1166.6803  0.0002 -7.0388 2    0.0000  3  97502 101 1           0            C8H-
    2333.3604  0.0003 -6.1358 2    0.0389  5  97502 101 2           1            C8H-
    3500.0404  0.0005 -5.6078 2    0.1167  7  97502 101 3           2            C8H-
    4666.7200  0.0006 -5.2332 2    0.2335  9  97502 101 4           3            C8H-
    5833.3992  0.0007 -4.9429 2    0.3892 11  97502 101 5           4            C8H-
    7000.0779  0.0008 -4.7058 2    0.5837 13  97502 101 6           5            C8H-
    8166.7560  0.0009 -4.5054 2    0.8172 15  97502 101 7           6            C8H-
    9333.4340  0.0020 -4.3321 2    1.0897 17 -97502 101 8           7            C8H-
   10500.1100  0.0020 -4.1793 2    1.4010 19 -97502 101 9           8            C8H-
   11666.7850  0.0020 -4.0428 2    1.7512 21 -97502 10110           9            C8H-
   12833.4600  0.0020 -3.9195 2    2.1404 23 -97502 10111          10            C8H-
   14000.1340  0.0020 -3.8070 2    2.5685 25 -97502 10112          11            C8H-
   15166.8060  0.0020 -3.7038 2    3.0355 27 -97502 10113          12            C8H-
   16333.4760  0.0020 -3.6083 2    3.5414 29 -97502 10114          13            C8H-
   17500.1470  0.0020 -3.5196 2    4.0862 31 -97502 10115          14            C8H-
   18666.8140  0.0020 -3.4368 2    4.6699 33 -97502 10116          15            C8H-
   19833.4804  0.0020 -3.3591 2    5.2926 35  97502 10117          16            C8H-
   21000.1449  0.0026 -3.2861 2    5.9542 37  97502 10118          17            C8H-
   22166.8076  0.0033 -3.2171 2    6.6547 39  97502 10119          18            C8H-
   23333.4683  0.0042 -3.1519 2    7.3941 41  97502 10120          19            C8H-
   24500.1270  0.0052 -3.0900 2    8.1724 43  97502 10121          20            C8H-
   25666.7835  0.0062 -3.0311 2    8.9896 45  97502 10122          21            C8H-
   26833.4377  0.0074 -2.9750 2    9.8458 47  97502 10123          22            C8H-
   28000.0896  0.0088 -2.9215 2   10.7408 49  97502 10124          23            C8H-
   29166.7390  0.0102 -2.8703 2   11.6748 51  97502 10125          24            C8H-
   30333.3858  0.0118 -2.8212 2   12.6477 53  97502 10126          25            C8H-
   31500.0300  0.0136 -2.7742 2   13.6595 55  97502 10127          26            C8H-
   32666.6713  0.0155 -2.7291 2   14.7103 57  97502 10128          27            C8H-
   33833.3098  0.0175 -2.6857 2   15.7999 59  97502 10129          28            C8H-
   34999.9453  0.0197 -2.6439 2   16.9285 61  97502 10130          29            C8H-
   36166.5778  0.0221 -2.6036 2   18.0959 63  97502 10131          30            C8H-
   37333.2070  0.0246 -2.5648 2   19.3023 65  97502 10132          31            C8H-
   38499.8330  0.0273 -2.5274 2   20.5476 67  97502 10133          32            C8H-
   39666.4555  0.0302 -2.4912 2   21.8318 69  97502 10134          33            C8H-
   40833.0746  0.0332 -2.4562 2   23.1550 71  97502 10135          34            C8H-
   41999.6900  0.0365 -2.4224 2   24.5170 73  97502 10136          35            C8H-
   43166.3018  0.0400 -2.3896 2   25.9180 75  97502 10137          36            C8H-
   44332.9097  0.0436 -2.3579 2   27.3579 77  97502 10138          37            C8H-
   45499.5137  0.0475 -2.3272 2   28.8366 79  97502 10139          38            C8H-
   46666.1138  0.0515 -2.2974 2   30.3543 81  97502 10140          39            C8H-
   47832.7097  0.0558 -2.2685 2   31.9110 83  97502 10141          40            C8H-
   48999.3014  0.0604 -2.2405 2   33.5065 85  97502 10142          41            C8H-
   50165.8887  0.0651 -2.2133 2   35.1409 87  97502 10143          42            C8H-
   51332.4717  0.0701 -2.1869 2   36.8143 89  97502 10144          43            C8H-
   52499.0501  0.0753 -2.1612 2   38.5265 91  97502 10145          44            C8H-
   53665.6239  0.0807 -2.1363 2   40.2777 93  97502 10146          45            C8H-
   54832.1930  0.0864 -2.1120 2   42.0678 95  97502 10147          46            C8H-
   55998.7572  0.0924 -2.0884 2   43.8968 97  97502 10148          47            C8H-
   57165.3165  0.0986 -2.0655 2   45.7647 99  97502 10149          48            C8H-
   58331.8708  0.1051 -2.0432 2   47.6716101  97502 10150          49            C8H-
   59498.4199  0.1119 -2.0215 2   49.6173103  97502 10151          50            C8H-
   60664.9637  0.1189 -2.0004 2   51.6020105  97502 10152          51            C8H-
   61831.5022  0.1262 -1.9798 2   53.6255107  97502 10153          52            C8H-
   62998.0353  0.1338 -1.9598 2   55.6880109  97502 10154          53            C8H-
   64164.5628  0.1417 -1.9403 2   57.7894111  97502 10155          54            C8H-
   65331.0847  0.1499 -1.9213 2   59.9297113  97502 10156          55            C8H-
   66497.6008  0.1584 -1.9028 2   62.1089115  97502 10157          56            C8H-
   67664.1110  0.1672 -1.8848 2   64.3270117  97502 10158          57            C8H-
   68830.6152  0.1764 -1.8673 2   66.5841119  97502 10159          58            C8H-
   69997.1134  0.1858 -1.8502 2   68.8800121  97502 10160          59            C8H-
   71163.6055  0.1956 -1.8336 2   71.2148123  97502 10161          60            C8H-
   72330.0912  0.2057 -1.8174 2   73.5886125  97502 10162          61            C8H-
   73496.5706  0.2161 -1.8016 2   76.0013127  97502 10163          62            C8H-
   74663.0435  0.2269 -1.7863 2   78.4529129  97502 10164          63            C8H-
   75829.5098  0.2380 -1.7713 2   80.9434131  97502 10165          64            C8H-
   76995.9694  0.2495 -1.7567 2   83.4728133  97502 10166          65            C8H-
   78162.4222  0.2614 -1.7425 2   86.0411135  97502 10167          66            C8H-
   79328.8682  0.2736 -1.7287 2   88.6483137  97502 10168          67            C8H-
   80495.3071  0.2861 -1.7152 2   91.2944139  97502 10169          68            C8H-
   81661.7390  0.2991 -1.7021 2   93.9794141  97502 10170          69            C8H-
   82828.1636  0.3124 -1.6893 2   96.7034143  97502 10171          70            C8H-
   83994.5810  0.3261 -1.6769 2   99.4662145  97502 10172          71            C8H-
   85160.9909  0.3402 -1.6648 2  102.2680147  97502 10173          72            C8H-
   86327.3933  0.3547 -1.6530 2  105.1087149  97502 10174          73            C8H-
   87493.7881  0.3696 -1.6416 2  107.9882151  97502 10175          74            C8H-
   88660.1752  0.3849 -1.6305 2  110.9067153  97502 10176          75            C8H-
   89826.5545  0.4006 -1.6196 2  113.8641155  97502 10177          76            C8H-
   90992.9259  0.4168 -1.6091 2  116.8604157  97502 10178          77            C8H-
   92159.2892  0.4333 -1.5989 2  119.8956159  97502 10179          78            C8H-
   93325.6445  0.4503 -1.5889 2  122.9697161  97502 10180          79            C8H-
   94491.9914  0.4677 -1.5793 2  126.0827163  97502 10181          80            C8H-
   95658.3301  0.4856 -1.5699 2  129.2346165  97502 10182          81            C8H-
   96824.6603  0.5039 -1.5608 2  132.4254167  97502 10183          82            C8H-
   97990.9820  0.5227 -1.5520 2  135.6552169  97502 10184          83            C8H-
   99157.2951  0.5419 -1.5434 2  138.9238171  97502 10185          84            C8H-
  100323.5994  0.5616 -1.5351 2  142.2313173  97502 10186          85            C8H-
  101489.8948  0.5817 -1.5270 2  145.5777175  97502 10187          86            C8H-
  102656.1813  0.6023 -1.5192 2  148.9631177  97502 10188          87            C8H-
  103822.4588  0.6234 -1.5117 2  152.3873179  97502 10189          88            C8H-
  104988.7271  0.6450 -1.5044 2  155.8505181  97502 10190          89            C8H-
  106154.9861  0.6671 -1.4973 2  159.3525183  97502 10191          90            C8H-
  107321.2358  0.6896 -1.4905 2  162.8935185  97502 10192          91            C8H-
  108487.4760  0.7127 -1.4839 2  166.4733187  97502 10193          92            C8H-
  109653.7067  0.7362 -1.4776 2  170.0921189  97502 10194          93            C8H-
  110819.9276  0.7603 -1.4714 2  173.7497191  97502 10195          94            C8H-
  111986.1389  0.7849 -1.4655 2  177.4463193  97502 10196          95            C8H-
  113152.3402  0.8100 -1.4599 2  181.1817195  97502 10197          96            C8H-
  114318.5316  0.8356 -1.4544 2  184.9561197  97502 10198          97            C8H-
  115484.7128  0.8618 -1.4492 2  188.7693199  97502 10199          98            C8H-
  116650.8839  0.8885 -1.4441 2  192.6215201  97502 101A0          99            C8H-
  117817.0447  0.9157 -1.4393 2  196.5126203  97502 101A1          A0            C8H-
  118983.1952  0.9435 -1.4347 2  200.4425205  97502 101A2          A1            C8H-
  120149.3351  0.9719 -1.4303 2  204.4114207  97502 101A3          A2            C8H-
  121315.4644  1.0008 -1.4261 2  208.4191209  97502 101A4          A3            C8H-
  122481.5831  1.0303 -1.4221 2  212.4658211  97502 101A5          A4            C8H-
  123647.6909  1.0603 -1.4183 2  216.5513213  97502 101A6          A5            C8H-
  124813.7878  1.0909 -1.4147 2  220.6757215  97502 101A7          A6            C8H-
  125979.8738  1.1221 -1.4113 2  224.8391217  97502 101A8          A7            C8H-
  127145.9486  1.1539 -1.4081 2  229.0413219  97502 101A9          A8            C8H-
  128312.0122  1.1863 -1.4051 2  233.2825221  97502 101B0          A9            C8H-
  129478.0645  1.2192 -1.4022 2  237.5625223  97502 101B1          B0            C8H-
  130644.1054  1.2528 -1.3996 2  241.8814225  97502 101B2          B1            C8H-
  131810.1347  1.2870 -1.3971 2  246.2392227  97502 101B3          B2            C8H-
  132976.1524  1.3218 -1.3948 2  250.6359229  97502 101B4          B3            C8H-
  134142.1584  1.3572 -1.3928 2  255.0715231  97502 101B5          B4            C8H-
  135308.1526  1.3932 -1.3908 2  259.5460233  97502 101B6          B5            C8H-
  136474.1349  1.4299 -1.3891 2  264.0594235  97502 101B7          B6            C8H-
  137640.1051  1.4672 -1.3875 2  268.6117237  97502 101B8          B7            C8H-
  138806.0631  1.5051 -1.3861 2  273.2029239  97502 101B9          B8            C8H-
  139972.0090  1.5437 -1.3849 2  277.8330241  97502 101C0          B9            C8H-
  141137.9425  1.5830 -1.3839 2  282.5019243  97502 101C1          C0            C8H-
  142303.8635  1.6229 -1.3830 2  287.2098245  97502 101C2          C1            C8H-
  143469.7720  1.6634 -1.3823 2  291.9565247  97502 101C3          C2            C8H-
  144635.6678  1.7046 -1.3818 2  296.7422249  97502 101C4          C3            C8H-
  145801.5509  1.7465 -1.3814 2  301.5667251  97502 101C5          C4            C8H-
  146967.4212  1.7891 -1.3812 2  306.4301253  97502 101C6          C5            C8H-
  148133.2784  1.8324 -1.3811 2  311.3324255  97502 101C7          C6            C8H-
  149299.1226  1.8763 -1.3813 2  316.2736257  97502 101C8          C7            C8H-
  150464.9537  1.9210 -1.3815 2  321.2537259  97502 101C9          C8            C8H-
  151630.7714  1.9663 -1.3820 2  326.2727261  97502 101D0          C9            C8H-
  152796.5758  2.0124 -1.3826 2  331.3305263  97502 101D1          D0            C8H-
  153962.3668  2.0591 -1.3833 2  336.4273265  97502 101D2          D1            C8H-
  155128.1441  2.1066 -1.3842 2  341.5629267  97502 101D3          D2            C8H-
  156293.9078  2.1548 -1.3853 2  346.7374269  97502 101D4          D3            C8H-
  157459.6576  2.2037 -1.3865 2  351.9508271  97502 101D5          D4            C8H-
  158625.3936  2.2534 -1.3879 2  357.2031273  97502 101D6          D5            C8H-
  159791.1157  2.3038 -1.3894 2  362.4943275  97502 101D7          D6            C8H-
  160956.8236  2.3549 -1.3911 2  367.8244277  97502 101D8          D7            C8H-
  162122.5173  2.4068 -1.3929 2  373.1933279  97502 101D9          D8            C8H-
  163288.1967  2.4594 -1.3948 2  378.6011281  97502 101E0          D9            C8H-
  164453.8617  2.5128 -1.3970 2  384.0478283  97502 101E1          E0            C8H-
  165619.5122  2.5670 -1.3992 2  389.5334285  97502 101E2          E1            C8H-
  166785.1482  2.6219 -1.4016 2  395.0579287  97502 101E3          E2            C8H-
  167950.7694  2.6776 -1.4042 2  400.6212289  97502 101E4          E3            C8H-
  169116.3758  2.7341 -1.4069 2  406.2235291  97502 101E5          E4            C8H-
  170281.9672  2.7914 -1.4097 2  411.8646293  97502 101E6          E5            C8H-
  171447.5437  2.8495 -1.4127 2  417.5446295  97502 101E7          E6            C8H-
  172613.1050  2.9084 -1.4158 2  423.2635297  97502 101E8          E7            C8H-
  173778.6511  2.9680 -1.4191 2  429.0212299  97502 101E9          E8            C8H-
  174944.1819  3.0285 -1.4225 2  434.8178301  97502 101F0          E9            C8H-
  176109.6973  3.0898 -1.4260 2  440.6534303  97502 101F1          F0            C8H-
  177275.1971  3.1519 -1.4297 2  446.5277305  97502 101F2          F1            C8H-
  178440.6813  3.2149 -1.4335 2  452.4410307  97502 101F3          F2            C8H-
  179606.1498  3.2787 -1.4375 2  458.3932309  97502 101F4          F3            C8H-
  180771.6024  3.3433 -1.4416 2  464.3842311  97502 101F5          F4            C8H-
  181937.0391  3.4087 -1.4458 2  470.4141313  97502 101F6          F5            C8H-
  183102.4597  3.4750 -1.4502 2  476.4828315  97502 101F7          F6            C8H-
  184267.8642  3.5422 -1.4546 2  482.5905317  97502 101F8          F7            C8H-
  185433.2524  3.6102 -1.4593 2  488.7370319  97502 101F9          F8            C8H-
  186598.6242  3.6790 -1.4640 2  494.9224321  97502 101G0          F9            C8H-
  187763.9797  3.7488 -1.4689 2  501.1466323  97502 101G1          G0            C8H-
  188929.3185  3.8194 -1.4739 2  507.4098325  97502 101G2          G1            C8H-
  190094.6407  3.8909 -1.4791 2  513.7118327  97502 101G3          G2            C8H-
  191259.9461  3.9632 -1.4844 2  520.0526329  97502 101G4          G3            C8H-
  192425.2347  4.0365 -1.4898 2  526.4324331  97502 101G5          G4            C8H-
  193590.5062  4.1107 -1.4953 2  532.8510333  97502 101G6          G5            C8H-
  194755.7607  4.1857 -1.5010 2  539.3085335  97502 101G7          G6            C8H-
  195920.9981  4.2617 -1.5068 2  545.8048337  97502 101G8          G7            C8H-
  197086.2181  4.3386 -1.5127 2  552.3401339  97502 101G9          G8            C8H-
  198251.4208  4.4163 -1.5188 2  558.9141341  97502 101H0          G9            C8H-
  199416.6060  4.4951 -1.5250 2  565.5271343  97502 101H1          H0            C8H-
  200581.7735  4.5747 -1.5313 2  572.1789345  97502 101H2          H1            C8H-
  201746.9234  4.6553 -1.5377 2  578.8696347  97502 101H3          H2            C8H-
  202912.0555  4.7368 -1.5442 2  585.5992349  97502 101H4          H3            C8H-
  204077.1697  4.8193 -1.5509 2  592.3676351  97502 101H5          H4            C8H-
  205242.2659  4.9027 -1.5577 2  599.1749353  97502 101H6          H5            C8H-
  206407.3440  4.9870 -1.5646 2  606.0210355  97502 101H7          H6            C8H-
  207572.4039  5.0724 -1.5717 2  612.9060357  97502 101H8          H7            C8H-
  208737.4455  5.1587 -1.5788 2  619.8299359  97502 101H9          H8            C8H-
  209902.4687  5.2459 -1.5861 2  626.7926361  97502 101I0          H9            C8H-
  211067.4733  5.3342 -1.5935 2  633.7942363  97502 101I1          I0            C8H-
  212232.4594  5.4234 -1.6011 2  640.8347365  97502 101I2          I1            C8H-
  213397.4267  5.5136 -1.6087 2  647.9140367  97502 101I3          I2            C8H-
  214562.3752  5.6048 -1.6165 2  655.0321369  97502 101I4          I3            C8H-
  215727.3048  5.6970 -1.6244 2  662.1892371  97502 101I5          I4            C8H-
  216892.2153  5.7902 -1.6324 2  669.3851373  97502 101I6          I5            C8H-
  218057.1067  5.8844 -1.6405 2  676.6198375  97502 101I7          I6            C8H-
  219221.9789  5.9796 -1.6488 2  683.8934377  97502 101I8          I7            C8H-
  220386.8317  6.0759 -1.6571 2  691.2059379  97502 101I9          I8            C8H-
  221551.6651  6.1732 -1.6656 2  698.5572381  97502 101J0          I9            C8H-
  222716.4790  6.2715 -1.6742 2  705.9474383  97502 101J1          J0            C8H-
  223881.2732  6.3708 -1.6829 2  713.3764385  97502 101J2          J1            C8H-
  225046.0476  6.4712 -1.6918 2  720.8443387  97502 101J3          J2            C8H-
  226210.8022  6.5726 -1.7007 2  728.3510389  97502 101J4          J3            C8H-
  227375.5369  6.6751 -1.7098 2  735.8966391  97502 101J5          J4            C8H-
  228540.2515  6.7787 -1.7189 2  743.4810393  97502 101J6          J5            C8H-
  229704.9459  6.8833 -1.7282 2  751.1043395  97502 101J7          J6            C8H-
  230869.6200  6.9890 -1.7376 2  758.7664397  97502 101J8          J7            C8H-
  232034.2738  7.0957 -1.7472 2  766.4674399  97502 101J9          J8            C8H-
  233198.9072  7.2035 -1.7568 2  774.2072401  97502 101K0          J9            C8H-
  234363.5199  7.3124 -1.7666 2  781.9859403  97502 101K1          K0            C8H-
  235528.1120  7.4225 -1.7764 2  789.8034405  97502 101K2          K1            C8H-
  236692.6833  7.5336 -1.7864 2  797.6598407  97502 101K3          K2            C8H-
  237857.2337  7.6458 -1.7965 2  805.5550409  97502 101K4          K3            C8H-
  239021.7632  7.7591 -1.8067 2  813.4891411  97502 101K5          K4            C8H-
  240186.2715  7.8735 -1.8170 2  821.4620413  97502 101K6          K5            C8H-
  241350.7587  7.9890 -1.8274 2  829.4737415  97502 101K7          K6            C8H-
  242515.2246  8.1057 -1.8379 2  837.5243417  97502 101K8          K7            C8H-
  243679.6690  8.2235 -1.8486 2  845.6138419  97502 101K9          K8            C8H-
  244844.0920  8.3424 -1.8593 2  853.7420421  97502 101L0          K9            C8H-
  246008.4934  8.4625 -1.8702 2  861.9092423  97502 101L1          L0            C8H-
  247172.8731  8.5837 -1.8812 2  870.1151425  97502 101L2          L1            C8H-
  248337.2309  8.7061 -1.8923 2  878.3599427  97502 101L3          L2            C8H-
  249501.5669  8.8296 -1.9035 2  886.6436429  97502 101L4          L3            C8H-
  250665.8809  8.9543 -1.9148 2  894.9660431  97502 101L5          L4            C8H-
  251830.1727  9.0801 -1.9262 2  903.3274433  97502 101L6          L5            C8H-
  252994.4423  9.2071 -1.9377 2  911.7275435  97502 101L7          L6            C8H-
  254158.6896  9.3353 -1.9494 2  920.1665437  97502 101L8          L7            C8H-
  255322.9145  9.4647 -1.9611 2  928.6443439  97502 101L9          L8            C8H-
  256487.1168  9.5953 -1.9729 2  937.1610441  97502 101M0          L9            C8H-
  257651.2965  9.7270 -1.9849 2  945.7165443  97502 101M1          M0            C8H-
  258815.4535  9.8600 -1.9970 2  954.3108445  97502 101M2          M1            C8H-
  259979.5876  9.9942 -2.0091 2  962.9439447  97502 101M3          M2            C8H-
  261143.6989 10.1295 -2.0214 2  971.6159449  97502 101M4          M3            C8H-
  262307.7870 10.2661 -2.0338 2  980.3267451  97502 101M5          M4            C8H-
  263471.8520 10.4039 -2.0463 2  989.0764453  97502 101M6          M5            C8H-
  264635.8938 10.5430 -2.0589 2  997.8649455  97502 101M7          M6            C8H-
  265799.9122 10.6832 -2.0716 2 1006.6922457  97502 101M8          M7            C8H-
  266963.9072 10.8247 -2.0844 2 1015.5583459  97502 101M9          M8            C8H-
  268127.8786 10.9675 -2.0973 2 1024.4632461  97502 101N0          M9            C8H-
  269291.8264 11.1115 -2.1103 2 1033.4070463  97502 101N1          N0            C8H-
  270455.7504 11.2567 -2.1235 2 1042.3896465  97502 101N2          N1            C8H-
  271619.6505 11.4033 -2.1367 2 1051.4111467  97502 101N3          N2            C8H-
  272783.5267 11.5510 -2.1500 2 1060.4713469  97502 101N4          N3            C8H-
  273947.3788 11.7001 -2.1635 2 1069.5704471  97502 101N5          N4            C8H-
  275111.2067 11.8504 -2.1770 2 1078.7083473  97502 101N6          N5            C8H-
  276275.0104 12.0020 -2.1907 2 1087.8850475  97502 101N7          N6            C8H-
  277438.7897 12.1549 -2.2044 2 1097.1006477  97502 101N8          N7            C8H-
  278602.5445 12.3091 -2.2183 2 1106.3549479  97502 101N9          N8            C8H-
  279766.2747 12.4645 -2.2323 2 1115.6481481  97502 101O0          N9            C8H-
  280929.9802 12.6213 -2.2463 2 1124.9801483  97502 101O1          O0            C8H-
  282093.6610 12.7794 -2.2605 2 1134.3509485  97502 101O2          O1            C8H-
  283257.3168 12.9388 -2.2748 2 1143.7606487  97502 101O3          O2            C8H-
  284420.9476 13.0995 -2.2891 2 1153.2090489  97502 101O4          O3            C8H-
  285584.5534 13.2616 -2.3036 2 1162.6963491  97502 101O5          O4            C8H-
  286748.1339 13.4249 -2.3182 2 1172.2223493  97502 101O6          O5            C8H-
  287911.6892 13.5896 -2.3329 2 1181.7872495  97502 101O7          O6            C8H-