2402.8496  0.0004 -7.9648 3   15.9500 19  58516 303 9 2 7       9 2 8        C-13-H3C-13-H2C-13-N
    2695.6443  0.0006 -7.8606 3   50.9162 35  58516 30317 314      17 315        C-13-H3C-13-H2C-13-N
    2831.3807  0.0003 -7.9446 3    2.4290  7  58516 303 3 1 2       3 1 3        C-13-H3C-13-H2C-13-N
    3153.7022  0.0007 -7.7954 3  113.4361 53  58516 30326 422      26 423        C-13-H3C-13-H2C-13-N
    3157.1418  0.0006 -7.9177 3  200.8932 71  58516 30335 530      35 531        C-13-H3C-13-H2C-13-N
    3562.9241  0.0006 -7.6769 3   18.8273 21  58516 30310 2 8      10 2 9        C-13-H3C-13-H2C-13-N
    3718.4974  0.0008 -7.6212 3   56.1201 37  58516 30318 315      18 316        C-13-H3C-13-H2C-13-N
    4089.7803  0.0008 -7.7318 3  211.3304 73  58516 30336 531      36 532        C-13-H3C-13-H2C-13-N
    4173.4928  0.0009 -7.5896 3  121.2573 55  58516 30327 423      27 424        C-13-H3C-13-H2C-13-N
    4685.5442  0.0008 -7.8386 3  339.6316 93  58516 30346 640      46 641        C-13-H3C-13-H2C-13-N
    4718.3655  0.0005 -7.6160 3    3.5506  9  58516 303 4 1 3       4 1 4        C-13-H3C-13-H2C-13-N
    5024.1216  0.0010 -7.4001 3   61.6128 39  58516 30319 316      19 317        C-13-H3C-13-H2C-13-N
    5071.2185  0.0008 -7.4222 3   21.9908 23  58516 30311 2 9      11 210        C-13-H3C-13-H2C-13-N
    5246.8541  0.0009 -7.5551 3  222.0587 75  58516 30337 532      37 533        C-13-H3C-13-H2C-13-N
    5405.1026  0.0018 -7.8676 3   33.0123 29  58516 30314 213      13 310        C-13-H3C-13-H2C-13-N
    5450.6463  0.0011 -7.3962 3  129.3687 57  58516 30328 424      28 425        C-13-H3C-13-H2C-13-N
    5899.3734  0.0010 -7.6818 3  353.2627 95  58516 30347 641      47 642        C-13-H3C-13-H2C-13-N
    6021.5430  0.0020 -7.7883 3  261.6950 79  58516 30339 733      38 830        C-13-H3C-13-H2C-13-N
    6060.8470  0.0021 -7.7161 3   51.0062 33  58516 30316 413      17 314        C-13-H3C-13-H2C-13-N
    6065.9219  0.0020 -7.7819 3  261.6949 79  58516 30339 732      38 831        C-13-H3C-13-H2C-13-N
    6147.9442  0.0014 -7.9400 3  514.7840115  58516 30357 750      57 751        C-13-H3C-13-H2C-13-N
    6658.9965  0.0013 -7.1960 3   67.3938 41  58516 30320 317      20 318        C-13-H3C-13-H2C-13-N
    6667.8261  0.0011 -7.3877 3  233.0778 77  58516 30338 533      38 534        C-13-H3C-13-H2C-13-N
    6971.8333  0.0011 -7.1960 3   25.4398 25  58516 30312 210      12 211        C-13-H3C-13-H2C-13-N
    7028.8970  0.0013 -7.2146 3  137.7700 59  58516 30329 425      29 426        C-13-H3C-13-H2C-13-N
    7075.8662  0.0007 -7.3556 3    4.9521 11  58516 303 5 1 4       5 1 5        C-13-H3C-13-H2C-13-N
    7197.3805  0.0020 -7.5608 3  198.5576 69  58516 30334 629      33 726        C-13-H3C-13-H2C-13-N
    7357.2427  0.0020 -7.5417 3  198.5574 69  58516 30334 628      33 727        C-13-H3C-13-H2C-13-N
    7372.5507  0.0011 -7.5325 3  367.1849 97  58516 30348 642      48 643        C-13-H3C-13-H2C-13-N
    7441.6336  0.0020 -7.5872 3   29.2360 27  58516 30313 211      12 310        C-13-H3C-13-H2C-13-N
    7591.6533  0.0015 -7.8482 3   10.8330 15  58516 303 7 2 5       8 1 8        C-13-H3C-13-H2C-13-N
    7595.1647  0.0017 -7.8050 3  531.6007117  58516 30358 751      58 752        C-13-H3C-13-H2C-13-N
    8100.1257  0.0023 -7.4224 3   85.0864 43  58516 30321 517      22 418        C-13-H3C-13-H2C-13-N
    8207.0673  0.0022 -7.4018 3  144.1143 59  58516 30329 525      28 622        C-13-H3C-13-H2C-13-N
    8215.9905  0.0024 -7.7288 3   18.9462 23  58516 30311 111      10 2 8        C-13-H3C-13-H2C-13-N
    8319.8556  0.0021 -7.4031 3   61.3352 39  58516 30319 317      18 414        C-13-H3C-13-H2C-13-N
    8395.1621  0.0012 -7.2293 3  244.3874 79  58516 30339 534      39 535        C-13-H3C-13-H2C-13-N
    8645.6506  0.0001 -6.7361 3    0.0000  3  58516 303 1 0 1       0 0 0        C-13-H3C-13-H2C-13-N
    8669.0693  0.0016 -7.0082 3   73.4629 43  58516 30321 318      21 319        C-13-H3C-13-H2C-13-N
    8757.9469  0.0022 -7.3452 3  144.1138 59  58516 30329 524      28 623        C-13-H3C-13-H2C-13-N
    8801.1377  0.0022 -7.3277 3   98.3715 49  58516 30324 421      23 518        C-13-H3C-13-H2C-13-N
    8831.1774  0.0021 -7.3925 3   50.9162 33  58516 30316 412      17 315        C-13-H3C-13-H2C-13-N
    8953.6972  0.0015 -7.0446 3  146.4608 61  58516 30330 426      30 427        C-13-H3C-13-H2C-13-N
    9011.6028  0.0022 -7.3303 3   85.0568 43  58516 30321 516      22 419        C-13-H3C-13-H2C-13-N
    9145.7052  0.0013 -7.3907 3  381.3977 99  58516 30349 643      49 644        C-13-H3C-13-H2C-13-N
    9302.2786  0.0014 -6.9945 3   29.1739 27  58516 30313 211      13 212        C-13-H3C-13-H2C-13-N
    9325.6711  0.0020 -7.6762 3  548.7079119  58516 30359 752      59 753        C-13-H3C-13-H2C-13-N
    9364.5464  0.0024 -7.9589 3  618.0543121  58516 303601150      591247        C-13-H3C-13-H2C-13-N
    9364.8257  0.0024 -7.9588 3  618.0543121  58516 303601149      591248        C-13-H3C-13-H2C-13-N
    9524.1682  0.0022 -7.2809 3  127.8932 53  58516 30326 621      27 522        C-13-H3C-13-H2C-13-N
    9799.4104  0.0022 -7.2563 3  127.8843 53  58516 30326 620      27 523        C-13-H3C-13-H2C-13-N
    9902.2547  0.0009 -7.1403 3    6.6332 13  58516 303 6 1 5       6 1 6        C-13-H3C-13-H2C-13-N
   10074.5164  0.0017 -7.3899 3   25.4398 23  58516 30311 3 8      12 211        C-13-H3C-13-H2C-13-N
   10288.7864  0.0013 -7.4068 3   11.0552 17  58516 303 8 1 7       7 2 6        C-13-H3C-13-H2C-13-N
   10363.4214  0.0011 -7.6111 3    6.9635 11  58516 303 5 2 4       6 1 5        C-13-H3C-13-H2C-13-N
   10473.4547  0.0014 -7.0800 3  255.9871 81  58516 30340 535      40 536        C-13-H3C-13-H2C-13-N
   10583.8971  0.0022 -7.1663 3   98.3696 49  58516 30324 420      23 519        C-13-H3C-13-H2C-13-N
   10744.7197  0.0021 -7.2090 3  179.4087 63  58516 30331 725      32 626        C-13-H3C-13-H2C-13-N
   10823.4196  0.0021 -7.2027 3  179.4061 63  58516 30331 724      32 627        C-13-H3C-13-H2C-13-N
   10905.3898  0.0023 -7.6572 3  518.7851111  58516 303551046      541143        C-13-H3C-13-H2C-13-N
   10906.5135  0.0023 -7.6571 3  518.7851111  58516 303551045      541144        C-13-H3C-13-H2C-13-N
   10914.5645  0.0044 -7.9632 3  766.4815141  58516 30370 862      70 863        C-13-H3C-13-H2C-13-N
   11097.6590  0.0019 -6.8355 3   79.8195 45  58516 30322 319      22 320        C-13-H3C-13-H2C-13-N
   11261.9823  0.0016 -7.2563 3  395.9008101  58516 30350 644      50 645        C-13-H3C-13-H2C-13-N
   11270.7108  0.0018 -6.8860 3  155.4408 63  58516 30331 427      31 428        C-13-H3C-13-H2C-13-N
   11380.2575  0.0023 -7.5539 3  566.1052121  58516 30360 753      60 754        C-13-H3C-13-H2C-13-N
   11931.0998  0.0020 -7.1799 3  239.6217 73  58516 30336 829      37 730        C-13-H3C-13-H2C-13-N
   11952.7298  0.0020 -7.1783 3  239.6210 73  58516 30336 828      37 731        C-13-H3C-13-H2C-13-N
   12091.9979  0.0018 -6.8146 3   33.1926 29  58516 30314 212      14 213        C-13-H3C-13-H2C-13-N
   12321.0569  0.0029 -7.3875 3   22.1599 25  58516 30312 112      11 2 9        C-13-H3C-13-H2C-13-N
   12364.0747  0.0022 -7.4003 3  428.1743101  58516 30350 942      491039        C-13-H3C-13-H2C-13-N
   12368.4878  0.0022 -7.4000 3  428.1743101  58516 30350 941      491040        C-13-H3C-13-H2C-13-N
   12772.1930  0.0019 -7.1003 3   37.0693 31  58516 30315 214      14 311        C-13-H3C-13-H2C-13-N
   12912.3912  0.0017 -7.2041 3   22.1599 21  58516 30310 3 8      11 2 9        C-13-H3C-13-H2C-13-N
   12948.2279  0.0016 -6.9397 3  267.8766 83  58516 30341 536      41 537        C-13-H3C-13-H2C-13-N
   13145.3972  0.0020 -7.1838 3  308.5238 83  58516 30341 933      42 834        C-13-H3C-13-H2C-13-N
   13151.1581  0.0020 -7.1834 3  308.5236 83  58516 30341 932      42 835        C-13-H3C-13-H2C-13-N
   13160.0748  0.0053 -7.8568 3  787.0499143  58516 30371 863      71 864        C-13-H3C-13-H2C-13-N
   13194.7753  0.0012 -6.9570 3    8.5937 15  58516 303 7 1 6       7 1 7        C-13-H3C-13-H2C-13-N
   13523.4532  0.0005 -7.1234 3    2.4290  9  58516 303 4 0 4       3 1 3        C-13-H3C-13-H2C-13-N
   13531.6588  0.0023 -6.9736 3   61.3290 39  58516 30319 316      18 415        C-13-H3C-13-H2C-13-N
   13746.3187  0.0021 -7.1827 3  346.2321 91  58516 30345 838      44 935        C-13-H3C-13-H2C-13-N
   13763.1965  0.0021 -7.1816 3  346.2321 91  58516 30345 837      44 936        C-13-H3C-13-H2C-13-N
   13766.1452  0.0018 -7.1295 3  410.6939103  58516 30351 645      51 646        C-13-H3C-13-H2C-13-N
   13801.9149  0.0028 -7.4380 3  583.7923123  58516 30361 754      61 755        C-13-H3C-13-H2C-13-N
   13853.3491  0.0013 -7.3790 3    8.5937 13  58516 303 6 2 4       7 1 7        C-13-H3C-13-H2C-13-N
   13983.3700  0.0023 -6.6772 3   86.4632 47  58516 30323 320      23 321        C-13-H3C-13-H2C-13-N
   14024.0322  0.0020 -6.7385 3  164.7095 65  58516 30332 428      32 429        C-13-H3C-13-H2C-13-N
   14364.2566  0.0085 -7.7519 3   70.7493 45  58516 30322 122      21 219        C-13-H3C-13-H2C-13-N
   14412.3875  0.0021 -7.2163 3  386.1066 93  58516 303461037      47 938        C-13-H3C-13-H2C-13-N
   14413.8814  0.0021 -7.2162 3  386.1066 93  58516 303461036      47 939        C-13-H3C-13-H2C-13-N
   15051.4273  0.0020 -7.0016 3  272.9673 81  58516 30340 734      39 831        C-13-H3C-13-H2C-13-N
   15114.0494  0.0020 -6.9980 3  272.9672 81  58516 30340 733      39 832        C-13-H3C-13-H2C-13-N
   15361.7172  0.0022 -6.6536 3   37.4953 31  58516 30315 213      15 214        C-13-H3C-13-H2C-13-N
   15536.2381  0.0021 -6.9266 3   46.0651 31  58516 30315 412      16 313        C-13-H3C-13-H2C-13-N
   15744.7803  0.0022 -7.2750 3  472.3614103  58516 303511141      521042        C-13-H3C-13-H2C-13-N
   15745.1586  0.0022 -7.2750 3  472.3614103  58516 303511140      521043        C-13-H3C-13-H2C-13-N
   15766.7925  0.0033 -7.1951 3   25.6724 27  58516 30313 113      12 210        C-13-H3C-13-H2C-13-N
   15783.1180  0.0063 -7.7561 3  807.9070145  58516 30372 864      72 865        C-13-H3C-13-H2C-13-N
   15864.4514  0.0019 -6.8083 3  280.0554 85  58516 30342 537      42 538        C-13-H3C-13-H2C-13-N
   16254.0168  0.0020 -6.8574 3  208.3880 71  58516 30335 630      34 727        C-13-H3C-13-H2C-13-N
   16478.0286  0.0020 -6.8454 3  208.3878 71  58516 30335 629      34 728        C-13-H3C-13-H2C-13-N
   16549.3204  0.0028 -7.6850 3  744.7129133  58516 303661255      651352        C-13-H3C-13-H2C-13-N
   16549.4168  0.0028 -7.6850 3  744.7129133  58516 303661254      651353        C-13-H3C-13-H2C-13-N
   16634.9687  0.0032 -7.3287 3  601.7687125  58516 30362 755      62 756        C-13-H3C-13-H2C-13-N
   16703.3965  0.0021 -7.0103 3  425.7764105  58516 30352 646      52 647        C-13-H3C-13-H2C-13-N
   16768.0826  0.0021 -6.7796 3   66.8345 41  58516 30320 318      19 415        C-13-H3C-13-H2C-13-N
   16819.4966  0.0002 -5.9844 3    1.0266  5  58516 303 2 1 2       1 1 1        C-13-H3C-13-H2C-13-N
   16949.1186  0.0015 -6.7977 3   10.8330 17  58516 303 8 1 7       8 1 8        C-13-H3C-13-H2C-13-N
   17151.3189  0.0024 -7.3583 3  567.2786113  58516 303561245      571146        C-13-H3C-13-H2C-13-N
   17151.4125  0.0024 -7.3583 3  567.2786113  58516 303561244      571147        C-13-H3C-13-H2C-13-N
   17248.1143  0.0021 -6.7552 3  152.5016 61  58516 30330 526      29 623        C-13-H3C-13-H2C-13-N
   17254.2692  0.0023 -6.6018 3  174.2663 67  58516 30333 429      33 430        C-13-H3C-13-H2C-13-N
   17272.4309  0.0023 -6.7805 3   78.7095 41  58516 30320 516      21 417        C-13-H3C-13-H2C-13-N
   17283.7656  0.0002 -5.8343 3    0.2884  5  58516 303 2 0 2       1 0 1        C-13-H3C-13-H2C-13-N
   17330.1013  0.0080 -7.5253 3   64.5504 43  58516 30321 121      20 218        C-13-H3C-13-H2C-13-N
   17358.2685  0.0026 -6.5325 3   93.3933 49  58516 30324 321      24 322        C-13-H3C-13-H2C-13-N
   17491.6616  0.0020 -6.8260 3   46.0014 31  58516 30315 411      16 314        C-13-H3C-13-H2C-13-N
   17701.6644  0.0022 -6.7129 3  105.3148 51  58516 30325 422      24 519        C-13-H3C-13-H2C-13-N
   17763.3357  0.0002 -5.9370 3    1.0423  5  58516 303 2 1 1       1 1 0        C-13-H3C-13-H2C-13-N
   17904.8122  0.0022 -7.9361 3   61.7804 41  58516 30320 119      19 316        C-13-H3C-13-H2C-13-N
   17907.6856  0.0023 -6.7495 3   78.6888 41  58516 30320 515      21 418        C-13-H3C-13-H2C-13-N
   18012.3551  0.0021 -6.7173 3  152.5008 61  58516 30330 525      29 624        C-13-H3C-13-H2C-13-N
   18075.5203  0.0021 -6.7772 3   32.9930 29  58516 30314 212      13 311        C-13-H3C-13-H2C-13-N
   18109.2093  0.0016 -6.9250 3   21.9908 21  58516 30310 3 7      11 210        C-13-H3C-13-H2C-13-N
   18231.7725  0.0024 -7.4069 3  635.3644123  58516 303611151      601248        C-13-H3C-13-H2C-13-N
   18232.1690  0.0024 -7.4069 3  635.3644123  58516 303611150      601249        C-13-H3C-13-H2C-13-N
   18517.3152  0.0039 -7.0869 3   29.4842 29  58516 30314 114      13 211        C-13-H3C-13-H2C-13-N
   18571.3581  0.0023 -6.7082 3  120.0754 51  58516 30325 620      26 521        C-13-H3C-13-H2C-13-N
   18639.2474  0.0026 -7.4651 3  670.8476123  58516 303611349      621250        C-13-H3C-13-H2C-13-N
   18639.2701  0.0026 -7.4651 3  670.8476123  58516 303611348      621251        C-13-H3C-13-H2C-13-N
   18724.9730  0.0083 -7.9413 3  270.8686 85  58516 30342 339      43 242        C-13-H3C-13-H2C-13-N
   18761.8224  0.0022 -6.6994 3  120.0692 51  58516 30325 619      26 522        C-13-H3C-13-H2C-13-N
   18827.0242  0.0075 -7.6612 3  829.0526147  58516 30373 865      73 866        C-13-H3C-13-H2C-13-N
   19123.5695  0.0026 -6.5091 3   42.0814 33  58516 30316 214      16 215        C-13-H3C-13-H2C-13-N
   19230.3457  0.0079 -7.6559 3  212.7835 77  58516 30338 237      37 334        C-13-H3C-13-H2C-13-N
   19264.8386  0.0021 -6.6859 3  292.5229 87  58516 30343 538      43 539        C-13-H3C-13-H2C-13-N
   19643.1408  0.0075 -7.3532 3   58.6468 41  58516 30320 120      19 217        C-13-H3C-13-H2C-13-N
   19734.9491  0.0021 -6.6814 3  170.1486 61  58516 30330 724      31 625        C-13-H3C-13-H2C-13-N
   19789.1708  0.0021 -6.6791 3  170.1469 61  58516 30330 723      31 626        C-13-H3C-13-H2C-13-N
   19823.6796  0.0023 -7.1610 3  534.6612113  58516 303561047      551144        C-13-H3C-13-H2C-13-N
   19825.2715  0.0023 -7.1609 3  534.6612113  58516 303561046      551145        C-13-H3C-13-H2C-13-N
   19831.8669  0.0021 -6.7045 3   41.4199 33  58516 30316 215      15 312        C-13-H3C-13-H2C-13-N
   19923.9697  0.0038 -7.2260 3  620.0339127  58516 30363 756      63 757        C-13-H3C-13-H2C-13-N
   20117.9512  0.0024 -6.8986 3  441.1479107  58516 30353 647      53 648        C-13-H3C-13-H2C-13-N
   20137.4797  0.0022 -6.5992 3  105.3120 51  58516 30325 421      24 520        C-13-H3C-13-H2C-13-N
   20215.0487  0.0031 -7.5945 3  783.0571133  58516 303661453      671354        C-13-H3C-13-H2C-13-N
   20215.0541  0.0031 -7.5945 3  783.0571133  58516 303661452      671355        C-13-H3C-13-H2C-13-N
   20376.8139  0.0010 -7.1724 3    5.1881  9  58516 303 4 2 3       5 1 4        C-13-H3C-13-H2C-13-N
   20526.2249  0.0012 -7.1175 3    6.6332 11  58516 303 5 2 3       6 1 6        C-13-H3C-13-H2C-13-N
   20546.2772  0.0044 -7.0363 3   33.5960 31  58516 30315 115      14 212        C-13-H3C-13-H2C-13-N
   20884.7926  0.0020 -6.6884 3  228.9200 71  58516 30335 828      36 729        C-13-H3C-13-H2C-13-N
   20899.6538  0.0020 -6.6878 3  228.9195 71  58516 30335 827      36 730        C-13-H3C-13-H2C-13-N
   20910.1519  0.0014 -6.7095 3   13.3591 19  58516 303 9 1 8       8 2 7        C-13-H3C-13-H2C-13-N
   20996.6733  0.0026 -6.4756 3  184.1107 69  58516 30334 430      34 431        C-13-H3C-13-H2C-13-N
   21153.3657  0.0107 -7.8256 3  121.5701 57  58516 30328 226      29 129        C-13-H3C-13-H2C-13-N
   21158.9381  0.0019 -6.6569 3   13.3508 19  58516 303 9 1 8       9 1 9        C-13-H3C-13-H2C-13-N
   21246.5448  0.0030 -6.4005 3  100.6093 51  58516 30325 322      25 323        C-13-H3C-13-H2C-13-N
   21272.5781  0.0069 -7.2219 3   53.0396 39  58516 30319 119      18 216        C-13-H3C-13-H2C-13-N
   21332.1011  0.0022 -6.9455 3  442.6145103  58516 30351 943      501040        C-13-H3C-13-H2C-13-N
   21338.3333  0.0022 -6.9452 3  442.6145103  58516 30351 942      501041        C-13-H3C-13-H2C-13-N
   21837.5920  0.0050 -7.0301 3   38.0077 33  58516 30316 116      15 213        C-13-H3C-13-H2C-13-N
   21884.6654  0.0038 -7.7459 3  903.8949143  58516 303711557      721458        C-13-H3C-13-H2C-13-N
   21884.6667  0.0038 -7.7459 3  903.8949143  58516 303711556      721459        C-13-H3C-13-H2C-13-N
   22066.5984  0.0020 -6.7236 3  296.3816 81  58516 30340 932      41 833        C-13-H3C-13-H2C-13-N
   22070.5498  0.0020 -6.7235 3  296.3815 81  58516 30340 931      41 834        C-13-H3C-13-H2C-13-N
   22193.0289  0.0063 -7.1252 3   47.7302 37  58516 30318 118      17 215        C-13-H3C-13-H2C-13-N
   22335.3887  0.0088 -7.5722 3  850.4860149  58516 30374 866      74 867        C-13-H3C-13-H2C-13-N
   22385.3358  0.0057 -7.0609 3   42.7193 35  58516 30317 117      16 214        C-13-H3C-13-H2C-13-N
   22602.4694  0.0003 -6.7062 3    0.2884  3  58516 303 1 1 0       1 0 1        C-13-H3C-13-H2C-13-N
   22664.8188  0.0017 -6.7755 3   18.9462 19  58516 303 9 3 7      10 2 8        C-13-H3C-13-H2C-13-N
   22762.4764  0.0021 -6.7594 3  359.2341 93  58516 30346 839      45 936        C-13-H3C-13-H2C-13-N
   22786.2091  0.0021 -6.7585 3  359.2341 93  58516 30346 838      45 937        C-13-H3C-13-H2C-13-N
   22977.7581  0.0006 -6.5282 3    3.5506 11  58516 303 5 0 5       4 1 4        C-13-H3C-13-H2C-13-N
   23082.0394  0.0003 -6.4720 3    0.8649  5  58516 303 2 1 1       2 0 2        C-13-H3C-13-H2C-13-N
   23188.0539  0.0023 -6.5722 3  305.2786 89  58516 30344 539      44 540        C-13-H3C-13-H2C-13-N
   23299.9986  0.0021 -6.7842 3  372.5257 91  58516 303451036      46 937        C-13-H3C-13-H2C-13-N
   23301.0223  0.0021 -6.7842 3  372.5256 91  58516 303451035      46 938        C-13-H3C-13-H2C-13-N
   23381.7850  0.0030 -6.3792 3   46.9502 35  58516 30317 215      17 216        C-13-H3C-13-H2C-13-N
   23539.6082  0.0036 -7.6282 3  883.1518145  58516 303721360      711457        C-13-H3C-13-H2C-13-N
   23539.6406  0.0036 -7.6282 3  883.1518145  58516 303721359      711458        C-13-H3C-13-H2C-13-N
   23653.5658  0.0049 -7.9187 3 1033.3481153  58516 303761661      771562        C-13-H3C-13-H2C-13-N
   23653.5661  0.0049 -7.9187 3 1033.3481153  58516 303761660      771563        C-13-H3C-13-H2C-13-N
   23712.3656  0.0044 -7.1299 3  638.5874129  58516 30364 757      64 758        C-13-H3C-13-H2C-13-N
   23713.0476  0.0024 -6.4687 3   66.8250 41  58516 30320 317      19 416        C-13-H3C-13-H2C-13-N
   23815.3046  0.0003 -6.3076 3    1.7291  7  58516 303 3 1 2       3 0 3        C-13-H3C-13-H2C-13-N
   24051.4284  0.0027 -6.7946 3  456.8079109  58516 30354 648      54 649        C-13-H3C-13-H2C-13-N
   24111.3841  0.0020 -6.6027 3  284.5295 83  58516 30341 735      40 832        C-13-H3C-13-H2C-13-N
   24198.9224  0.0020 -6.5995 3  284.5294 83  58516 30341 734      40 833        C-13-H3C-13-H2C-13-N
   24596.1627  0.0022 -6.8684 3  457.3435101  58516 303501140      511041        C-13-H3C-13-H2C-13-N
   24596.4218  0.0022 -6.8684 3  457.3435101  58516 303501139      511042        C-13-H3C-13-H2C-13-N
   24818.7741  0.0004 -6.1746 3    2.8801  9  58516 303 4 1 3       4 0 4        C-13-H3C-13-H2C-13-N
   24839.3245  0.0021 -6.5519 3   41.4199 29  58516 30314 411      15 312        C-13-H3C-13-H2C-13-N
   25097.3292  0.0021 -6.4181 3   72.6257 43  58516 30321 319      20 416        C-13-H3C-13-H2C-13-N
   25224.4836  0.0003 -5.3840 3    1.5876  7  58516 303 3 1 3       2 1 2        C-13-H3C-13-H2C-13-N
   25279.5217  0.0028 -6.3595 3  194.2420 71  58516 30335 431      35 432        C-13-H3C-13-H2C-13-N
   25341.9773  0.0020 -6.4771 3  218.5088 73  58516 30336 631      35 728        C-13-H3C-13-H2C-13-N
   25376.3506  0.0029 -7.3450 3  763.7415135  58516 303671256      661353        C-13-H3C-13-H2C-13-N
   25376.4869  0.0029 -7.3450 3  763.7415135  58516 303671255      661354        C-13-H3C-13-H2C-13-N
   25475.7767  0.0024 -7.5838 3   67.6159 43  58516 30321 120      20 317        C-13-H3C-13-H2C-13-N
   25652.5858  0.0020 -6.4664 3  218.5085 73  58516 30336 630      35 729        C-13-H3C-13-H2C-13-N
   25663.7927  0.0033 -6.2802 3  108.1104 53  58516 30326 323      26 324        C-13-H3C-13-H2C-13-N
   25815.3240  0.0023 -6.5310 3   16.1467 21  58516 30310 1 9      10 110        C-13-H3C-13-H2C-13-N
   25906.8249  0.0003 -5.3082 3    0.8649  7  58516 303 3 0 3       2 0 2        C-13-H3C-13-H2C-13-N
   25937.7798  0.0003 -5.5686 3    3.8492  7  58516 303 3 2 2       2 2 1        C-13-H3C-13-H2C-13-N
   25963.4040  0.0023 -6.9750 3  550.8258111  58516 303551244      561145        C-13-H3C-13-H2C-13-N
   25963.4681  0.0023 -6.9750 3  550.8258111  58516 303551243      561146        C-13-H3C-13-H2C-13-N
   25967.6301  0.0003 -5.5676 3    3.8495  7  58516 303 3 2 1       2 2 0        C-13-H3C-13-H2C-13-N
   26011.8763  0.0079 -7.3357 3  201.8845 75  58516 30337 236      36 333        C-13-H3C-13-H2C-13-N
   26114.0426  0.0005 -6.0585 3    4.3170 11  58516 303 5 1 4       5 0 5        C-13-H3C-13-H2C-13-N
   26186.0609  0.0020 -6.5076 3   41.3758 29  58516 30314 410      15 313        C-13-H3C-13-H2C-13-N
   26295.5504  0.0016 -6.6563 3   18.8273 19  58516 303 9 3 6      10 2 9        C-13-H3C-13-H2C-13-N
   26310.6758  0.0021 -6.3887 3  161.1797 63  58516 30331 527      30 624        C-13-H3C-13-H2C-13-N
   26350.8797  0.0103 -7.4891 3  872.2067151  58516 30375 867      75 868        C-13-H3C-13-H2C-13-N
   26354.9355  0.0023 -6.4323 3   72.6257 39  58516 30319 515      20 416        C-13-H3C-13-H2C-13-N
   26355.6774  0.0028 -7.6579 3  121.3965 57  58516 30328 226      27 423        C-13-H3C-13-H2C-13-N
   26534.8803  0.0022 -6.4446 3   46.0651 35  58516 30317 216      16 313        C-13-H3C-13-H2C-13-N
   26562.8697  0.0035 -7.7990 3  200.9985 73  58516 30336 333      35 530        C-13-H3C-13-H2C-13-N
   26583.8407  0.0021 -6.3542 3  112.5494 53  58516 30326 423      25 520        C-13-H3C-13-H2C-13-N
   26640.0901  0.0003 -5.3367 3    1.6348  7  58516 303 3 1 2       2 1 1        C-13-H3C-13-H2C-13-N
   26651.7833  0.0080 -7.6254 3  400.1057105  58516 30352 350      51 447        C-13-H3C-13-H2C-13-N
   26678.0814  0.0087 -7.6812 3  283.1723 87  58516 30343 340      44 243        C-13-H3C-13-H2C-13-N
   26789.3586  0.0023 -6.4183 3   72.6115 39  58516 30319 514      20 417        C-13-H3C-13-H2C-13-N
   27114.3151  0.0025 -7.0898 3  652.9621125  58516 303621152      611249        C-13-H3C-13-H2C-13-N
   27114.8744  0.0025 -7.0897 3  652.9621125  58516 303621151      611250        C-13-H3C-13-H2C-13-N
   27353.8455  0.0070 -7.8358 3  538.4980119  58516 30359 654      60 357        C-13-H3C-13-H2C-13-N
   27358.1772  0.0021 -6.3543 3  161.1785 63  58516 30331 526      30 625        C-13-H3C-13-H2C-13-N
   27362.8877  0.0066 -7.8032 3  521.4059117  58516 30358 653      59 356        C-13-H3C-13-H2C-13-N
   27408.8809  0.0026 -7.1031 3  652.9621121  58516 303601348      611249        C-13-H3C-13-H2C-13-N
   27408.8965  0.0026 -7.1031 3  652.9621121  58516 303601347      611250        C-13-H3C-13-H2C-13-N
   27564.5302  0.0011 -6.9803 3    4.9521  9  58516 303 4 2 2       5 1 5        C-13-H3C-13-H2C-13-N
   27566.5695  0.0023 -6.3745 3  112.5494 49  58516 30324 619      25 520        C-13-H3C-13-H2C-13-N
   27666.9876  0.0026 -6.4672 3  318.3219 91  58516 30345 540      45 541        C-13-H3C-13-H2C-13-N
   27696.3426  0.0023 -6.3705 3  112.5451 49  58516 30324 618      25 521        C-13-H3C-13-H2C-13-N
   27718.6024  0.0108 -7.6410 3  129.8518 59  58516 30329 227      30 130        C-13-H3C-13-H2C-13-N
   27727.2135  0.0006 -5.9525 3    6.0386 13  58516 303 6 1 5       6 0 6        C-13-H3C-13-H2C-13-N
   27849.5344  0.0075 -7.8548 3  555.8574121  58516 30360 655      61 358        C-13-H3C-13-H2C-13-N
   27909.4709  0.0062 -7.7564 3  504.5807115  58516 30357 652      58 355        C-13-H3C-13-H2C-13-N
   28041.0095  0.0051 -7.0406 3  657.4286131  58516 30365 758      65 759        C-13-H3C-13-H2C-13-N
   28133.6711  0.0034 -6.2619 3   52.1012 37  58516 30318 216      18 217        C-13-H3C-13-H2C-13-N
   28541.1725  0.0030 -6.6981 3  472.7556111  58516 30355 649      55 650        C-13-H3C-13-H2C-13-N
   28689.7479  0.0022 -6.3586 3  161.1797 59  58516 30329 723      30 624        C-13-H3C-13-H2C-13-N
   28726.6179  0.0022 -6.3575 3  161.1785 59  58516 30329 722      30 625        C-13-H3C-13-H2C-13-N
   28760.6717  0.0023 -6.8616 3  550.8258115  58516 303571048      561145        C-13-H3C-13-H2C-13-N
   28762.9114  0.0023 -6.8615 3  550.8258115  58516 303571047      561146        C-13-H3C-13-H2C-13-N
   28817.4835  0.0081 -7.8618 3  573.4842123  58516 30361 656      62 359        C-13-H3C-13-H2C-13-N
   28939.1055  0.0030 -7.2521 3  763.7415131  58516 303651452      661353        C-13-H3C-13-H2C-13-N
   28939.1092  0.0030 -7.2521 3  763.7415131  58516 303651451      661354        C-13-H3C-13-H2C-13-N
   29021.7459  0.0023 -6.3307 3   37.0397 31  58516 30315 213      14 312        C-13-H3C-13-H2C-13-N
   29026.5332  0.0059 -7.6954 3  488.0222113  58516 30356 651      57 354        C-13-H3C-13-H2C-13-N
   29687.9323  0.0008 -5.8531 3    8.0435 15  58516 303 7 1 6       7 0 7        C-13-H3C-13-H2C-13-N
   29811.4278  0.0020 -6.3755 3  218.5088 69  58516 30334 827      35 728        C-13-H3C-13-H2C-13-N
   29821.5228  0.0020 -6.3752 3  218.5085 69  58516 30334 826      35 729        C-13-H3C-13-H2C-13-N
   29864.7245  0.0023 -6.2507 3  112.5451 53  58516 30326 422      25 521        C-13-H3C-13-H2C-13-N
   30122.9260  0.0030 -6.2531 3  204.6596 73  58516 30336 432      36 433        C-13-H3C-13-H2C-13-N
   30172.6647  0.0009 -7.0408 3    3.7080  7  58516 303 3 2 2       4 1 3        C-13-H3C-13-H2C-13-N
   30225.7239  0.0088 -7.8589 3  591.3787125  58516 30362 657      63 360        C-13-H3C-13-H2C-13-N
   30317.2377  0.0048 -7.6854 3 1033.3481157  58516 303781465      771562        C-13-H3C-13-H2C-13-N
   30317.2484  0.0048 -7.6854 3 1033.3481157  58516 303781464      771563        C-13-H3C-13-H2C-13-N
   30322.8042  0.0022 -6.6599 3  457.3435105  58516 30352 944      511041        C-13-H3C-13-H2C-13-N
   30331.5402  0.0022 -6.6597 3  457.3435105  58516 30352 943      511042        C-13-H3C-13-H2C-13-N
   30555.3509  0.0078 -7.8473 3  191.2718 73  58516 30336 135      35 332        C-13-H3C-13-H2C-13-N
   30560.0943  0.0037 -7.4214 3  883.1518141  58516 303701556      711457        C-13-H3C-13-H2C-13-N
   30560.0951  0.0037 -7.4214 3  883.1518141  58516 303701555      711458        C-13-H3C-13-H2C-13-N
   30616.9188  0.0037 -6.1707 3  115.8961 55  58516 30327 324      27 325        C-13-H3C-13-H2C-13-N
   30746.8628  0.0056 -7.6217 3  471.7300111  58516 30355 650      56 353        C-13-H3C-13-H2C-13-N
   30776.1848  0.0003 -6.6139 3    0.0000  3  58516 303 1 1 1       0 0 0        C-13-H3C-13-H2C-13-N
   30906.2501  0.0026 -6.4172 3   19.2203 23  58516 30311 110      11 111        C-13-H3C-13-H2C-13-N
   30913.8911  0.0120 -7.4120 3  894.2141153  58516 30376 868      76 869        C-13-H3C-13-H2C-13-N
   30965.9528  0.0020 -6.4203 3  284.5295 79  58516 30339 931      40 832        C-13-H3C-13-H2C-13-N
   30968.6358  0.0020 -6.4202 3  284.5294 79  58516 30339 930      40 833        C-13-H3C-13-H2C-13-N
   31713.5843  0.0016 -6.2762 3   15.9500 21  58516 30310 1 9       9 2 8        C-13-H3C-13-H2C-13-N
   31757.1046  0.0036 -7.7934 3   84.0271 45  58516 30322 418      23 221        C-13-H3C-13-H2C-13-N
   31805.7582  0.0021 -6.4846 3  372.5257 95  58516 30347 840      46 937        C-13-H3C-13-H2C-13-N
   31838.8586  0.0021 -6.4837 3  372.5256 95  58516 30347 839      46 938        C-13-H3C-13-H2C-13-N
   32027.9211  0.0011 -5.7586 3   10.3300 17  58516 303 8 1 7       8 0 8        C-13-H3C-13-H2C-13-N
   32042.9204  0.0096 -7.8485 3  609.5411127  58516 30363 658      64 361        C-13-H3C-13-H2C-13-N
   32167.9618  0.0016 -6.5433 3   16.0301 17  58516 303 8 3 6       9 2 7        C-13-H3C-13-H2C-13-N
   32169.5810  0.0020 -6.4903 3  359.2341 89  58516 303441035      45 936        C-13-H3C-13-H2C-13-N
   32170.2761  0.0020 -6.4903 3  359.2341 89  58516 303441034      45 937        C-13-H3C-13-H2C-13-N
   32277.4107  0.0047 -7.6108 3 1011.1803151  58516 303751660      761561        C-13-H3C-13-H2C-13-N
   32277.4109  0.0047 -7.6108 3 1011.1803151  58516 303751659      761562        C-13-H3C-13-H2C-13-N
   32277.5104  0.0027 -7.3442 3   73.7521 45  58516 30322 121      21 318        C-13-H3C-13-H2C-13-N
   32320.0593  0.0038 -7.3884 3  903.8949147  58516 303731361      721458        C-13-H3C-13-H2C-13-N
   32320.1050  0.0038 -7.3884 3  903.8949147  58516 303731360      721459        C-13-H3C-13-H2C-13-N
   32375.4900  0.0080 -7.0862 3  191.2718 73  58516 30336 235      35 332        C-13-H3C-13-H2C-13-N
   32574.1908  0.0007 -6.1176 3    4.9521 13  58516 303 6 0 6       5 1 5        C-13-H3C-13-H2C-13-N
   32727.2688  0.0028 -6.3706 3  331.6521 93  58516 30346 541      46 542        C-13-H3C-13-H2C-13-N
   32828.5212  0.0025 -6.2592 3   51.0062 37  58516 30318 217      17 314        C-13-H3C-13-H2C-13-N
   32946.5979  0.0059 -6.9580 3  676.5569133  58516 30366 759      66 760        C-13-H3C-13-H2C-13-N
   33102.7280  0.0054 -7.5373 3  455.7037109  58516 30354 649      55 352        C-13-H3C-13-H2C-13-N
   33202.4551  0.0020 -6.3363 3  296.3816 85  58516 30342 736      41 833        C-13-H3C-13-H2C-13-N
   33238.1576  0.0041 -7.7854 3  313.3395 91  58516 30345 441      44 638        C-13-H3C-13-H2C-13-N
   33277.2905  0.0021 -6.1653 3   78.7095 45  58516 30322 320      21 417        C-13-H3C-13-H2C-13-N
   33323.7272  0.0020 -6.3331 3  296.3815 85  58516 30342 735      41 834        C-13-H3C-13-H2C-13-N
   33370.6206  0.0038 -6.1556 3   57.5336 39  58516 30319 217      19 218        C-13-H3C-13-H2C-13-N
   33432.5892  0.0022 -6.5837 3  442.6145 99  58516 303491139      501040        C-13-H3C-13-H2C-13-N
   33432.7652  0.0022 -6.5837 3  442.6145 99  58516 303491138      501041        C-13-H3C-13-H2C-13-N
   33618.6399  0.0034 -6.6091 3  488.9904113  58516 30356 650      56 651        C-13-H3C-13-H2C-13-N
   33623.8617  0.0004 -4.9883 3    2.4290  9  58516 303 4 1 4       3 1 3        C-13-H3C-13-H2C-13-N
   33998.7045  0.0020 -6.3176 3   37.0693 27  58516 30313 410      14 311        C-13-H3C-13-H2C-13-N
   34096.1731  0.0061 -7.8198 3 1147.8132161  58516 303801764      811665        C-13-H3C-13-H2C-13-N
   34096.1732  0.0061 -7.8198 3 1147.8132161  58516 303801763      811666        C-13-H3C-13-H2C-13-N
   34192.2371  0.0025 -6.1358 3   72.6115 43  58516 30321 318      20 417        C-13-H3C-13-H2C-13-N
   34216.3217  0.0030 -7.1174 3  783.0571137  58516 303681257      671354        C-13-H3C-13-H2C-13-N
   34216.5133  0.0030 -7.1174 3  783.0571137  58516 303681256      671355        C-13-H3C-13-H2C-13-N
   34238.4822  0.0105 -7.8327 3  627.9715129  58516 30364 659      65 362        C-13-H3C-13-H2C-13-N
   34461.0789  0.0020 -6.2170 3  228.9200 75  58516 30337 632      36 729        C-13-H3C-13-H2C-13-N
   34481.7326  0.0110 -7.4993 3  138.4057 61  58516 30330 228      31 131        C-13-H3C-13-H2C-13-N
   34507.3770  0.0004 -4.9365 3    1.7291  9  58516 303 4 0 4       3 0 3        C-13-H3C-13-H2C-13-N
   34541.6637  0.0117 -7.7583 3  511.4020117  58516 30358 454      59 357        C-13-H3C-13-H2C-13-N
   34577.5843  0.0004 -5.0657 3    4.7144  9  58516 303 4 2 3       3 2 2        C-13-H3C-13-H2C-13-N
   34599.9277  0.0004 -5.3070 3    8.4439  9  58516 303 4 3 2       3 3 1        C-13-H3C-13-H2C-13-N
   34600.3705  0.0004 -5.3070 3    8.4439  9  58516 303 4 3 1       3 3 0        C-13-H3C-13-H2C-13-N
   34603.9791  0.0061 -7.7300 3  582.6380123  58516 30361 755      62 458        C-13-H3C-13-H2C-13-N
   34604.7820  0.0016 -6.4863 3   15.9500 17  58516 303 8 3 5       9 2 8        C-13-H3C-13-H2C-13-N
   34613.1606  0.0091 -7.5011 3  295.7474 89  58516 30344 341      45 244        C-13-H3C-13-H2C-13-N
   34652.1177  0.0004 -5.0638 3    4.7157  9  58516 303 4 2 2       3 2 1        C-13-H3C-13-H2C-13-N
   34763.1291  0.0023 -6.6993 3  534.6612109  58516 303541243      551144        C-13-H3C-13-H2C-13-N
   34763.1728  0.0023 -6.6993 3  534.6612109  58516 303541242      551145        C-13-H3C-13-H2C-13-N
   34778.9691  0.0013 -5.6679 3   12.8965 19  58516 303 9 1 8       9 0 9        C-13-H3C-13-H2C-13-N
   34887.4491  0.0020 -6.2062 3  228.9195 75  58516 30337 631      36 730        C-13-H3C-13-H2C-13-N
   34901.1009  0.0020 -6.2959 3   37.0397 27  58516 30313 4 9      14 312        C-13-H3C-13-H2C-13-N
   34928.3470  0.0010 -6.9601 3    3.5506  7  58516 303 3 2 1       4 1 4        C-13-H3C-13-H2C-13-N
   35334.2400  0.0076 -7.3243 3  385.1264103  58516 30351 349      50 446        C-13-H3C-13-H2C-13-N
   35361.9972  0.0023 -6.1990 3   66.8345 37  58516 30318 514      19 415        C-13-H3C-13-H2C-13-N
   35390.4424  0.0021 -6.1331 3  170.1486 65  58516 30332 528      31 625        C-13-H3C-13-H2C-13-N
   35433.6771  0.0021 -6.1013 3  120.0754 55  58516 30327 424      26 521        C-13-H3C-13-H2C-13-N
   35510.8465  0.0004 -4.9411 3    2.5235  9  58516 303 4 1 3       3 1 2        C-13-H3C-13-H2C-13-N
   35538.1768  0.0033 -6.1559 3  215.3628 75  58516 30337 433      37 434        C-13-H3C-13-H2C-13-N
   35652.9918  0.0023 -6.1921 3   66.8250 37  58516 30318 513      19 416        C-13-H3C-13-H2C-13-N
   36012.8182  0.0025 -6.8717 3  670.8476127  58516 303631153      621250        C-13-H3C-13-H2C-13-N
   36013.6025  0.0025 -6.8717 3  670.8476127  58516 303631152      621251        C-13-H3C-13-H2C-13-N
   36032.7713  0.0078 -7.6455 3  180.9475 71  58516 30335 134      34 331        C-13-H3C-13-H2C-13-N
   36061.1103  0.0140 -7.3410 3  916.5076155  58516 30377 869      77 870        C-13-H3C-13-H2C-13-N
   36104.5724  0.0040 -6.0712 3  123.9657 57  58516 30328 325      28 326        C-13-H3C-13-H2C-13-N
   36125.3878  0.0052 -7.4450 3  439.9429107  58516 30353 648      54 351        C-13-H3C-13-H2C-13-N
   36168.4075  0.0025 -6.8361 3  635.3644119  58516 303591347      601248        C-13-H3C-13-H2C-13-N
   36168.4180  0.0025 -6.8361 3  635.3644119  58516 303591346      601249        C-13-H3C-13-H2C-13-N
   36416.0224  0.0030 -6.3134 3   22.5709 25  58516 30312 111      12 112        C-13-H3C-13-H2C-13-N
   36516.2826  0.0023 -6.1420 3  105.3148 47  58516 30323 618      24 519        C-13-H3C-13-H2C-13-N
   36603.2431  0.0023 -6.1399 3  105.3120 47  58516 30323 617      24 520        C-13-H3C-13-H2C-13-N
   36749.4307  0.0027 -7.3249 3  129.5505 59  58516 30329 227      28 424        C-13-H3C-13-H2C-13-N
   36782.6606  0.0115 -7.8136 3  646.6699131  58516 30365 660      66 363        C-13-H3C-13-H2C-13-N
   36809.8086  0.0021 -6.0983 3  170.1469 65  58516 30332 527      31 626        C-13-H3C-13-H2C-13-N
   36865.5000  0.0065 -7.8196 3 1195.2767169  58516 303841570      831667        C-13-H3C-13-H2C-13-N
   36865.5034  0.0065 -7.8196 3 1195.2767169  58516 303841569      831668        C-13-H3C-13-H2C-13-N
   37612.3412  0.0022 -6.1274 3  152.5016 57  58516 30328 722      29 623        C-13-H3C-13-H2C-13-N
   37637.0649  0.0022 -6.1268 3  152.5008 57  58516 30328 721      29 624        C-13-H3C-13-H2C-13-N
   37655.0441  0.0029 -6.9935 3  744.7129129  58516 303641451      651352        C-13-H3C-13-H2C-13-N
   37655.0466  0.0029 -6.9935 3  744.7129129  58516 303641450      651353        C-13-H3C-13-H2C-13-N
   37717.1883  0.0023 -6.6508 3  567.2786117  58516 303581049      571146        C-13-H3C-13-H2C-13-N
   37720.3185  0.0023 -6.6508 3  567.2786117  58516 303581048      571147        C-13-H3C-13-H2C-13-N
   37970.4351  0.0016 -5.5808 3   15.7413 21  58516 30310 1 9      10 010        C-13-H3C-13-H2C-13-N
   38232.6956  0.0031 -7.1753 3   80.1897 47  58516 30323 122      22 319        C-13-H3C-13-H2C-13-N
   38261.8834  0.0080 -6.8803 3  180.9475 71  58516 30335 234      34 331        C-13-H3C-13-H2C-13-N
   38386.1666  0.0031 -6.2821 3  345.2684 95  58516 30347 542      47 543        C-13-H3C-13-H2C-13-N
   38460.1526  0.0068 -6.8820 3  695.9716135  58516 30367 760      67 761        C-13-H3C-13-H2C-13-N
   38644.6402  0.0024 -7.7746 3   31.7233 27  58516 30313 310      14 113        C-13-H3C-13-H2C-13-N
   38657.4854  0.0028 -6.1230 3   56.2442 39  58516 30319 218      18 315        C-13-H3C-13-H2C-13-N
   38712.8925  0.0020 -6.1462 3  208.3880 67  58516 30333 826      34 727        C-13-H3C-13-H2C-13-N
   38719.6679  0.0020 -6.1460 3  208.3878 67  58516 30333 825      34 728        C-13-H3C-13-H2C-13-N
   38950.0308  0.0003 -6.2341 3    0.2884  5  58516 303 2 1 2       1 0 1        C-13-H3C-13-H2C-13-N
   39045.2635  0.0050 -7.5054 3 1055.8012159  58516 303791466      781563        C-13-H3C-13-H2C-13-N
   39045.2784  0.0050 -7.5054 3 1055.8012159  58516 303791465      781564        C-13-H3C-13-H2C-13-N
   39078.9680  0.0041 -6.0589 3   63.2469 41  58516 30320 218      20 219        C-13-H3C-13-H2C-13-N
   39229.1814  0.0036 -7.1710 3  862.6950139  58516 303691555      701456        C-13-H3C-13-H2C-13-N
   39229.1820  0.0036 -7.1710 3  862.6950139  58516 303691554      701457        C-13-H3C-13-H2C-13-N
   39307.9976  0.0038 -6.5275 3  505.5117115  58516 30357 651      57 652        C-13-H3C-13-H2C-13-N
   39337.2078  0.0022 -6.4548 3  472.3614107  58516 30353 945      521042        C-13-H3C-13-H2C-13-N
   39349.3652  0.0022 -6.4545 3  472.3614107  58516 30353 944      521043        C-13-H3C-13-H2C-13-N
   39474.0938  0.0034 -7.4193 3  211.4668 75  58516 30337 334      36 531        C-13-H3C-13-H2C-13-N
   39646.6382  0.0125 -7.7929 3  665.6366133  58516 30366 661      67 364        C-13-H3C-13-H2C-13-N
   39745.7314  0.0009 -7.1583 3    2.5235  5  58516 303 2 2 1       3 1 2        C-13-H3C-13-H2C-13-N
   39793.4271  0.0023 -5.9971 3  120.0692 55  58516 30327 423      26 522        C-13-H3C-13-H2C-13-N
   39844.4550  0.0051 -7.3475 3  424.4474105  58516 30352 647      53 350        C-13-H3C-13-H2C-13-N
   39844.7260  0.0020 -6.1935 3  272.9673 77  58516 30338 930      39 831        C-13-H3C-13-H2C-13-N
   39846.5287  0.0020 -6.1935 3  272.9672 77  58516 30338 929      39 832        C-13-H3C-13-H2C-13-N
   40276.0378  0.0025 -6.0139 3   41.3758 33  58516 30316 214      15 313        C-13-H3C-13-H2C-13-N
   40877.3193  0.0021 -6.2836 3  386.1066 97  58516 30348 841      47 938        C-13-H3C-13-H2C-13-N
   40893.3558  0.0077 -7.4771 3  170.9138 69  58516 30334 133      33 330        C-13-H3C-13-H2C-13-N
   40896.5153  0.0045 -7.3681 3  989.2979149  58516 303741659      751560        C-13-H3C-13-H2C-13-N
   40896.5154  0.0045 -7.3681 3  989.2979149  58516 303741658      751561        C-13-H3C-13-H2C-13-N
   40923.1240  0.0021 -6.2826 3  386.1066 97  58516 30348 840      47 939        C-13-H3C-13-H2C-13-N
   41022.0573  0.0020 -6.2665 3  346.2321 87  58516 303431034      44 935        C-13-H3C-13-H2C-13-N
   41022.5249  0.0020 -6.2665 3  346.2321 87  58516 303431033      44 936        C-13-H3C-13-H2C-13-N
   41111.2721  0.0039 -7.2158 3  924.9241149  58516 303741362      731459        C-13-H3C-13-H2C-13-N
   41111.3361  0.0039 -7.2158 3  924.9241149  58516 303741361      731460        C-13-H3C-13-H2C-13-N
   41239.9195  0.0041 -7.6233 3  151.7260 61  58516 30330 525      31 328        C-13-H3C-13-H2C-13-N
   41273.7010  0.0021 -5.9740 3   85.0864 47  58516 30323 321      22 418        C-13-H3C-13-H2C-13-N
   41382.4415  0.0112 -7.3867 3  147.2317 63  58516 30331 229      32 132        C-13-H3C-13-H2C-13-N
   41392.6555  0.0040 -7.7136 3  251.0193 79  58516 30339 633      40 436        C-13-H3C-13-H2C-13-N
   41409.8629  0.0060 -7.5673 3  564.7239121  58516 30360 754      61 457        C-13-H3C-13-H2C-13-N
   41421.2378  0.0121 -7.5904 3  626.6317131  58516 30365 462      64 559        C-13-H3C-13-H2C-13-N
   41453.8909  0.0015 -6.4113 3   13.4106 15  58516 303 7 3 5       8 2 6        C-13-H3C-13-H2C-13-N
   41527.6400  0.0034 -6.0673 3  226.3508 77  58516 30338 434      38 435        C-13-H3C-13-H2C-13-N
   41626.4625  0.0020 -5.4971 3   18.8627 23  58516 30311 110      11 011        C-13-H3C-13-H2C-13-N
   41824.0948  0.0161 -7.2760 3  939.0864157  58516 30378 870      78 871        C-13-H3C-13-H2C-13-N
   42015.9344  0.0005 -4.6902 3    3.5506 11  58516 303 5 1 5       4 1 4        C-13-H3C-13-H2C-13-N
   42117.9173  0.0042 -5.9806 3  132.3182 59  58516 30329 326      29 327        C-13-H3C-13-H2C-13-N
   42254.7628  0.0022 -6.3632 3  428.1743 97  58516 303481138      491039        C-13-H3C-13-H2C-13-N
   42254.8814  0.0022 -6.3632 3  428.1743 97  58516 303481137      491040        C-13-H3C-13-H2C-13-N
   42278.9743  0.0008 -5.8008 3    6.6332 15  58516 303 7 0 7       6 1 6        C-13-H3C-13-H2C-13-N
   42324.7656  0.0034 -6.2181 3   26.1983 27  58516 30313 112      13 113        C-13-H3C-13-H2C-13-N
   42325.5196  0.0020 -6.1381 3  308.5238 87  58516 30343 737      42 834        C-13-H3C-13-H2C-13-N
   42480.8115  0.0096 -7.3680 3  308.5938 91  58516 30345 342      46 245        C-13-H3C-13-H2C-13-N
   42492.0811  0.0020 -6.1346 3  308.5236 87  58516 30343 736      42 835        C-13-H3C-13-H2C-13-N
   42584.5786  0.0009 -7.1260 3    2.4290  5  58516 303 2 2 0       3 1 3        C-13-H3C-13-H2C-13-N
   42662.2997  0.0058 -7.5845 3 1124.5082159  58516 303791762      801665        C-13-H3C-13-H2C-13-N
   42662.2997  0.0058 -7.5845 3 1124.5082159  58516 303791763      801664        C-13-H3C-13-H2C-13-N
   42685.1646  0.0017 -5.9540 3   18.8273 23  58516 30311 110      10 2 9        C-13-H3C-13-H2C-13-N
   42749.8473  0.0124 -7.6211 3  528.2557119  58516 30359 455      60 358        C-13-H3C-13-H2C-13-N
   42802.6116  0.0137 -7.7719 3  684.8715135  58516 30367 662      68 365        C-13-H3C-13-H2C-13-N
   43011.8151  0.0015 -6.3833 3   13.3591 15  58516 303 7 3 4       8 2 7        C-13-H3C-13-H2C-13-N
   43040.0878  0.0020 -6.1576 3   33.0123 25  58516 30312 4 9      13 310        C-13-H3C-13-H2C-13-N
   43069.7504  0.0031 -6.9504 3  802.6595139  58516 303691258      681355        C-13-H3C-13-H2C-13-N
   43070.0182  0.0031 -6.9504 3  802.6595139  58516 303691257      681356        C-13-H3C-13-H2C-13-N
   43078.1667  0.0005 -4.6497 3    2.8801 11  58516 303 5 0 5       4 0 4        C-13-H3C-13-H2C-13-N
   43212.1457  0.0005 -4.7287 3    5.8678 11  58516 303 5 2 4       4 2 3        C-13-H3C-13-H2C-13-N
   43238.1377  0.0045 -7.7722 3  291.0807 87  58516 30343 539      44 342        C-13-H3C-13-H2C-13-N
   43250.7958  0.0005 -5.1145 3   14.8173 11  58516 303 5 4 2       4 4 1        C-13-H3C-13-H2C-13-N
   43250.8006  0.0005 -5.1145 3   14.8173 11  58516 303 5 4 1       4 4 0        C-13-H3C-13-H2C-13-N
   43255.9003  0.0005 -4.8536 3    9.5981 11  58516 303 5 3 3       4 3 2        C-13-H3C-13-H2C-13-N
   43257.4492  0.0005 -4.8536 3    9.5981 11  58516 303 5 3 2       4 3 1        C-13-H3C-13-H2C-13-N
   43276.9285  0.0036 -7.0578 3   86.9296 49  58516 30324 123      23 320        C-13-H3C-13-H2C-13-N
   43360.8444  0.0005 -4.7257 3    5.8715 11  58516 303 5 2 3       4 2 2        C-13-H3C-13-H2C-13-N
   43551.0428  0.0023 -6.4822 3  518.7851107  58516 303531242      541143        C-13-H3C-13-H2C-13-N
   43551.0722  0.0023 -6.4822 3  518.7851107  58516 303531241      541144        C-13-H3C-13-H2C-13-N
   43610.5608  0.0020 -6.0207 3  239.6217 77  58516 30338 633      37 730        C-13-H3C-13-H2C-13-N
   43615.0424  0.0080 -6.7046 3  170.9138 69  58516 30334 233      33 330        C-13-H3C-13-H2C-13-N
   43626.2346  0.0020 -6.1465 3   32.9930 25  58516 30312 4 8      13 311        C-13-H3C-13-H2C-13-N
   43812.9484  0.0073 -7.0797 3  370.4250101  58516 30350 348      49 445        C-13-H3C-13-H2C-13-N
   43965.1579  0.0031 -6.0235 3   61.7804 41  58516 30320 219      19 316        C-13-H3C-13-H2C-13-N
   43992.8695  0.0037 -7.5814 3   77.2421 43  58516 30321 417      22 220        C-13-H3C-13-H2C-13-N
   44190.2346  0.0020 -6.0091 3  239.6210 77  58516 30338 632      37 731        C-13-H3C-13-H2C-13-N
   44234.3746  0.0021 -5.9075 3  127.8932 57  58516 30328 425      27 522        C-13-H3C-13-H2C-13-N
   44287.0921  0.0049 -7.2478 3  409.2166103  58516 30351 646      52 349        C-13-H3C-13-H2C-13-N
   44305.7666  0.0023 -6.0290 3   61.3352 35  58516 30317 513      18 414        C-13-H3C-13-H2C-13-N
   44373.4351  0.0005 -4.6432 3    3.7080 11  58516 303 5 1 4       4 1 3        C-13-H3C-13-H2C-13-N
   44481.6269  0.0021 -5.9380 3  179.4087 67  58516 30333 529      32 626        C-13-H3C-13-H2C-13-N
   44496.2984  0.0023 -6.0254 3   61.3290 35  58516 30317 512      18 415        C-13-H3C-13-H2C-13-N
   44605.6741  0.0078 -6.8126 3  715.6719137  58516 30368 761      68 762        C-13-H3C-13-H2C-13-N
   44633.5336  0.0044 -7.7232 3  278.5666 85  58516 30342 538      43 341        C-13-H3C-13-H2C-13-N
   44651.9716  0.0033 -6.2015 3  359.1701 97  58516 30348 543      48 544        C-13-H3C-13-H2C-13-N
   44674.1511  0.0050 -7.1662 3  343.7782 95  58516 30347 543      48 246        C-13-H3C-13-H2C-13-N
   44844.1568  0.0048 -7.1391 3  330.1562 93  58516 30346 542      47 245        C-13-H3C-13-H2C-13-N
   44918.2604  0.0025 -6.6226 3  618.0543117  58516 303581346      591247        C-13-H3C-13-H2C-13-N
   44918.2675  0.0025 -6.6226 3  618.0543117  58516 303581345      591248        C-13-H3C-13-H2C-13-N
   44927.9444  0.0026 -6.7088 3  689.0206129  58516 303641154      631251        C-13-H3C-13-H2C-13-N
   44929.0374  0.0026 -6.7088 3  689.0206129  58516 303641153      631252        C-13-H3C-13-H2C-13-N
   44995.9557  0.0026 -5.8846 3   78.6888 45  58516 30322 319      21 418        C-13-H3C-13-H2C-13-N
   45002.0448  0.0052 -7.1864 3  357.6690 97  58516 30348 544      49 247        C-13-H3C-13-H2C-13-N
   45070.6399  0.0076 -7.3348 3  161.1727 67  58516 30333 132      32 329        C-13-H3C-13-H2C-13-N
   45240.6017  0.0045 -5.9705 3   69.2402 43  58516 30321 219      21 220        C-13-H3C-13-H2C-13-N
   45426.0287  0.0023 -5.9665 3   98.3715 45  58516 30322 617      23 518        C-13-H3C-13-H2C-13-N
   45483.2618  0.0023 -5.9655 3   98.3696 45  58516 30322 616      23 519        C-13-H3C-13-H2C-13-N
   45535.7208  0.0068 -7.6800 3 1219.4351171  58516 303851571      841668        C-13-H3C-13-H2C-13-N
   45535.7256  0.0068 -7.6800 3 1219.4351171  58516 303851570      841669        C-13-H3C-13-H2C-13-N
   45542.0469  0.0046 -7.1050 3  316.8028 91  58516 30345 541      46 244        C-13-H3C-13-H2C-13-N
   45625.0659  0.0041 -6.4530 3  522.3186117  58516 30358 652      58 653        C-13-H3C-13-H2C-13-N
   45763.2377  0.0024 -5.4171 3   22.2591 25  58516 30312 111      12 012        C-13-H3C-13-H2C-13-N
   45797.8414  0.0056 -7.2002 3  371.8288 99  58516 30349 545      50 248        C-13-H3C-13-H2C-13-N
   46223.8686  0.0150 -7.7517 3  704.3748137  58516 30368 663      69 366        C-13-H3C-13-H2C-13-N
   46246.2782  0.0045 -7.7409 3  351.7201 95  58516 30347 642      48 445        C-13-H3C-13-H2C-13-N
   46363.2094  0.0028 -6.7837 3  725.9713127  58516 303631450      641351        C-13-H3C-13-H2C-13-N
   46363.2111  0.0028 -6.7837 3  725.9713127  58516 303631449      641352        C-13-H3C-13-H2C-13-N
   46383.9345  0.0021 -5.9008 3  179.4061 67  58516 30333 528      32 627        C-13-H3C-13-H2C-13-N
   46490.3725  0.0043 -7.6690 3  266.3259 83  58516 30341 537      42 340        C-13-H3C-13-H2C-13-N
   46505.5872  0.0022 -5.9488 3  144.1143 55  58516 30327 721      28 622        C-13-H3C-13-H2C-13-N
   46509.6256  0.0026 -7.0828 3  138.0045 61  58516 30330 228      29 425        C-13-H3C-13-H2C-13-N
   46521.9211  0.0022 -5.9485 3  144.1138 55  58516 30327 720      28 623        C-13-H3C-13-H2C-13-N
   46694.0736  0.0023 -6.4910 3  584.0197119  58516 303591050      581147        C-13-H3C-13-H2C-13-N
   46698.4203  0.0023 -6.4909 3  584.0197119  58516 303591049      581148        C-13-H3C-13-H2C-13-N
   46797.5561  0.0045 -7.0641 3  303.7176 89  58516 30344 540      45 243        C-13-H3C-13-H2C-13-N
   46890.7487  0.0004 -5.9472 3    0.8649  7  58516 303 3 1 3       2 0 2        C-13-H3C-13-H2C-13-N
   47031.7195  0.0059 -7.2083 3  386.2577101  58516 30350 546      51 249        C-13-H3C-13-H2C-13-N
   47361.5060  0.0042 -6.9813 3   93.9723 51  58516 30325 124      24 321        C-13-H3C-13-H2C-13-N
   47590.9251  0.0021 -5.9660 3  198.5576 65  58516 30332 825      33 726        C-13-H3C-13-H2C-13-N
   47595.4151  0.0021 -5.9659 3  198.5574 65  58516 30332 824      33 727        C-13-H3C-13-H2C-13-N
   47782.0501  0.0052 -7.3705 3 1078.5396161  58516 303801467      791564        C-13-H3C-13-H2C-13-N
   47782.0710  0.0052 -7.3705 3 1078.5396161  58516 303801466      791565        C-13-H3C-13-H2C-13-N
   47892.2027  0.0035 -6.9649 3  842.5244137  58516 303681554      691455        C-13-H3C-13-H2C-13-N
   47892.2031  0.0035 -6.9649 3  842.5244137  58516 303681553      691456        C-13-H3C-13-H2C-13-N
   47915.2527  0.0041 -7.4456 3  326.4149 93  58516 30346 442      45 639        C-13-H3C-13-H2C-13-N
   48085.1306  0.0036 -5.9868 3  237.6228 79  58516 30339 435      39 436        C-13-H3C-13-H2C-13-N
   48227.9654  0.0184 -7.2170 3  961.9499159  58516 30379 871      79 872        C-13-H3C-13-H2C-13-N
   48362.7373  0.0114 -7.2952 3  156.3298 65  58516 30332 230      33 133        C-13-H3C-13-H2C-13-N
   48376.3497  0.0022 -6.2969 3  487.6683109  58516 30354 946      531043        C-13-H3C-13-H2C-13-N
   48382.6916  0.0079 -6.5519 3  161.1727 67  58516 30333 232      32 329        C-13-H3C-13-H2C-13-N
   48393.1512  0.0022 -6.2966 3  487.6683109  58516 30354 945      531044        C-13-H3C-13-H2C-13-N
   48500.9708  0.0074 -7.2149 3  151.7260 65  58516 30332 131      31 328        C-13-H3C-13-H2C-13-N
   48607.9949  0.0038 -6.1300 3   30.1019 29  58516 30314 113      14 114        C-13-H3C-13-H2C-13-N
   48639.8527  0.0044 -7.0172 3  290.9005 87  58516 30343 539      44 242        C-13-H3C-13-H2C-13-N
   48641.5464  0.0045 -5.8981 3  140.9531 61  58516 30330 327      30 328        C-13-H3C-13-H2C-13-N
   48674.1835  0.0064 -7.2117 3  400.9560103  58516 30351 547      52 250        C-13-H3C-13-H2C-13-N
   48695.2996  0.0035 -5.9532 3   67.6159 43  58516 30321 220      20 317        C-13-H3C-13-H2C-13-N
   48704.1149  0.0020 -6.0126 3  261.6950 75  58516 30337 929      38 830        C-13-H3C-13-H2C-13-N
   48705.3127  0.0020 -6.0126 3  261.6949 75  58516 30337 928      38 831        C-13-H3C-13-H2C-13-N
   48811.5105  0.0043 -7.6106 3  254.3589 81  58516 30340 536      41 339        C-13-H3C-13-H2C-13-N
   49048.2306  0.0022 -5.8233 3   91.7572 49  58516 30324 322      23 419        C-13-H3C-13-H2C-13-N
   49049.8564  0.0059 -7.4182 3  547.0718119  58516 30359 753      60 456        C-13-H3C-13-H2C-13-N
   49107.1862  0.0025 -7.6877 3   27.6101 25  58516 30312 3 9      13 112        C-13-H3C-13-H2C-13-N
   49477.0281  0.0049 -7.1484 3  394.2504101  58516 30350 645      51 348        C-13-H3C-13-H2C-13-N
   49511.1007  0.0044 -7.1657 3  967.7011147  58516 303731658      741559        C-13-H3C-13-H2C-13-N
   49511.1008  0.0044 -7.1657 3  967.7011147  58516 303731657      741560        C-13-H3C-13-H2C-13-N
   49858.3131  0.0020 -6.0855 3  333.5194 85  58516 303421033      43 934        C-13-H3C-13-H2C-13-N
   49858.6246  0.0020 -6.0855 3  333.5194 85  58516 303421032      43 935        C-13-H3C-13-H2C-13-N
   49913.6611  0.0041 -7.0844 3  946.2394151  58516 303751363      741460        C-13-H3C-13-H2C-13-N
   49913.7503  0.0041 -7.0844 3  946.2394151  58516 303751362      741461        C-13-H3C-13-H2C-13-N
   49915.4487  0.0069 -7.6205 3  356.0040 99  58516 30349 247      48 444        C-13-H3C-13-H2C-13-N
   49953.5683  0.0023 -5.7972 3  127.8843 57  58516 30328 424      27 523        C-13-H3C-13-H2C-13-N
   49978.2794  0.0022 -6.1269 3  399.9772 99  58516 30349 842      48 939        C-13-H3C-13-H2C-13-N
   50041.1866  0.0022 -6.1258 3  399.9771 99  58516 30349 841      48 940        C-13-H3C-13-H2C-13-N
   50239.1502  0.0102 -7.2663 3  321.7113 93  58516 30346 343      47 246        C-13-H3C-13-H2C-13-N
   50386.6822  0.0028 -5.3407 3   25.9294 27  58516 30313 112      13 013        C-13-H3C-13-H2C-13-N
   50399.1497  0.0006 -4.4507 3    4.9521 13  58516 303 6 1 6       5 1 5        C-13-H3C-13-H2C-13-N
   50455.0515  0.0047 -6.9390 3  101.3180 53  58516 30326 125      25 322        C-13-H3C-13-H2C-13-N
   50557.4539  0.0015 -6.3511 3   11.0862 13  58516 303 6 3 4       7 2 5        C-13-H3C-13-H2C-13-N
   50696.1930  0.0068 -7.2113 3  415.9238105  58516 30352 548      53 251        C-13-H3C-13-H2C-13-N
   50733.5896  0.0132 -7.5200 3  545.3795121  58516 30360 456      61 359        C-13-H3C-13-H2C-13-N
   51063.3638  0.0021 -6.1826 3  414.0231 95  58516 303471137      481038        C-13-H3C-13-H2C-13-N
   51063.4430  0.0021 -6.1826 3  414.0231 95  58516 303471136      481039        C-13-H3C-13-H2C-13-N
   51076.3963  0.0044 -7.6417 3  337.9279 93  58516 30346 641      47 444        C-13-H3C-13-H2C-13-N
   51082.6659  0.0053 -7.6528 3  466.1842111  58516 30355 550      54 747        C-13-H3C-13-H2C-13-N
   51097.1164  0.0043 -6.9652 3  278.3510 85  58516 30342 538      43 241        C-13-H3C-13-H2C-13-N
   51124.2809  0.0071 -7.1155 3  142.5757 63  58516 30331 130      30 327        C-13-H3C-13-H2C-13-N
   51218.5602  0.0112 -7.3475 3  607.8834129  58516 30364 461      63 558        C-13-H3C-13-H2C-13-N
   51225.3169  0.0056 -7.3858 3 1101.4881157  58516 303781761      791664        C-13-H3C-13-H2C-13-N
   51225.3169  0.0056 -7.3858 3 1101.4881157  58516 303781762      791663        C-13-H3C-13-H2C-13-N
   51399.0828  0.0090 -6.7498 3  735.6571139  58516 30369 762      69 763        C-13-H3C-13-H2C-13-N
   51481.2411  0.0021 -5.9818 3  320.9560 89  58516 30344 738      43 835        C-13-H3C-13-H2C-13-N
   51494.9670  0.0015 -6.3375 3   11.0552 13  58516 303 6 3 3       7 2 6        C-13-H3C-13-H2C-13-N
   51523.8794  0.0036 -6.1282 3  373.3564 99  58516 30349 544      49 545        C-13-H3C-13-H2C-13-N
   51596.9411  0.0042 -7.5492 3  242.6663 79  58516 30339 535      40 338        C-13-H3C-13-H2C-13-N
   51612.3672  0.0005 -4.4169 3    4.3170 13  58516 303 6 0 6       5 0 5        C-13-H3C-13-H2C-13-N
   51708.1156  0.0021 -5.9779 3  320.9558 89  58516 30344 737      43 836        C-13-H3C-13-H2C-13-N
   51827.0984  0.0027 -5.7651 3   46.0014 35  58516 30317 215      16 314        C-13-H3C-13-H2C-13-N
   51833.3221  0.0048 -5.8895 3   75.5131 45  58516 30322 220      22 221        C-13-H3C-13-H2C-13-N
   51840.1603  0.0005 -4.4701 3    7.3092 13  58516 303 6 2 5       5 2 4        C-13-H3C-13-H2C-13-N
   51903.8947  0.0005 -4.9654 3   22.9681 13  58516 303 6 5 1       5 5 0        C-13-H3C-13-H2C-13-N
   51903.8947  0.0005 -4.9654 3   22.9681 13  58516 303 6 5 2       5 5 1        C-13-H3C-13-H2C-13-N
   51905.6681  0.0005 -4.6917 3   16.2600 13  58516 303 6 4 3       5 4 2        C-13-H3C-13-H2C-13-N
   51905.6899  0.0005 -4.6917 3   16.2600 13  58516 303 6 4 2       5 4 1        C-13-H3C-13-H2C-13-N
   51915.4666  0.0005 -4.5504 3   11.0409 13  58516 303 6 3 4       5 3 3        C-13-H3C-13-H2C-13-N
   51919.5930  0.0005 -4.5503 3   11.0410 13  58516 303 6 3 3       5 3 2        C-13-H3C-13-H2C-13-N
   51937.1674  0.0032 -6.8214 3  822.5488141  58516 303701259      691356        C-13-H3C-13-H2C-13-N
   51937.5396  0.0032 -6.8214 3  822.5488141  58516 303701258      691357        C-13-H3C-13-H2C-13-N
   51951.2066  0.0033 -7.1483 3  222.2337 77  58516 30338 335      37 532        C-13-H3C-13-H2C-13-N
   51986.0127  0.0020 -6.0465 3   29.2481 23  58516 30311 4 8      12 3 9        C-13-H3C-13-H2C-13-N
   52018.9598  0.0070 -6.8712 3  356.0040 99  58516 30349 347      48 444        C-13-H3C-13-H2C-13-N
   52054.9029  0.0009 -5.5420 3    8.5937 17  58516 303 8 0 8       7 1 7        C-13-H3C-13-H2C-13-N
   52099.2553  0.0006 -4.4658 3    7.3179 13  58516 303 6 2 4       5 2 3        C-13-H3C-13-H2C-13-N
   52327.6781  0.0023 -6.3024 3  503.1972105  58516 303521241      531142        C-13-H3C-13-H2C-13-N
   52327.6978  0.0023 -6.3024 3  503.1972105  58516 303521240      531143        C-13-H3C-13-H2C-13-N
   52353.3856  0.0020 -6.0408 3   29.2360 23  58516 30311 4 7      12 310        C-13-H3C-13-H2C-13-N
   52516.7287  0.0078 -6.4178 3  151.7260 65  58516 30332 231      31 328        C-13-H3C-13-H2C-13-N
   52543.8436  0.0053 -6.9264 3  108.9665 55  58516 30327 126      26 323        C-13-H3C-13-H2C-13-N
   52576.6906  0.0045 -6.3855 3  539.4104119  58516 30359 653      59 654        C-13-H3C-13-H2C-13-N
   52788.9580  0.0020 -5.8643 3  250.6141 79  58516 30339 634      38 731        C-13-H3C-13-H2C-13-N
   52794.0690  0.0039 -5.9078 3   73.7521 45  58516 30322 221      21 318        C-13-H3C-13-H2C-13-N
   52885.1819  0.0068 -7.0362 3  133.7231 61  58516 30330 129      29 326        C-13-H3C-13-H2C-13-N
   52966.0907  0.0021 -5.7520 3  136.0032 59  58516 30329 426      28 523        C-13-H3C-13-H2C-13-N
   53039.8131  0.0073 -7.6250 3 1243.8710167  58516 303831865      841768        C-13-H3C-13-H2C-13-N
   53039.8131  0.0073 -7.6250 3 1243.8710167  58516 303831866      841767        C-13-H3C-13-H2C-13-N
   53069.2804  0.0074 -7.2081 3  431.1611107  58516 30353 549      54 252        C-13-H3C-13-H2C-13-N
   53196.4669  0.0023 -5.9002 3   56.1275 33  58516 30316 512      17 413        C-13-H3C-13-H2C-13-N
   53225.5382  0.0006 -4.4040 3    5.1881 13  58516 303 6 1 5       5 1 4        C-13-H3C-13-H2C-13-N
   53318.1112  0.0023 -5.8982 3   56.1235 33  58516 30316 511      17 414        C-13-H3C-13-H2C-13-N
   53569.8250  0.0020 -5.8513 3  250.6131 79  58516 30339 633      38 732        C-13-H3C-13-H2C-13-N
   53576.7471  0.0020 -5.7815 3  188.9600 69  58516 30334 530      33 627        C-13-H3C-13-H2C-13-N
   53630.9489  0.0059 -6.9400 3  116.9174 57  58516 30328 127      27 324        C-13-H3C-13-H2C-13-N
   53658.8624  0.0025 -6.4438 3  601.0320115  58516 303571345      581246        C-13-H3C-13-H2C-13-N
   53658.8672  0.0025 -6.4438 3  601.0320115  58516 303571344      581247        C-13-H3C-13-H2C-13-N
   53734.4536  0.0063 -6.9772 3  125.1700 59  58516 30329 128      28 325        C-13-H3C-13-H2C-13-N
   53808.2979  0.0019 -5.6943 3   21.9908 25  58516 30312 111      11 210        C-13-H3C-13-H2C-13-N
   53860.3746  0.0026 -6.5815 3  707.4812131  58516 303651155      641252        C-13-H3C-13-H2C-13-N
   53861.8891  0.0026 -6.5814 3  707.4812131  58516 303651154      641253        C-13-H3C-13-H2C-13-N
   54195.9807  0.0042 -6.9097 3  266.0688 83  58516 30341 537      42 240        C-13-H3C-13-H2C-13-N
   54212.8622  0.0071 -7.5731 3 1243.8778173  58516 303861572      851669        C-13-H3C-13-H2C-13-N
   54212.8688  0.0071 -7.5731 3 1243.8778173  58516 303861571      851670        C-13-H3C-13-H2C-13-N
   54300.5517  0.0024 -5.8285 3   91.7191 43  58516 30321 616      22 517        C-13-H3C-13-H2C-13-N
   54337.4916  0.0024 -5.8279 3   91.7179 43  58516 30321 615      22 518        C-13-H3C-13-H2C-13-N
   54607.7856  0.0005 -5.7155 3    1.7291  9  58516 303 4 1 4       3 0 3        C-13-H3C-13-H2C-13-N
   54843.7390  0.0042 -7.4859 3  231.2484 77  58516 30338 534      39 337        C-13-H3C-13-H2C-13-N
   54869.4562  0.0042 -7.4198 3  142.5757 59  58516 30329 524      30 327        C-13-H3C-13-H2C-13-N
   55063.9389  0.0028 -6.6061 3  707.5168125  58516 303621449      631350        C-13-H3C-13-H2C-13-N
   55063.9400  0.0028 -6.6061 3  707.5168125  58516 303621448      631351        C-13-H3C-13-H2C-13-N
   55171.5403  0.0100 -7.6677 3  724.3726137  58516 30368 861      69 564        C-13-H3C-13-H2C-13-N
   55196.6238  0.0037 -5.9135 3  249.1781 81  58516 30340 436      40 437        C-13-H3C-13-H2C-13-N
   55236.3364  0.0042 -6.0482 3   34.2813 31  58516 30315 114      15 115        C-13-H3C-13-H2C-13-N
   55290.3191  0.0210 -7.1640 3  985.0973161  58516 30380 872      80 873        C-13-H3C-13-H2C-13-N
   55368.7200  0.0117 -7.2200 3  165.6999 67  58516 30333 231      34 134        C-13-H3C-13-H2C-13-N
   55372.0402  0.0023 -5.8051 3  136.0175 53  58516 30326 720      27 621        C-13-H3C-13-H2C-13-N
   55382.6608  0.0023 -5.8049 3  136.0172 53  58516 30326 719      27 622        C-13-H3C-13-H2C-13-N
   55433.4120  0.0048 -7.0515 3  379.5486 99  58516 30349 644      50 347        C-13-H3C-13-H2C-13-N
   55490.9285  0.0032 -5.2681 3   29.8723 29  58516 30314 113      14 014        C-13-H3C-13-H2C-13-N
   55538.5933  0.0026 -6.8986 3  146.7595 63  58516 30331 229      30 426        C-13-H3C-13-H2C-13-N
   55654.3684  0.0046 -5.8228 3  149.8696 63  58516 30331 328      31 329        C-13-H3C-13-H2C-13-N
   55692.1928  0.0024 -6.3645 3  601.0491121  58516 303601051      591148        C-13-H3C-13-H2C-13-N
   55698.1909  0.0024 -6.3644 3  601.0491121  58516 303601050      591149        C-13-H3C-13-H2C-13-N
   55765.6598  0.0079 -7.2030 3  446.6681109  58516 30354 550      55 253        C-13-H3C-13-H2C-13-N
   55973.7218  0.0076 -6.2998 3  142.5757 63  58516 30331 230      30 327        C-13-H3C-13-H2C-13-N
   56009.1295  0.0040 -7.4750 3  239.2268 77  58516 30338 632      39 435        C-13-H3C-13-H2C-13-N
   56099.7297  0.0021 -5.7403 3  188.9563 69  58516 30334 529      33 628        C-13-H3C-13-H2C-13-N
   56141.7407  0.0007 -5.1008 3   31.7233 29  58516 30314 212      14 113        C-13-H3C-13-H2C-13-N
   56145.5019  0.0027 -5.6814 3   85.0568 47  58516 30323 320      22 419        C-13-H3C-13-H2C-13-N
   56185.3180  0.0007 -5.1331 3   27.6101 27  58516 30313 211      13 112        C-13-H3C-13-H2C-13-N
   56212.2257  0.0044 -5.8841 3   80.1897 47  58516 30323 222      22 319        C-13-H3C-13-H2C-13-N
   56253.8801  0.0037 -7.4421 3   70.7493 41  58516 30320 416      21 219        C-13-H3C-13-H2C-13-N
   56335.5191  0.0044 -7.5462 3  324.4125 91  58516 30345 640      46 443        C-13-H3C-13-H2C-13-N
   56447.1380  0.0021 -5.8185 3  189.0173 63  58516 30331 824      32 725        C-13-H3C-13-H2C-13-N
   56450.0737  0.0021 -5.8185 3  189.0172 63  58516 30331 823      32 726        C-13-H3C-13-H2C-13-N
   56478.2398  0.0007 -5.0687 3   36.1238 31  58516 30315 213      15 114        C-13-H3C-13-H2C-13-N
   56527.9296  0.0054 -7.2658 3 1101.5631163  58516 303811468      801565        C-13-H3C-13-H2C-13-N
   56527.9585  0.0054 -7.2658 3 1101.5631163  58516 303811467      801566        C-13-H3C-13-H2C-13-N
   56549.4287  0.0034 -6.7886 3  822.6403135  58516 303671553      681454        C-13-H3C-13-H2C-13-N
   56549.4290  0.0034 -6.7886 3  822.6403135  58516 303671552      681455        C-13-H3C-13-H2C-13-N
   56558.4549  0.0023 -5.7023 3   98.7227 51  58516 30325 323      24 420        C-13-H3C-13-H2C-13-N
   56562.9162  0.0007 -5.1665 3   23.7856 25  58516 30312 210      12 111        C-13-H3C-13-H2C-13-N
   56568.5567  0.0055 -7.5345 3  182.2238 69  58516 30334 431      35 234        C-13-H3C-13-H2C-13-N
   56670.7764  0.0056 -7.5538 3  192.3517 71  58516 30335 432      36 235        C-13-H3C-13-H2C-13-N
   56890.7298  0.0054 -7.5114 3  172.3686 67  58516 30333 430      34 233        C-13-H3C-13-H2C-13-N
   57184.1963  0.0057 -7.5692 3  202.7522 73  58516 30336 433      37 236        C-13-H3C-13-H2C-13-N
   57223.2705  0.0008 -5.2018 3   20.2512 23  58516 30311 2 9      11 110        C-13-H3C-13-H2C-13-N
   57235.7852  0.0009 -5.0363 3   40.8101 33  58516 30316 214      16 115        C-13-H3C-13-H2C-13-N
   57330.1393  0.0066 -7.4399 3  341.8659 97  58516 30348 246      47 443        C-13-H3C-13-H2C-13-N
   57441.2767  0.0022 -6.1705 3  503.2641111  58516 30355 947      541044        C-13-H3C-13-H2C-13-N
   57464.3401  0.0022 -6.1702 3  503.2641111  58516 30355 946      541045        C-13-H3C-13-H2C-13-N
   57530.2194  0.0059 -7.2823 3  529.6817117  58516 30358 752      59 455        C-13-H3C-13-H2C-13-N
   57545.2558  0.0020 -5.8626 3  250.7124 73  58516 30336 928      37 829        C-13-H3C-13-H2C-13-N
   57546.0425  0.0020 -5.8626 3  250.7124 73  58516 30336 927      37 830        C-13-H3C-13-H2C-13-N
   57648.3022  0.0053 -7.4847 3  162.7866 65  58516 30332 429      33 232        C-13-H3C-13-H2C-13-N
   57854.6321  0.0109 -7.1869 3  335.1001 95  58516 30347 344      48 247        C-13-H3C-13-H2C-13-N
   57960.8090  0.0041 -6.8520 3  254.0538 81  58516 30340 536      41 239        C-13-H3C-13-H2C-13-N
   58093.6782  0.0058 -7.5810 3  213.4250 75  58516 30337 434      38 237        C-13-H3C-13-H2C-13-N
   58110.3844  0.0008 -5.2402 3   17.0078 21  58516 30310 2 8      10 1 9        C-13-H3C-13-H2C-13-N
   58121.3842  0.0042 -6.9908 3  946.3900145  58516 303721657      731558        C-13-H3C-13-H2C-13-N
   58121.3843  0.0042 -6.9908 3  946.3900145  58516 303721656      731559        C-13-H3C-13-H2C-13-N
   58450.7027  0.0012 -5.0031 3   45.7805 35  58516 30317 215      17 116        C-13-H3C-13-H2C-13-N
   58483.2384  0.0140 -7.4441 3  562.7731123  58516 30361 457      62 360        C-13-H3C-13-H2C-13-N
   58490.9155  0.0055 -6.8456 3  192.2910 71  58516 30335 432      36 135        C-13-H3C-13-H2C-13-N
   58546.0531  0.0041 -7.4219 3  220.1058 75  58516 30337 533      38 336        C-13-H3C-13-H2C-13-N
   58666.2654  0.0056 -6.8607 3  202.7027 73  58516 30336 433      37 136        C-13-H3C-13-H2C-13-N
   58679.1998  0.0020 -5.9337 3  321.0962 83  58516 303411032      42 933        C-13-H3C-13-H2C-13-N
   58679.4051  0.0020 -5.9337 3  321.0962 83  58516 303411031      42 934        C-13-H3C-13-H2C-13-N
   58715.5368  0.0074 -6.1966 3  133.7231 61  58516 30330 229      29 326        C-13-H3C-13-H2C-13-N
   58727.6507  0.0042 -6.9810 3  967.8407153  58516 303761364      751461        C-13-H3C-13-H2C-13-N
   58727.7743  0.0042 -6.9810 3  967.8407153  58516 303761363      751462        C-13-H3C-13-H2C-13-N
   58758.3319  0.0085 -7.1967 3  462.4447111  58516 30355 551      56 254        C-13-H3C-13-H2C-13-N
   58772.1312  0.0006 -4.2508 3    6.6332 15  58516 303 7 1 7       6 1 6        C-13-H3C-13-H2C-13-N
   58797.6688  0.0053 -6.8268 3  182.1494 69  58516 30334 431      35 134        C-13-H3C-13-H2C-13-N
   58830.9873  0.0051 -5.8148 3   82.0647 47  58516 30323 221      23 222        C-13-H3C-13-H2C-13-N
   58847.5341  0.0102 -6.6932 3  755.9265141  58516 30370 763      70 764        C-13-H3C-13-H2C-13-N
   58849.8751  0.0052 -7.4546 3  153.4778 63  58516 30331 428      32 231        C-13-H3C-13-H2C-13-N
   58907.2909  0.0048 -5.8801 3   86.9296 49  58516 30324 223      23 320        C-13-H3C-13-H2C-13-N
   58992.3195  0.0039 -6.0619 3  387.8265101  58516 30350 545      50 546        C-13-H3C-13-H2C-13-N
   59109.7009  0.0022 -6.0000 3  414.1372101  58516 30350 843      49 940        C-13-H3C-13-H2C-13-N
   59164.7265  0.0009 -5.2827 3   14.0566 19  58516 303 9 2 7       9 1 8        C-13-H3C-13-H2C-13-N
   59195.4674  0.0022 -5.9988 3  414.1371101  58516 30350 842      49 941        C-13-H3C-13-H2C-13-N
   59297.3928  0.0057 -6.8722 3  213.3848 75  58516 30337 434      38 137        C-13-H3C-13-H2C-13-N
   59382.3951  0.0060 -7.5895 3  224.3700 77  58516 30338 435      39 238        C-13-H3C-13-H2C-13-N
   59513.9971  0.0015 -6.3592 3    9.0558 11  58516 303 5 3 3       6 2 4        C-13-H3C-13-H2C-13-N
   59612.4164  0.0052 -6.8046 3  172.2778 67  58516 30333 430      34 133        C-13-H3C-13-H2C-13-N
   59724.8338  0.0045 -7.5780 3  360.6595 95  58516 30347 740      48 543        C-13-H3C-13-H2C-13-N
   59785.3993  0.0054 -7.2125 3 1078.7527155  58516 303771760      781663        C-13-H3C-13-H2C-13-N
   59785.3993  0.0054 -7.2125 3 1078.7527155  58516 303771761      781662        C-13-H3C-13-H2C-13-N
   59859.0509  0.0021 -6.0295 3  400.1608 93  58516 303461136      471037        C-13-H3C-13-H2C-13-N
   59859.1033  0.0021 -6.0295 3  400.1608 93  58516 303461135      471038        C-13-H3C-13-H2C-13-N
   59883.8121  0.0067 -6.6881 3  341.8659 97  58516 30348 346      47 443        C-13-H3C-13-H2C-13-N
   60035.7063  0.0015 -6.3529 3    9.0384 11  58516 303 5 3 2       6 2 5        C-13-H3C-13-H2C-13-N
   60103.9331  0.0006 -4.2217 3    6.0386 15  58516 303 7 0 7       6 0 6        C-13-H3C-13-H2C-13-N
   60155.0839  0.0015 -4.9688 3   51.0331 37  58516 30318 216      18 117        C-13-H3C-13-H2C-13-N
   60160.5742  0.0049 -6.3246 3  556.7863121  58516 30360 654      60 655        C-13-H3C-13-H2C-13-N
   60325.0516  0.0009 -5.3308 3   11.3984 17  58516 303 8 2 6       8 1 7        C-13-H3C-13-H2C-13-N
   60357.7418  0.0059 -6.8804 3  224.3375 77  58516 30338 435      39 138        C-13-H3C-13-H2C-13-N
   60376.5715  0.0023 -5.6319 3  135.9905 59  58516 30329 425      28 524        C-13-H3C-13-H2C-13-N
   60460.3323  0.0006 -4.2593 3    9.0384 15  58516 303 7 2 6       6 2 5        C-13-H3C-13-H2C-13-N
   60501.4534  0.0051 -7.4218 3  144.4427 61  58516 30330 427      31 230        C-13-H3C-13-H2C-13-N
   60558.2213  0.0006 -4.5635 3   24.6995 15  58516 303 7 5 3       6 5 2        C-13-H3C-13-H2C-13-N
   60558.2215  0.0006 -4.5635 3   24.6995 15  58516 303 7 5 2       6 5 1        C-13-H3C-13-H2C-13-N
   60559.6653  0.0006 -4.8468 3   32.8947 15  58516 303 7 6 1       6 6 0        C-13-H3C-13-H2C-13-N
   60559.6653  0.0006 -4.8468 3   32.8947 15  58516 303 7 6 2       6 6 1        C-13-H3C-13-H2C-13-N
   60563.0971  0.0006 -4.4111 3   17.9914 15  58516 303 7 4 4       6 4 3        C-13-H3C-13-H2C-13-N
   60563.1696  0.0006 -4.4111 3   17.9914 15  58516 303 7 4 3       6 4 2        C-13-H3C-13-H2C-13-N
   60578.9538  0.0006 -4.3165 3   12.7726 15  58516 303 7 3 5       6 3 4        C-13-H3C-13-H2C-13-N
   60588.2255  0.0006 -4.3163 3   12.7728 15  58516 303 7 3 4       6 3 3        C-13-H3C-13-H2C-13-N
   60670.0048  0.0021 -5.8541 3  333.6785 91  58516 30345 739      44 836        C-13-H3C-13-H2C-13-N
   60710.1346  0.0071 -6.1074 3  125.1700 59  58516 30329 228      28 325        C-13-H3C-13-H2C-13-N
   60819.1179  0.0034 -6.7187 3  842.7249143  58516 303711260      701357        C-13-H3C-13-H2C-13-N
   60819.6324  0.0034 -6.7187 3  842.7249143  58516 303711259      701358        C-13-H3C-13-H2C-13-N
   60845.4107  0.0053 -5.8941 3   93.9723 51  58516 30325 224      24 321        C-13-H3C-13-H2C-13-N
   60855.8176  0.0020 -5.9725 3   25.7759 21  58516 30310 4 7      11 3 8        C-13-H3C-13-H2C-13-N
   60872.0097  0.0006 -4.2534 3    9.0558 15  58516 303 7 2 5       6 2 4        C-13-H3C-13-H2C-13-N
   60960.3539  0.0051 -6.7794 3  162.6761 65  58516 30332 429      33 132        C-13-H3C-13-H2C-13-N
   60961.6808  0.0105 -7.1365 3  589.4066127  58516 30363 460      62 557        C-13-H3C-13-H2C-13-N
   60976.5732  0.0021 -5.8496 3  333.6781 91  58516 30345 738      44 837        C-13-H3C-13-H2C-13-N
   61032.0965  0.0062 -7.5950 3  235.5870 79  58516 30339 436      40 239        C-13-H3C-13-H2C-13-N
   61057.7821  0.0036 -5.1992 3   34.0871 31  58516 30315 114      15 015        C-13-H3C-13-H2C-13-N
   61076.6795  0.0020 -5.9696 3   25.7686 21  58516 30310 4 6      11 3 9        C-13-H3C-13-H2C-13-N
   61093.5537  0.0023 -6.1485 3  487.8977103  58516 303511240      521141        C-13-H3C-13-H2C-13-N
   61093.5667  0.0023 -6.1485 3  487.8977103  58516 303511239      521142        C-13-H3C-13-H2C-13-N
   61530.5834  0.0009 -5.3862 3    9.0338 15  58516 303 7 2 5       7 1 6        C-13-H3C-13-H2C-13-N
   61546.6083  0.0070 -7.4532 3 1219.7146165  58516 303821864      831767        C-13-H3C-13-H2C-13-N
   61546.6083  0.0070 -7.4532 3 1219.7146165  58516 303821865      831766        C-13-H3C-13-H2C-13-N
   61605.7190  0.0021 -5.6239 3  144.4059 61  58516 30330 427      29 524        C-13-H3C-13-H2C-13-N
   61820.6929  0.0062 -6.8856 3  235.5607 79  58516 30339 436      40 139        C-13-H3C-13-H2C-13-N
   61862.8923  0.0010 -5.3231 3   10.8330 19  58516 303 9 0 9       8 1 8        C-13-H3C-13-H2C-13-N
   61932.5399  0.0067 -6.0321 3  116.9174 57  58516 30328 227      27 324        C-13-H3C-13-H2C-13-N
   61993.9600  0.0020 -5.7355 3  261.8973 81  58516 30340 635      39 732        C-13-H3C-13-H2C-13-N
   62002.6990  0.0058 -5.9247 3  101.3180 53  58516 30326 225      25 322        C-13-H3C-13-H2C-13-N
   62007.2005  0.0043 -7.4550 3  311.1748 89  58516 30344 639      45 442        C-13-H3C-13-H2C-13-N
   62021.1843  0.0092 -7.1900 3  478.4910113  58516 30356 552      57 255        C-13-H3C-13-H2C-13-N
   62042.6707  0.0023 -5.8014 3   51.2108 31  58516 30315 511      16 412        C-13-H3C-13-H2C-13-N
   62064.6518  0.0007 -4.2043 3    6.9635 15  58516 303 7 1 6       6 1 5        C-13-H3C-13-H2C-13-N
   62116.3430  0.0006 -5.5204 3    2.8801 11  58516 303 5 1 5       4 0 4        C-13-H3C-13-H2C-13-N
   62118.1756  0.0023 -5.8004 3   51.2083 31  58516 30315 510      16 413        C-13-H3C-13-H2C-13-N
   62169.5463  0.0047 -6.9592 3  365.1111 97  58516 30348 643      49 346        C-13-H3C-13-H2C-13-N
   62175.4679  0.0045 -5.9720 3   38.7361 33  58516 30316 115      16 116        C-13-H3C-13-H2C-13-N
   62296.3229  0.0041 -7.1969 3  339.7879 95  58516 30347 443      46 640        C-13-H3C-13-H2C-13-N
   62352.2571  0.0121 -7.1576 3  175.3419 69  58516 30334 232      35 135        C-13-H3C-13-H2C-13-N
   62365.9258  0.0063 -5.9710 3  108.9665 55  58516 30327 226      26 323        C-13-H3C-13-H2C-13-N
   62376.8541  0.0018 -4.9333 3   56.5661 39  58516 30319 217      19 118        C-13-H3C-13-H2C-13-N
   62390.6261  0.0024 -6.2893 3  584.2974113  58516 303561344      571245        C-13-H3C-13-H2C-13-N
   62390.6293  0.0024 -6.2893 3  584.2974113  58516 303561343      571246        C-13-H3C-13-H2C-13-N
   62412.7890  0.0041 -6.7940 3  242.3055 79  58516 30339 535      40 238        C-13-H3C-13-H2C-13-N
   62606.2920  0.0050 -7.3870 3  135.6817 59  58516 30329 426      30 229        C-13-H3C-13-H2C-13-N
   62666.4017  0.0020 -5.6520 3  198.8028 71  58516 30335 531      34 628        C-13-H3C-13-H2C-13-N
   62695.1513  0.0041 -7.3584 3  209.2391 73  58516 30336 532      37 335        C-13-H3C-13-H2C-13-N
   62723.2256  0.0009 -5.4515 3    6.9635 13  58516 303 6 2 4       6 1 5        C-13-H3C-13-H2C-13-N
   62810.8087  0.0027 -6.4789 3  726.2293133  58516 303661156      651253        C-13-H3C-13-H2C-13-N
   62812.8951  0.0027 -6.4788 3  726.2293133  58516 303661155      651254        C-13-H3C-13-H2C-13-N
   62841.1414  0.0039 -5.8471 3  261.0158 83  58516 30341 437      41 438        C-13-H3C-13-H2C-13-N
   62865.6330  0.0049 -6.7520 3  153.3439 63  58516 30331 428      32 131        C-13-H3C-13-H2C-13-N
   62897.1898  0.0074 -7.4894 3 1268.6047175  58516 303871573      861670        C-13-H3C-13-H2C-13-N
   62897.1990  0.0074 -7.4894 3 1268.6047175  58516 303871572      861671        C-13-H3C-13-H2C-13-N
   63020.4496  0.0237 -7.1167 3 1008.5278163  58516 30381 873      81 874        C-13-H3C-13-H2C-13-N
   63023.3780  0.0065 -7.5981 3  247.0759 81  58516 30340 437      41 240        C-13-H3C-13-H2C-13-N
   63036.5706  0.0020 -5.7207 3  261.8958 81  58516 30340 634      39 733        C-13-H3C-13-H2C-13-N
   63130.3561  0.0048 -5.7540 3  159.0669 65  58516 30332 329      32 330        C-13-H3C-13-H2C-13-N
   63143.9457  0.0024 -5.7173 3   85.3574 41  58516 30320 615      21 516        C-13-H3C-13-H2C-13-N
   63167.2858  0.0024 -5.7170 3   85.3566 41  58516 30320 614      21 517        C-13-H3C-13-H2C-13-N
   63657.8366  0.0028 -5.5583 3   50.9162 37  58516 30318 216      17 315        C-13-H3C-13-H2C-13-N
   63659.7082  0.0065 -6.8882 3  247.0546 81  58516 30340 437      41 140        C-13-H3C-13-H2C-13-N
   63742.7695  0.0028 -6.7570 3  155.8168 65  58516 30332 230      31 427        C-13-H3C-13-H2C-13-N
   63757.5630  0.0027 -6.4513 3  689.3495123  58516 303611448      621349        C-13-H3C-13-H2C-13-N
   63757.5638  0.0027 -6.4513 3  689.3495123  58516 303611447      621350        C-13-H3C-13-H2C-13-N
   63757.9379  0.0024 -5.6046 3  105.9837 53  58516 30326 324      25 421        C-13-H3C-13-H2C-13-N
   63849.5084  0.0008 -5.5310 3    5.1881 11  58516 303 5 2 3       5 1 4        C-13-H3C-13-H2C-13-N
   63892.8005  0.0032 -6.9398 3  233.3002 79  58516 30339 336      38 533        C-13-H3C-13-H2C-13-N
   63992.6715  0.0046 -7.5964 3  432.9313105  58516 30352 746      53 549        C-13-H3C-13-H2C-13-N
   64214.0032  0.0023 -5.6864 3  128.2111 51  58516 30325 719      26 620        C-13-H3C-13-H2C-13-N
   64220.7919  0.0023 -5.6863 3  128.2109 51  58516 30325 718      26 621        C-13-H3C-13-H2C-13-N
   64247.8781  0.0064 -7.2800 3  328.0131 95  58516 30347 245      46 442        C-13-H3C-13-H2C-13-N
   64712.4305  0.0024 -6.2614 3  618.3667123  58516 303611052      601149        C-13-H3C-13-H2C-13-N
   64720.6571  0.0024 -6.2613 3  618.3667123  58516 303611051      601150        C-13-H3C-13-H2C-13-N
   64862.0991  0.0008 -5.6326 3    3.7080  9  58516 303 4 2 2       4 1 3        C-13-H3C-13-H2C-13-N
   65063.3915  0.0020 -5.4752 3   25.4398 27  58516 30313 112      12 211        C-13-H3C-13-H2C-13-N
   65139.3136  0.0022 -4.8967 3   62.3776 41  58516 30320 218      20 119        C-13-H3C-13-H2C-13-N
   65164.7833  0.0049 -7.3510 3  127.1950 57  58516 30328 425      29 228        C-13-H3C-13-H2C-13-N
   65201.1249  0.0033 -6.6337 3  803.0426133  58516 303661552      671453        C-13-H3C-13-H2C-13-N
   65201.1251  0.0033 -6.6337 3  803.0426133  58516 303661551      671454        C-13-H3C-13-H2C-13-N
   65283.0361  0.0021 -5.6946 3  179.7671 61  58516 30330 823      31 724        C-13-H3C-13-H2C-13-N
   65283.2414  0.0056 -7.1827 3 1124.8716165  58516 303821469      811566        C-13-H3C-13-H2C-13-N
   65283.2814  0.0056 -7.1827 3 1124.8716165  58516 303821468      811567        C-13-H3C-13-H2C-13-N
   65284.9283  0.0021 -5.6946 3  179.7671 61  58516 30330 822      31 725        C-13-H3C-13-H2C-13-N
   65302.3638  0.0116 -7.1244 3  348.7598 97  58516 30348 345      49 248        C-13-H3C-13-H2C-13-N
   65335.9510  0.0069 -7.5992 3  258.8364 83  58516 30341 438      42 241        C-13-H3C-13-H2C-13-N
   65350.8943  0.0047 -6.7233 3  144.2810 61  58516 30330 427      31 130        C-13-H3C-13-H2C-13-N
   65529.0875  0.0098 -7.1835 3  494.8071115  58516 30357 553      58 256        C-13-H3C-13-H2C-13-N
   65720.8279  0.0008 -5.7740 3    2.5235  7  58516 303 3 2 1       3 1 2        C-13-H3C-13-H2C-13-N
   65848.4662  0.0068 -6.8887 3  258.8193 83  58516 30341 438      42 141        C-13-H3C-13-H2C-13-N
   65978.9936  0.0021 -5.6056 3  198.7976 71  58516 30335 530      34 629        C-13-H3C-13-H2C-13-N
   65996.2107  0.0149 -7.3866 3  580.4366125  58516 30362 458      63 361        C-13-H3C-13-H2C-13-N
   66203.5232  0.0053 -5.7457 3   88.8945 49  58516 30324 222      24 223        C-13-H3C-13-H2C-13-N
   66369.2310  0.0020 -5.7349 3  240.0197 71  58516 30335 927      36 828        C-13-H3C-13-H2C-13-N
   66369.7414  0.0020 -5.7349 3  240.0197 71  58516 30335 926      36 829        C-13-H3C-13-H2C-13-N
   66393.2879  0.0008 -6.0163 3    1.6348  5  58516 303 2 2 0       2 1 1        C-13-H3C-13-H2C-13-N
   66409.7045  0.0069 -7.5787 3   84.2480 47  58516 30323 321      24 124        C-13-H3C-13-H2C-13-N
   66440.8549  0.0097 -7.5087 3  704.2971135  58516 30367 860      68 563        C-13-H3C-13-H2C-13-N
   66488.9270  0.0065 -7.5691 3   77.6017 45  58516 30322 320      23 123        C-13-H3C-13-H2C-13-N
   66533.0369  0.0023 -6.0666 3  519.1489113  58516 30356 948      551045        C-13-H3C-13-H2C-13-N
   66564.4897  0.0023 -6.0662 3  519.1488113  58516 30356 947      551046        C-13-H3C-13-H2C-13-N
   66727.5795  0.0041 -6.8361 3  925.3645143  58516 303711655      721558        C-13-H3C-13-H2C-13-N
   66727.5795  0.0041 -6.8361 3  925.3645143  58516 303711656      721557        C-13-H3C-13-H2C-13-N
   66737.4708  0.0072 -7.5868 3   91.1672 49  58516 30324 322      25 125        C-13-H3C-13-H2C-13-N
   66848.5395  0.0058 -7.1594 3  512.5542115  58516 30357 751      58 454        C-13-H3C-13-H2C-13-N
   66949.1481  0.0115 -6.6426 3  776.4790143  58516 30371 764      71 765        C-13-H3C-13-H2C-13-N
   66986.9527  0.0062 -7.5583 3   71.2284 43  58516 30321 319      22 122        C-13-H3C-13-H2C-13-N
   67039.6205  0.0041 -6.0020 3  402.5796103  58516 30351 546      51 547        C-13-H3C-13-H2C-13-N
   67057.1908  0.0040 -5.1339 3   38.5733 33  58516 30316 115      16 016        C-13-H3C-13-H2C-13-N
   67062.2749  0.0054 -7.4077 3  482.1550113  58516 30356 551      55 748        C-13-H3C-13-H2C-13-N
   67133.7054  0.0007 -4.0796 3    8.5937 17  58516 303 8 1 8       7 1 7        C-13-H3C-13-H2C-13-N
   67279.5157  0.0040 -7.2963 3  198.6489 71  58516 30335 531      36 334        C-13-H3C-13-H2C-13-N
   67340.5067  0.0065 -6.5241 3  328.0131 95  58516 30347 345      46 442        C-13-H3C-13-H2C-13-N
   67369.4231  0.0067 -6.8855 3   84.2160 47  58516 30323 321      24 024        C-13-H3C-13-H2C-13-N
   67485.5371  0.0020 -5.8031 3  308.9623 81  58516 303401031      41 932        C-13-H3C-13-H2C-13-N
   67485.6710  0.0020 -5.8031 3  308.9623 81  58516 303401030      41 933        C-13-H3C-13-H2C-13-N
   67506.1189  0.0071 -6.8909 3   91.1415 49  58516 30324 322      25 025        C-13-H3C-13-H2C-13-N
   67553.6761  0.0044 -6.8980 3  989.7278155  58516 303771365      761462        C-13-H3C-13-H2C-13-N
   67553.8465  0.0044 -6.8980 3  989.7278155  58516 303771364      761463        C-13-H3C-13-H2C-13-N
   67568.8438  0.0040 -6.7372 3  230.8239 77  58516 30338 534      39 237        C-13-H3C-13-H2C-13-N
   67655.2151  0.0029 -5.5101 3   91.7156 49  58516 30324 321      23 420        C-13-H3C-13-H2C-13-N
   67683.4771  0.0064 -6.8793 3   77.5618 45  58516 30322 320      23 023        C-13-H3C-13-H2C-13-N
   67801.5958  0.0009 -6.0116 3    1.5876  5  58516 303 2 2 1       2 1 2        C-13-H3C-13-H2C-13-N
   67913.4121  0.0059 -7.5469 3   65.1285 41  58516 30320 318      21 121        C-13-H3C-13-H2C-13-N
   68072.3302  0.0074 -6.8951 3   98.3386 51  58516 30325 323      26 026        C-13-H3C-13-H2C-13-N
   68072.7941  0.0042 -7.3687 3  298.2154 87  58516 30343 638      44 441        C-13-H3C-13-H2C-13-N
   68174.3949  0.0047 -7.3147 3  118.9833 55  58516 30327 424      28 227        C-13-H3C-13-H2C-13-N
   68272.5628  0.0022 -5.8948 3  428.5869103  58516 30351 844      50 941        C-13-H3C-13-H2C-13-N
   68333.1518  0.0258 -7.5688 3  880.7437155  58516 30377 573      76 670        C-13-H3C-13-H2C-13-N
   68342.7188  0.0052 -7.0579 3 1056.3024153  58516 303761759      771662        C-13-H3C-13-H2C-13-N
   68342.7188  0.0052 -7.0579 3 1056.3024153  58516 303761760      771661        C-13-H3C-13-H2C-13-N
   68355.7381  0.0042 -7.2743 3  133.7231 57  58516 30328 523      29 326        C-13-H3C-13-H2C-13-N
   68357.3520  0.0014 -6.4565 3    7.3179  9  58516 303 4 3 2       5 2 3        C-13-H3C-13-H2C-13-N
   68360.9913  0.0072 -6.8877 3  270.8549 85  58516 30342 439      43 142        C-13-H3C-13-H2C-13-N
   68365.5301  0.0053 -6.2699 3  574.4454123  58516 30361 655      61 656        C-13-H3C-13-H2C-13-N
   68388.6723  0.0022 -5.8933 3  428.5868103  58516 30351 843      50 942        C-13-H3C-13-H2C-13-N
   68436.6469  0.0045 -6.6945 3  135.4872 59  58516 30329 426      30 129        C-13-H3C-13-H2C-13-N
   68460.1246  0.0026 -4.8592 3   68.4657 43  58516 30321 219      21 120        C-13-H3C-13-H2C-13-N
   68468.6390  0.0060 -6.8729 3   71.1790 43  58516 30321 319      22 022        C-13-H3C-13-H2C-13-N
   68475.4308  0.0037 -7.3487 3   64.5504 39  58516 30319 415      20 218        C-13-H3C-13-H2C-13-N
   68514.8920  0.0009 -5.7647 3    2.4290  7  58516 303 3 2 2       3 1 3        C-13-H3C-13-H2C-13-N
   68548.0598  0.0007 -4.0541 3    8.0435 17  58516 303 8 0 8       7 0 7        C-13-H3C-13-H2C-13-N
   68618.4175  0.0014 -6.4538 3    7.3092  9  58516 303 4 3 1       5 2 4        C-13-H3C-13-H2C-13-N
   68642.4623  0.0021 -5.8966 3  386.5874 91  58516 303451135      461036        C-13-H3C-13-H2C-13-N
   68642.4966  0.0021 -5.8966 3  386.5874 91  58516 303451134      461037        C-13-H3C-13-H2C-13-N
   69046.1431  0.0077 -6.8980 3  105.8073 53  58516 30326 324      27 027        C-13-H3C-13-H2C-13-N
   69071.3774  0.0007 -4.0812 3   11.0552 17  58516 303 8 2 7       7 2 6        C-13-H3C-13-H2C-13-N
   69213.9397  0.0007 -4.4600 3   34.9147 17  58516 303 8 6 2       7 6 1        C-13-H3C-13-H2C-13-N
   69213.9397  0.0007 -4.4600 3   34.9147 17  58516 303 8 6 3       7 6 2        C-13-H3C-13-H2C-13-N
   69214.2424  0.0007 -4.2991 3   26.7195 17  58516 303 8 5 4       7 5 3        C-13-H3C-13-H2C-13-N
   69214.2434  0.0007 -4.2991 3   26.7195 17  58516 303 8 5 3       7 5 2        C-13-H3C-13-H2C-13-N
   69218.5009  0.0007 -4.7512 3   44.5948 17  58516 303 8 7 1       7 7 0        C-13-H3C-13-H2C-13-N
   69218.5009  0.0007 -4.7512 3   44.5948 17  58516 303 8 7 2       7 7 1        C-13-H3C-13-H2C-13-N
   69223.4904  0.0007 -4.1948 3   20.0116 17  58516 303 8 4 5       7 4 4        C-13-H3C-13-H2C-13-N
   69223.6896  0.0007 -4.1948 3   20.0116 17  58516 303 8 4 4       7 4 3        C-13-H3C-13-H2C-13-N
   69246.4887  0.0007 -4.1245 3   14.7933 17  58516 303 8 3 6       7 3 5        C-13-H3C-13-H2C-13-N
   69257.9830  0.0106 -7.1775 3  511.3929117  58516 30358 554      59 257        C-13-H3C-13-H2C-13-N
   69264.9957  0.0007 -4.1243 3   14.7939 17  58516 303 8 3 5       7 3 4        C-13-H3C-13-H2C-13-N
   69272.3706  0.0126 -7.1058 3  185.2558 71  58516 30335 233      36 136        C-13-H3C-13-H2C-13-N
   69275.5592  0.0056 -7.5354 3   59.3020 39  58516 30319 317      20 120        C-13-H3C-13-H2C-13-N
   69386.3594  0.0048 -5.9008 3   43.4660 35  58516 30317 116      17 117        C-13-H3C-13-H2C-13-N
   69437.3260  0.0007 -5.3513 3    4.3170 13  58516 303 6 1 6       5 0 5        C-13-H3C-13-H2C-13-N
   69468.6145  0.0009 -5.6170 3    3.5506  9  58516 303 4 2 3       4 1 4        C-13-H3C-13-H2C-13-N
   69665.7895  0.0020 -5.9309 3   22.5948 19  58516 303 9 4 6      10 3 7        C-13-H3C-13-H2C-13-N
   69682.5168  0.0007 -4.0736 3   11.0862 17  58516 303 8 2 6       7 2 5        C-13-H3C-13-H2C-13-N
   69691.5831  0.0047 -6.8727 3  350.9381 95  58516 30347 642      48 345        C-13-H3C-13-H2C-13-N
   69716.1616  0.0035 -6.6354 3  863.1877145  58516 303721261      711358        C-13-H3C-13-H2C-13-N
   69716.8691  0.0035 -6.6354 3  863.1876145  58516 303721260      711359        C-13-H3C-13-H2C-13-N
   69744.1412  0.0057 -6.8672 3   65.0674 41  58516 30320 318      21 021        C-13-H3C-13-H2C-13-N
   69792.1654  0.0020 -5.9295 3   22.5906 19  58516 303 9 4 5      10 3 8        C-13-H3C-13-H2C-13-N
   69849.1742  0.0023 -6.0137 3  472.8866101  58516 303501239      511140        C-13-H3C-13-H2C-13-N
   69849.1828  0.0023 -6.0137 3  472.8866101  58516 303501238      511141        C-13-H3C-13-H2C-13-N
   69891.8441  0.0021 -5.7472 3  346.6912 93  58516 30346 740      45 837        C-13-H3C-13-H2C-13-N
   70051.8635  0.0067 -7.2990 3 1195.8422163  58516 303811863      821766        C-13-H3C-13-H2C-13-N
   70051.8635  0.0067 -7.2990 3 1195.8422163  58516 303811864      821765        C-13-H3C-13-H2C-13-N
   70126.6842  0.0021 -5.5166 3  153.1017 63  58516 30331 428      30 525        C-13-H3C-13-H2C-13-N
   70302.9205  0.0021 -5.7420 3  346.6906 93  58516 30346 739      45 838        C-13-H3C-13-H2C-13-N
   70367.9138  0.0040 -7.3010 3  227.7360 75  58516 30337 631      38 434        C-13-H3C-13-H2C-13-N
   70405.1287  0.0080 -6.8994 3  113.5477 55  58516 30327 325      28 028        C-13-H3C-13-H2C-13-N
   70582.1265  0.0099 -6.9482 3  571.2040125  58516 30362 459      61 556        C-13-H3C-13-H2C-13-N
   70588.8455  0.0062 -7.1371 3  314.4482 93  58516 30346 244      45 441        C-13-H3C-13-H2C-13-N
   70596.4735  0.0026 -5.5262 3  113.5413 55  58516 30327 325      26 422        C-13-H3C-13-H2C-13-N
   70664.8258  0.0009 -5.5079 3    4.9521 11  58516 303 5 2 4       5 1 5        C-13-H3C-13-H2C-13-N
   70851.5586  0.0023 -5.7266 3   46.5849 29  58516 30314 510      15 411        C-13-H3C-13-H2C-13-N
   70888.0487  0.0007 -4.0334 3    9.0338 17  58516 303 8 1 7       7 1 6        C-13-H3C-13-H2C-13-N
   70896.9593  0.0023 -5.7260 3   46.5834 29  58516 30314 5 9      15 412        C-13-H3C-13-H2C-13-N
   70991.6636  0.0040 -5.7868 3  273.1352 85  58516 30342 438      42 439        C-13-H3C-13-H2C-13-N
   71036.1670  0.0031 -6.6494 3  165.1773 67  58516 30333 231      32 428        C-13-H3C-13-H2C-13-N
   71039.1084  0.0048 -5.6910 3  168.5442 67  58516 30333 330      33 331        C-13-H3C-13-H2C-13-N
   71078.1119  0.0052 -7.5249 3   53.7492 37  58516 30318 316      19 119        C-13-H3C-13-H2C-13-N
   71094.2367  0.0024 -5.4908 3  144.3881 61  58516 30330 426      29 525        C-13-H3C-13-H2C-13-N
   71113.9544  0.0024 -6.1531 3  567.8507111  58516 303551343      561244        C-13-H3C-13-H2C-13-N
   71113.9565  0.0024 -6.1531 3  567.8507111  58516 303551342      561245        C-13-H3C-13-H2C-13-N
   71171.7809  0.0077 -6.8856 3  283.1613 87  58516 30343 440      44 143        C-13-H3C-13-H2C-13-N
   71222.2552  0.0021 -5.6270 3  273.4714 83  58516 30341 636      40 733        C-13-H3C-13-H2C-13-N
   71397.9876  0.0045 -7.4908 3  417.6149103  58516 30351 745      52 548        C-13-H3C-13-H2C-13-N
   71418.9291  0.0265 -7.0750 3 1032.2405165  58516 30382 874      82 875        C-13-H3C-13-H2C-13-N
   71527.7539  0.0053 -6.8634 3   59.2269 39  58516 30319 317      20 020        C-13-H3C-13-H2C-13-N
   71588.9750  0.0077 -7.4229 3 1293.6155177  58516 303881574      871671        C-13-H3C-13-H2C-13-N
   71588.9876  0.0077 -7.4229 3 1293.6155177  58516 303881573      871672        C-13-H3C-13-H2C-13-N
   71629.6615  0.0045 -7.2790 3  111.0468 53  58516 30326 423      27 226        C-13-H3C-13-H2C-13-N
   71663.9642  0.0010 -5.1339 3   13.3508 21  58516 30310 010       9 1 9        C-13-H3C-13-H2C-13-N
   71739.0399  0.0021 -5.5427 3  208.9375 73  58516 30336 532      35 629        C-13-H3C-13-H2C-13-N
   71779.9655  0.0028 -6.3947 3  745.2649135  58516 303671157      661254        C-13-H3C-13-H2C-13-N
   71782.8238  0.0028 -6.3947 3  745.2649135  58516 303671156      661255        C-13-H3C-13-H2C-13-N
   71959.7721  0.0024 -5.6271 3   79.2861 39  58516 30319 614      20 515        C-13-H3C-13-H2C-13-N
   71974.1793  0.0024 -5.6269 3   79.2856 39  58516 30319 613      20 516        C-13-H3C-13-H2C-13-N
   72105.8364  0.0010 -5.4193 3    6.6332 13  58516 303 6 2 5       6 1 6        C-13-H3C-13-H2C-13-N
   72126.4930  0.0083 -6.8995 3  121.5598 57  58516 30328 326      29 029        C-13-H3C-13-H2C-13-N
   72140.4643  0.0043 -6.6669 3  126.9624 57  58516 30328 425      29 128        C-13-H3C-13-H2C-13-N
   72284.9891  0.0039 -7.2365 3  188.3359 69  58516 30334 530      35 333        C-13-H3C-13-H2C-13-N
   72349.8807  0.0030 -4.8211 3   74.8287 45  58516 30322 220      22 121        C-13-H3C-13-H2C-13-N
   72444.4050  0.0027 -6.3139 3  671.4693121  58516 303601447      611348        C-13-H3C-13-H2C-13-N
   72444.4055  0.0027 -6.3139 3  671.4693121  58516 303601446      611349        C-13-H3C-13-H2C-13-N
   72565.8859  0.0123 -7.0751 3  362.6906 99  58516 30349 346      50 249        C-13-H3C-13-H2C-13-N
   72602.5037  0.0020 -5.6099 3  273.4693 83  58516 30341 635      40 734        C-13-H3C-13-H2C-13-N
   73033.5701  0.0023 -5.5869 3  120.6950 49  58516 30324 718      25 619        C-13-H3C-13-H2C-13-N
   73037.8302  0.0023 -5.5868 3  120.6949 49  58516 30324 717      25 620        C-13-H3C-13-H2C-13-N
   73184.9643  0.0113 -7.1726 3  528.2483119  58516 30359 555      60 258        C-13-H3C-13-H2C-13-N
   73275.8257  0.0158 -7.3432 3  598.3698127  58516 30363 459      64 362        C-13-H3C-13-H2C-13-N
   73323.1331  0.0049 -7.5163 3   48.4704 35  58516 30317 315      18 118        C-13-H3C-13-H2C-13-N
   73440.3977  0.0039 -6.6835 3  219.6090 75  58516 30337 533      38 236        C-13-H3C-13-H2C-13-N
   73448.5898  0.0043 -5.0723 3   43.3305 35  58516 30317 116      17 017        C-13-H3C-13-H2C-13-N
   73755.6890  0.0024 -6.1760 3  635.9725125  58516 303621053      611150        C-13-H3C-13-H2C-13-N
   73766.9056  0.0024 -6.1759 3  635.9725125  58516 303621052      611151        C-13-H3C-13-H2C-13-N
   73794.0376  0.0011 -5.3436 3    8.5937 15  58516 303 7 2 6       7 1 7        C-13-H3C-13-H2C-13-N
   73835.3267  0.0049 -6.8629 3   53.6572 37  58516 30318 316      19 019        C-13-H3C-13-H2C-13-N
   73847.5517  0.0032 -6.4953 3  783.7314131  58516 303651551      661452        C-13-H3C-13-H2C-13-N
   73847.5519  0.0032 -6.4953 3  783.7314131  58516 303651550      661453        C-13-H3C-13-H2C-13-N
   73916.8889  0.0055 -5.6816 3   96.0019 51  58516 30325 223      25 224        C-13-H3C-13-H2C-13-N
   74048.3326  0.0059 -7.1160 3 1148.4651167  58516 303831470      821567        C-13-H3C-13-H2C-13-N
   74048.3876  0.0059 -7.1160 3 1148.4651167  58516 303831469      821568        C-13-H3C-13-H2C-13-N
   74100.0312  0.0022 -5.5888 3  170.8070 59  58516 30329 822      30 723        C-13-H3C-13-H2C-13-N
   74101.2324  0.0022 -5.5888 3  170.8069 59  58516 30329 821      30 724        C-13-H3C-13-H2C-13-N
   74187.2206  0.0086 -6.8985 3  129.8436 59  58516 30329 327      30 030        C-13-H3C-13-H2C-13-N
   74255.9310  0.0083 -6.8829 3  295.7385 89  58516 30344 441      45 144        C-13-H3C-13-H2C-13-N
   74324.3030  0.0064 -6.3751 3  314.4482 93  58516 30346 344      45 441        C-13-H3C-13-H2C-13-N
   74511.6983  0.0041 -7.2874 3  285.5353 85  58516 30342 637      43 440        C-13-H3C-13-H2C-13-N
   74554.9087  0.0043 -7.3936 3  346.5488 93  58516 30346 739      47 542        C-13-H3C-13-H2C-13-N
   75177.0742  0.0020 -5.6243 3  229.6166 69  58516 30334 926      35 827        C-13-H3C-13-H2C-13-N
   75177.4010  0.0020 -5.6243 3  229.6166 69  58516 30334 925      35 828        C-13-H3C-13-H2C-13-N
   75195.5870  0.0033 -6.7740 3  244.6674 81  58516 30340 337      39 534        C-13-H3C-13-H2C-13-N
   75329.8966  0.0039 -6.6968 3  904.6249141  58516 303701654      711557        C-13-H3C-13-H2C-13-N
   75329.8966  0.0039 -6.6968 3  904.6249141  58516 303701655      711556        C-13-H3C-13-H2C-13-N
   75482.9233  0.0008 -3.9302 3   10.8330 19  58516 303 9 1 9       8 1 8        C-13-H3C-13-H2C-13-N
   75522.2330  0.0043 -7.2449 3  103.3862 51  58516 30325 422      26 225        C-13-H3C-13-H2C-13-N
   75640.8712  0.0043 -5.9482 3  417.6149105  58516 30352 547      52 548        C-13-H3C-13-H2C-13-N
   75652.6699  0.0023 -5.9796 3  535.3225115  58516 30357 949      561046        C-13-H3C-13-H2C-13-N
   75693.1406  0.0130 -6.5978 3  797.3140145  58516 30372 765      72 766        C-13-H3C-13-H2C-13-N
   75695.2930  0.0023 -5.9791 3  535.3225115  58516 30357 948      561047        C-13-H3C-13-H2C-13-N
   75731.7095  0.0012 -5.2767 3   10.8330 17  58516 303 8 2 7       8 1 8        C-13-H3C-13-H2C-13-N
   75746.6034  0.0030 -5.3804 3   56.1201 39  58516 30319 217      18 316        C-13-H3C-13-H2C-13-N
   76009.9638  0.0045 -7.5109 3   43.4660 33  58516 30316 314      17 117        C-13-H3C-13-H2C-13-N
   76046.1835  0.0021 -5.4899 3  208.9302 73  58516 30336 531      35 630        C-13-H3C-13-H2C-13-N
   76096.1566  0.0132 -7.0630 3  195.4415 73  58516 30336 234      37 137        C-13-H3C-13-H2C-13-N
   76274.3887  0.0060 -7.0089 3  301.1734 91  58516 30345 243      44 440        C-13-H3C-13-H2C-13-N
   76278.1156  0.0020 -5.6888 3  297.1177 79  58516 303391030      40 931        C-13-H3C-13-H2C-13-N
   76278.2020  0.0020 -5.6888 3  297.1177 79  58516 303391029      40 932        C-13-H3C-13-H2C-13-N
   76280.5573  0.0041 -7.0020 3  353.4595 97  58516 30348 444      47 641        C-13-H3C-13-H2C-13-N
   76392.1835  0.0046 -6.8306 3 1011.9007157  58516 303781366      771463        C-13-H3C-13-H2C-13-N
   76392.4173  0.0046 -6.8306 3 1011.9007157  58516 303781365      771464        C-13-H3C-13-H2C-13-N
   76427.5887  0.0021 -5.2850 3   29.1739 29  58516 30314 113      13 212        C-13-H3C-13-H2C-13-N
   76475.9859  0.0041 -6.6422 3  118.7064 55  58516 30327 424      28 127        C-13-H3C-13-H2C-13-N
   76564.2200  0.0090 -6.8965 3  138.3992 61  58516 30330 328      31 031        C-13-H3C-13-H2C-13-N
   76597.0900  0.0008 -5.2016 3    6.0386 15  58516 303 7 1 7       6 0 6        C-13-H3C-13-H2C-13-N
   76680.1630  0.0045 -6.8675 3   48.3585 35  58516 30317 315      18 018        C-13-H3C-13-H2C-13-N
   76810.5174  0.0034 -4.7827 3   81.4650 47  58516 30323 221      23 122        C-13-H3C-13-H2C-13-N
   76825.8858  0.0051 -5.8341 3   48.4704 37  58516 30318 117      18 118        C-13-H3C-13-H2C-13-N
   76897.4446  0.0050 -6.9179 3 1034.1371151  58516 303751758      761661        C-13-H3C-13-H2C-13-N
   76897.4446  0.0050 -6.9179 3 1034.1371151  58516 303751759      761660        C-13-H3C-13-H2C-13-N
   76941.6948  0.0008 -3.9079 3   10.3300 19  58516 303 9 0 9       8 0 8        C-13-H3C-13-H2C-13-N
   76992.8099  0.0058 -7.0490 3  495.6898113  58516 30356 750      57 453        C-13-H3C-13-H2C-13-N
   77020.5415  0.0028 -5.4645 3  121.3965 57  58516 30328 326      27 423        C-13-H3C-13-H2C-13-N
   77118.2688  0.0014 -6.7286 3    5.8715  7  58516 303 3 3 1       4 2 2        C-13-H3C-13-H2C-13-N
   77172.0739  0.0058 -6.2211 3  592.3869125  58516 30362 656      62 657        C-13-H3C-13-H2C-13-N
   77230.1927  0.0014 -6.7276 3    5.8678  7  58516 303 3 3 0       4 2 3        C-13-H3C-13-H2C-13-N
   77288.3457  0.0122 -7.1689 3  545.3735121  58516 30360 556      61 259        C-13-H3C-13-H2C-13-N
   77343.8690  0.0034 -6.5710 3  174.8418 69  58516 30334 232      33 429        C-13-H3C-13-H2C-13-N
   77414.2171  0.0021 -5.7793 3  373.3029 89  58516 303441134      451035        C-13-H3C-13-H2C-13-N
   77414.2394  0.0021 -5.7793 3  373.3029 89  58516 303441133      451036        C-13-H3C-13-H2C-13-N
   77467.7278  0.0022 -5.8059 3  443.3262105  58516 30352 845      51 942        C-13-H3C-13-H2C-13-N
   77589.2593  0.0089 -6.8800 3  308.5867 91  58516 30345 442      46 145        C-13-H3C-13-H2C-13-N
   77623.8446  0.0022 -5.8041 3  443.3260105  58516 30352 844      51 943        C-13-H3C-13-H2C-13-N
   77672.0288  0.0008 -3.9272 3   13.3591 19  58516 303 9 2 8       8 2 7        C-13-H3C-13-H2C-13-N
   77694.9669  0.0038 -7.1797 3  178.3008 67  58516 30333 529      34 332        C-13-H3C-13-H2C-13-N
   77869.3687  0.0008 -4.2079 3   37.2234 19  58516 303 9 6 3       8 6 2        C-13-H3C-13-H2C-13-N
   77869.3687  0.0008 -4.2079 3   37.2234 19  58516 303 9 6 4       8 6 3        C-13-H3C-13-H2C-13-N
   77872.1985  0.0008 -4.0958 3   29.0282 19  58516 303 9 5 5       8 5 4        C-13-H3C-13-H2C-13-N
   77872.2017  0.0008 -4.0958 3   29.0282 19  58516 303 9 5 4       8 5 3        C-13-H3C-13-H2C-13-N
   77873.0291  0.0008 -4.3761 3   46.9037 19  58516 303 9 7 2       8 7 1        C-13-H3C-13-H2C-13-N
   77873.0291  0.0008 -4.3761 3   46.9037 19  58516 303 9 7 3       8 7 2        C-13-H3C-13-H2C-13-N
   77880.8371  0.0008 -4.6739 3   58.0660 19  58516 303 9 8 1       8 8 0        C-13-H3C-13-H2C-13-N
   77880.8371  0.0008 -4.6739 3   58.0660 19  58516 303 9 8 2       8 8 1        C-13-H3C-13-H2C-13-N
   77887.2402  0.0008 -4.0170 3   22.3206 19  58516 303 9 4 6       8 4 5        C-13-H3C-13-H2C-13-N
   77887.7177  0.0008 -4.0170 3   22.3206 19  58516 303 9 4 5       8 4 4        C-13-H3C-13-H2C-13-N
   77917.9760  0.0008 -3.9613 3   17.1031 19  58516 303 9 3 7       8 3 6        C-13-H3C-13-H2C-13-N
   77920.8150  0.0014 -5.2162 3   13.3508 19  58516 303 9 2 8       9 1 9        C-13-H3C-13-H2C-13-N
   77951.8129  0.0008 -3.9610 3   17.1043 19  58516 303 9 3 6       8 3 5        C-13-H3C-13-H2C-13-N
   77997.3010  0.0047 -6.7934 3  337.0299 93  58516 30346 641      47 344        C-13-H3C-13-H2C-13-N
   78429.4247  0.0019 -5.9215 3   19.7045 17  58516 303 8 4 5       9 3 6        C-13-H3C-13-H2C-13-N
   78497.5312  0.0019 -5.9208 3   19.7022 17  58516 303 8 4 4       9 3 7        C-13-H3C-13-H2C-13-N
   78498.7602  0.0021 -5.4261 3  162.0911 65  58516 30332 429      31 526        C-13-H3C-13-H2C-13-N
   78532.4178  0.0008 -3.9177 3   13.4106 19  58516 303 9 2 7       8 2 6        C-13-H3C-13-H2C-13-N
   78551.0215  0.0094 -7.3696 3  684.4838133  58516 30366 859      67 562        C-13-H3C-13-H2C-13-N
   78555.7148  0.0064 -7.1584 3 1172.2542161  58516 303801862      811765        C-13-H3C-13-H2C-13-N
   78555.7148  0.0064 -7.1584 3 1172.2542161  58516 303801863      811764        C-13-H3C-13-H2C-13-N
   78595.0311  0.0022 -5.8939 3  458.1639 99  58516 303491238      501139        C-13-H3C-13-H2C-13-N
   78595.0368  0.0022 -5.8939 3  458.1639 99  58516 303491237      501140        C-13-H3C-13-H2C-13-N
   78628.8736  0.0037 -6.5669 3  883.9370147  58516 303731262      721359        C-13-H3C-13-H2C-13-N
   78629.8415  0.0037 -6.5669 3  883.9370147  58516 303731261      721360        C-13-H3C-13-H2C-13-N
   78957.6685  0.0238 -7.3801 3  858.5214153  58516 30376 572      75 669        C-13-H3C-13-H2C-13-N
   79112.0491  0.0044 -7.3932 3  402.5796101  58516 30350 744      51 547        C-13-H3C-13-H2C-13-N
   79146.3554  0.0022 -5.6562 3  359.9942 95  58516 30347 741      46 838        C-13-H3C-13-H2C-13-N
   79234.4704  0.0094 -6.8939 3  147.2266 63  58516 30331 329      32 032        C-13-H3C-13-H2C-13-N
   79346.2327  0.0049 -5.6331 3  178.3008 69  58516 30334 331      34 332        C-13-H3C-13-H2C-13-N
   79531.4456  0.0031 -5.3615 3   98.6651 51  58516 30325 322      24 421        C-13-H3C-13-H2C-13-N
   79615.9572  0.0041 -5.7320 3  285.5353 87  58516 30343 439      43 440        C-13-H3C-13-H2C-13-N
   79629.1524  0.0023 -5.6724 3   42.2493 27  58516 30313 5 9      14 410        C-13-H3C-13-H2C-13-N
   79636.4883  0.0130 -7.0364 3  376.8922101  58516 30350 347      51 250        C-13-H3C-13-H2C-13-N
   79655.4822  0.0023 -5.6721 3   42.2484 27  58516 30313 5 8      14 411        C-13-H3C-13-H2C-13-N
   79692.7429  0.0008 -3.8844 3   11.3984 19  58516 303 9 1 8       8 1 7        C-13-H3C-13-H2C-13-N
   79693.4759  0.0022 -5.6501 3  359.9934 95  58516 30347 740      46 839        C-13-H3C-13-H2C-13-N
   79829.2405  0.0024 -6.0311 3  551.6918109  58516 303541342      551243        C-13-H3C-13-H2C-13-N
   79829.2419  0.0024 -6.0311 3  551.6918109  58516 303541341      551244        C-13-H3C-13-H2C-13-N
   79840.9826  0.0042 -7.2134 3   96.0019 49  58516 30324 421      25 224        C-13-H3C-13-H2C-13-N
   80009.1644  0.0094 -6.7770 3  553.2779123  58516 30361 458      60 555        C-13-H3C-13-H2C-13-N
   80032.0727  0.0038 -6.6342 3  208.6608 73  58516 30336 532      37 235        C-13-H3C-13-H2C-13-N
   80072.1942  0.0042 -6.8792 3   43.3305 33  58516 30316 314      17 017        C-13-H3C-13-H2C-13-N
   80182.9157  0.0047 -5.0141 3   48.3585 37  58516 30318 117      18 018        C-13-H3C-13-H2C-13-N
   80288.4943  0.0081 -7.3701 3 1318.9103179  58516 303891575      881672        C-13-H3C-13-H2C-13-N
   80288.5116  0.0081 -7.3701 3 1318.9103179  58516 303891574      881673        C-13-H3C-13-H2C-13-N
   80309.7408  0.0084 -7.4179 3 1318.9617171  58516 303851966      861869        C-13-H3C-13-H2C-13-N
   80309.7408  0.0084 -7.4179 3 1318.9617171  58516 303851967      861868        C-13-H3C-13-H2C-13-N
   80330.0427  0.0169 -7.3111 3  616.5727129  58516 30364 460      65 363        C-13-H3C-13-H2C-13-N
   80362.7843  0.0015 -5.1607 3   16.1467 21  58516 30310 2 9      10 110        C-13-H3C-13-H2C-13-N
   80469.3605  0.0021 -5.5342 3  285.3366 85  58516 30342 637      41 734        C-13-H3C-13-H2C-13-N
   80477.5606  0.0295 -7.0388 3 1056.2347167  58516 30383 875      83 876        C-13-H3C-13-H2C-13-N
   80598.8444  0.0037 -7.2878 3   58.6468 37  58516 30318 414      19 217        C-13-H3C-13-H2C-13-N
   80751.1553  0.0024 -5.5540 3   73.5051 37  58516 30318 613      19 514        C-13-H3C-13-H2C-13-N
   80759.8226  0.0024 -5.5539 3   73.5048 37  58516 30318 612      19 515        C-13-H3C-13-H2C-13-N
   80768.5825  0.0029 -6.3248 3  764.5880137  58516 303681158      671255        C-13-H3C-13-H2C-13-N
   80772.4772  0.0029 -6.3247 3  764.5880137  58516 303681157      671256        C-13-H3C-13-H2C-13-N
   80773.3769  0.0062 -6.2387 3  301.1734 91  58516 30345 343      44 440        C-13-H3C-13-H2C-13-N
   80780.7303  0.0021 -5.4493 3  219.3641 75  58516 30337 533      36 630        C-13-H3C-13-H2C-13-N
   81124.7816  0.0026 -6.1899 3  653.8764119  58516 303591446      601347        C-13-H3C-13-H2C-13-N
   81124.7819  0.0026 -6.1899 3  653.8764119  58516 303591445      601348        C-13-H3C-13-H2C-13-N
   81148.4231  0.0095 -6.8773 3  321.7057 93  58516 30346 443      47 146        C-13-H3C-13-H2C-13-N
   81227.6938  0.0059 -6.8942 3  288.1910 89  58516 30344 242      43 439        C-13-H3C-13-H2C-13-N
   81301.6286  0.0040 -7.2115 3  273.1352 83  58516 30341 636      42 439        C-13-H3C-13-H2C-13-N
   81421.4864  0.0011 -4.9681 3   16.1467 23  58516 30311 011      10 110        C-13-H3C-13-H2C-13-N
   81451.7436  0.0039 -6.6217 3  110.7192 53  58516 30326 423      27 126        C-13-H3C-13-H2C-13-N
   81547.7197  0.0130 -7.1667 3  562.7683123  58516 30361 557      62 260        C-13-H3C-13-H2C-13-N
   81640.5433  0.0042 -7.1663 3  125.1700 55  58516 30327 522      28 325        C-13-H3C-13-H2C-13-N
   81832.6600  0.0024 -5.5029 3  113.4690 47  58516 30323 717      24 618        C-13-H3C-13-H2C-13-N
   81833.8856  0.0038 -4.7445 3   88.3732 49  58516 30324 222      24 123        C-13-H3C-13-H2C-13-N
   81835.2806  0.0024 -5.5029 3  113.4689 47  58516 30323 716      24 619        C-13-H3C-13-H2C-13-N
   81933.0949  0.0056 -5.6219 3  103.3862 53  58516 30326 224      26 225        C-13-H3C-13-H2C-13-N
   82137.3675  0.0025 -5.3678 3  153.0770 63  58516 30331 427      30 526        C-13-H3C-13-H2C-13-N
   82175.1722  0.0098 -6.8908 3  156.3258 65  58516 30332 330      33 033        C-13-H3C-13-H2C-13-N
   82281.5575  0.0021 -5.5143 3  285.3337 85  58516 30342 636      41 735        C-13-H3C-13-H2C-13-N
   82488.9647  0.0031 -6.3696 3  764.7068129  58516 303641550      651451        C-13-H3C-13-H2C-13-N
   82488.9648  0.0031 -6.3696 3  764.7068129  58516 303641549      651452        C-13-H3C-13-H2C-13-N
   82605.1610  0.0038 -6.5184 3  184.8111 71  58516 30335 233      34 430        C-13-H3C-13-H2C-13-N
   82799.1363  0.0139 -7.0277 3  205.8989 75  58516 30337 235      38 138        C-13-H3C-13-H2C-13-N
   82814.9506  0.0055 -7.2163 3  498.4230115  58516 30357 552      56 749        C-13-H3C-13-H2C-13-N
   82822.8858  0.0025 -6.1044 3  653.8666127  58516 303631054      621151        C-13-H3C-13-H2C-13-N
   82823.5585  0.0061 -7.0622 3 1172.3434169  58516 303841471      831568        C-13-H3C-13-H2C-13-N
   82823.6338  0.0061 -7.0622 3 1172.3434169  58516 303841470      831569        C-13-H3C-13-H2C-13-N
   82838.0914  0.0025 -6.1042 3  653.8666127  58516 303631053      621152        C-13-H3C-13-H2C-13-N
   82899.4544  0.0022 -5.4974 3  162.1367 57  58516 30328 821      29 722        C-13-H3C-13-H2C-13-N
   82900.2047  0.0022 -5.4974 3  162.1367 57  58516 30328 820      29 723        C-13-H3C-13-H2C-13-N
   82974.0334  0.0030 -5.4180 3  129.5505 59  58516 30329 327      28 424        C-13-H3C-13-H2C-13-N
   83058.3020  0.0017 -5.1093 3   19.2203 23  58516 30311 210      11 111        C-13-H3C-13-H2C-13-N
   83490.6306  0.0038 -7.1265 3  168.5442 65  58516 30332 528      33 331        C-13-H3C-13-H2C-13-N
   83626.8624  0.0009 -5.0667 3    8.0435 17  58516 303 8 1 8       7 0 7        C-13-H3C-13-H2C-13-N
   83819.0753  0.0009 -3.7980 3   13.3508 21  58516 30310 110       9 1 9        C-13-H3C-13-H2C-13-N
   83928.5418  0.0038 -6.5697 3  884.1712139  58516 303691654      701555        C-13-H3C-13-H2C-13-N
   83928.5419  0.0038 -6.5697 3  884.1712139  58516 303691653      701556        C-13-H3C-13-H2C-13-N
   83969.7747  0.0020 -5.5275 3  219.5032 67  58516 30333 925      34 826        C-13-H3C-13-H2C-13-N
   83969.9811  0.0020 -5.5275 3  219.5032 67  58516 30333 924      34 827        C-13-H3C-13-H2C-13-N
   84016.9382  0.0038 -6.9003 3   38.5733 31  58516 30315 313      16 016        C-13-H3C-13-H2C-13-N
   84149.1572  0.0009 -5.5682 3    1.0423  5  58516 303 2 2 1       1 1 0        C-13-H3C-13-H2C-13-N
   84419.2218  0.0040 -7.1673 3  216.5482 73  58516 30336 630      37 433        C-13-H3C-13-H2C-13-N
   84447.8612  0.0053 -5.7716 3   53.7492 39  58516 30319 118      19 119        C-13-H3C-13-H2C-13-N
   84572.1704  0.0040 -7.1852 3   88.8945 47  58516 30323 420      24 223        C-13-H3C-13-H2C-13-N
   84628.5588  0.0009 -5.5678 3    1.0266  5  58516 303 2 2 0       1 1 1        C-13-H3C-13-H2C-13-N
   84764.8464  0.0045 -5.8998 3  432.9313107  58516 30353 548      53 549        C-13-H3C-13-H2C-13-N
   84801.1949  0.0023 -5.9059 3  551.7852117  58516 30358 950      571047        C-13-H3C-13-H2C-13-N
   84858.6011  0.0023 -5.9053 3  551.7851117  58516 30358 949      571048        C-13-H3C-13-H2C-13-N
   84911.0298  0.0102 -6.8751 3  335.0955 95  58516 30347 444      48 147        C-13-H3C-13-H2C-13-N
   85057.6984  0.0020 -5.5876 3  285.5624 77  58516 303381029      39 930        C-13-H3C-13-H2C-13-N
   85057.7534  0.0020 -5.5876 3  285.5624 77  58516 303381028      39 931        C-13-H3C-13-H2C-13-N
   85060.2942  0.0146 -6.5585 3  818.4306147  58516 30373 766      73 767        C-13-H3C-13-H2C-13-N
   85243.6303  0.0048 -6.7756 3 1034.3594159  58516 303791367      781464        C-13-H3C-13-H2C-13-N
   85243.9497  0.0048 -6.7756 3 1034.3594159  58516 303791366      781465        C-13-H3C-13-H2C-13-N
   85283.9953  0.0009 -3.7785 3   12.8965 21  58516 30310 010       9 0 9        C-13-H3C-13-H2C-13-N
   85361.2856  0.0010 -4.6334 3  106.1191 53  58516 30326 323      26 224        C-13-H3C-13-H2C-13-N
   85363.8984  0.0104 -6.8876 3  165.6968 67  58516 30333 331      34 034        C-13-H3C-13-H2C-13-N
   85374.5868  0.0058 -6.7925 3  275.5032 87  58516 30343 241      42 438        C-13-H3C-13-H2C-13-N
   85449.7435  0.0048 -6.7895 3 1012.2570149  58516 303741757      751660        C-13-H3C-13-H2C-13-N
   85449.7435  0.0048 -6.7895 3 1012.2570149  58516 303741758      751659        C-13-H3C-13-H2C-13-N
   85455.5392  0.0010 -4.6398 3   98.4675 51  58516 30325 322      25 223        C-13-H3C-13-H2C-13-N
   85756.4326  0.0033 -6.6406 3  256.3365 83  58516 30341 338      40 535        C-13-H3C-13-H2C-13-N
   85786.3860  0.0012 -4.6256 3  114.0559 55  58516 30327 324      27 225        C-13-H3C-13-H2C-13-N
   85943.9991  0.0140 -7.1661 3  580.4327125  58516 30362 558      63 261        C-13-H3C-13-H2C-13-N
   85951.0359  0.0087 -7.3718 3  535.6310121  58516 30360 357      59 554        C-13-H3C-13-H2C-13-N
   86007.1053  0.0019 -5.0611 3   22.5709 25  58516 30312 211      12 112        C-13-H3C-13-H2C-13-N
   86023.8623  0.0010 -4.6452 3   91.1028 49  58516 30324 321      24 222        C-13-H3C-13-H2C-13-N
   86174.9160  0.0021 -5.6745 3  360.3072 87  58516 303431133      441034        C-13-H3C-13-H2C-13-N
   86174.9303  0.0021 -5.6745 3  360.3072 87  58516 303431132      441035        C-13-H3C-13-H2C-13-N
   86261.0446  0.0009 -3.7918 3   15.9500 21  58516 30310 2 9       9 2 8        C-13-H3C-13-H2C-13-N
   86328.3017  0.0021 -5.3886 3  219.3541 75  58516 30337 532      36 631        C-13-H3C-13-H2C-13-N
   86512.1743  0.0138 -7.0065 3  391.3647103  58516 30351 348      52 251        C-13-H3C-13-H2C-13-N
   86526.0952  0.0009 -4.0148 3   39.8209 21  58516 30310 6 5       9 6 4        C-13-H3C-13-H2C-13-N
   86526.0953  0.0009 -4.0148 3   39.8209 21  58516 30310 6 4       9 6 3        C-13-H3C-13-H2C-13-N
   86528.3363  0.0009 -4.1336 3   49.5012 21  58516 30310 7 3       9 7 2        C-13-H3C-13-H2C-13-N
   86528.3363  0.0009 -4.1336 3   49.5012 21  58516 30310 7 4       9 7 3        C-13-H3C-13-H2C-13-N
   86532.3289  0.0009 -3.9288 3   31.6257 21  58516 30310 5 6       9 5 5        C-13-H3C-13-H2C-13-N
   86532.3379  0.0009 -3.9288 3   31.6257 21  58516 30310 5 5       9 5 4        C-13-H3C-13-H2C-13-N
   86535.8412  0.0009 -4.3080 3   60.6638 21  58516 30310 8 2       9 8 1        C-13-H3C-13-H2C-13-N
   86535.8412  0.0009 -4.3080 3   60.6638 21  58516 30310 8 3       9 8 2        C-13-H3C-13-H2C-13-N
   86547.1243  0.0009 -4.6118 3   73.3055 21  58516 30310 9 1       9 9 0        C-13-H3C-13-H2C-13-N
   86547.1243  0.0009 -4.6118 3   73.3055 21  58516 30310 9 2       9 9 1        C-13-H3C-13-H2C-13-N
   86553.2357  0.0063 -6.1778 3  610.6099127  58516 30363 657      63 658        C-13-H3C-13-H2C-13-N
   86554.7161  0.0009 -3.8654 3   24.9186 21  58516 30310 4 7       9 4 6        C-13-H3C-13-H2C-13-N
   86555.7490  0.0009 -3.8654 3   24.9187 21  58516 30310 4 6       9 4 5        C-13-H3C-13-H2C-13-N
   86593.0835  0.0009 -3.8194 3   19.7022 21  58516 30310 3 8       9 3 7        C-13-H3C-13-H2C-13-N
   86629.4088  0.0061 -6.1132 3  288.1910 89  58516 30344 342      43 439        C-13-H3C-13-H2C-13-N
   86650.8754  0.0009 -3.8188 3   19.7045 21  58516 30310 3 7       9 3 6        C-13-H3C-13-H2C-13-N
   86687.9205  0.0022 -5.3497 3  171.3747 67  58516 30333 430      32 527        C-13-H3C-13-H2C-13-N
   86695.9041  0.0023 -5.7300 3  458.3552107  58516 30353 846      52 943        C-13-H3C-13-H2C-13-N
   86769.4365  0.0014 -4.6162 3  122.2757 57  58516 30328 325      28 226        C-13-H3C-13-H2C-13-N
   86775.9264  0.0041 -6.4890 3  195.0853 73  58516 30336 234      35 431        C-13-H3C-13-H2C-13-N
   86904.4273  0.0023 -5.7279 3  458.3550107  58516 30353 845      52 944        C-13-H3C-13-H2C-13-N
   87014.1755  0.0012 -4.6498 3   84.0271 47  58516 30323 320      23 221        C-13-H3C-13-H2C-13-N
   87058.2967  0.0061 -7.0288 3 1148.9505159  58516 303791862      801763        C-13-H3C-13-H2C-13-N
   87058.2968  0.0061 -7.0288 3 1148.9505159  58516 303791861      801764        C-13-H3C-13-H2C-13-N
   87069.8805  0.0037 -6.6071 3  103.0010 51  58516 30325 422      26 125        C-13-H3C-13-H2C-13-N
   87075.1044  0.0046 -6.7219 3  323.3871 91  58516 30345 640      46 343        C-13-H3C-13-H2C-13-N
   87109.6855  0.0043 -7.3029 3  387.8265 99  58516 30349 743      50 546        C-13-H3C-13-H2C-13-N
   87157.7472  0.0019 -5.9487 3   17.1043 15  58516 303 7 4 4       8 3 5        C-13-H3C-13-H2C-13-N
   87170.2192  0.0180 -7.2880 3  635.0452131  58516 30365 461      66 364        C-13-H3C-13-H2C-13-N
   87191.8175  0.0019 -5.9484 3   17.1031 15  58516 303 7 4 3       8 3 6        C-13-H3C-13-H2C-13-N
   87205.0760  0.0049 -4.9594 3   53.6572 39  58516 30319 118      19 019        C-13-H3C-13-H2C-13-N
   87331.6030  0.0022 -5.7860 3  443.7297 97  58516 303481237      491138        C-13-H3C-13-H2C-13-N
   87331.6066  0.0022 -5.7860 3  443.7297 97  58516 303481236      491139        C-13-H3C-13-H2C-13-N
   87340.4377  0.0038 -6.5907 3  197.9798 71  58516 30335 531      36 234        C-13-H3C-13-H2C-13-N
   87400.7936  0.0041 -4.7066 3   95.5521 51  58516 30325 223      25 124        C-13-H3C-13-H2C-13-N
   87421.1191  0.0009 -3.7803 3   16.0301 21  58516 30310 2 8       9 2 7        C-13-H3C-13-H2C-13-N
   87557.8445  0.0038 -6.5103 3  904.9730149  58516 303741263      731360        C-13-H3C-13-H2C-13-N
   87559.1620  0.0038 -6.5103 3  904.9730149  58516 303741262      731361        C-13-H3C-13-H2C-13-N
   87874.6114  0.0022 -5.1164 3   33.1926 31  58516 30315 114      14 213        C-13-H3C-13-H2C-13-N
   87940.8688  0.0058 -6.9505 3  479.0897111  58516 30355 749      56 452        C-13-H3C-13-H2C-13-N
   88013.5975  0.0048 -5.5798 3  188.3359 71  58516 30335 332      35 333        C-13-H3C-13-H2C-13-N
   88068.2475  0.0031 -5.2235 3   61.6128 41  58516 30320 218      19 317        C-13-H3C-13-H2C-13-N
   88342.5201  0.0017 -4.6050 3  130.7764 59  58516 30329 326      29 227        C-13-H3C-13-H2C-13-N
   88367.8189  0.0014 -4.6541 3   77.2421 45  58516 30322 319      22 220        C-13-H3C-13-H2C-13-N
   88380.5195  0.0023 -5.6374 3   38.2038 25  58516 30312 5 8      13 4 9        C-13-H3C-13-H2C-13-N
   88395.1670  0.0023 -5.6372 3   38.2034 25  58516 30312 5 7      13 410        C-13-H3C-13-H2C-13-N
   88399.2951  0.0033 -5.3853 3  138.0045 61  58516 30330 328      29 425        C-13-H3C-13-H2C-13-N
   88418.9094  0.0039 -7.1409 3  261.0158 81  58516 30340 635      41 438        C-13-H3C-13-H2C-13-N
   88432.6017  0.0022 -5.5780 3  373.5876 97  58516 30348 742      47 839        C-13-H3C-13-H2C-13-N
   88475.4612  0.0009 -3.7527 3   14.0566 21  58516 30310 1 9       9 1 8        C-13-H3C-13-H2C-13-N
   88514.2760  0.0035 -6.9332 3   34.0871 29  58516 30314 312      15 015        C-13-H3C-13-H2C-13-N
   88536.8689  0.0024 -5.9205 3  535.8208107  58516 303531341      541242        C-13-H3C-13-H2C-13-N
   88536.8697  0.0024 -5.9205 3  535.8208107  58516 303531340      541243        C-13-H3C-13-H2C-13-N
   88644.5659  0.0057 -6.7038 3  263.1120 85  58516 30342 240      41 437        C-13-H3C-13-H2C-13-N
   88677.2630  0.0041 -5.6822 3  298.2154 89  58516 30344 440      44 441        C-13-H3C-13-H2C-13-N
   88759.4308  0.0080 -7.2872 3 1294.2375169  58516 303841965      851868        C-13-H3C-13-H2C-13-N
   88759.4308  0.0080 -7.2872 3 1294.2375169  58516 303841966      851867        C-13-H3C-13-H2C-13-N
   88778.7436  0.0110 -6.8844 3  175.3394 69  58516 30334 332      35 035        C-13-H3C-13-H2C-13-N
   88855.7369  0.0109 -6.8735 3  348.7562 97  58516 30348 445      49 148        C-13-H3C-13-H2C-13-N
   88988.4744  0.0042 -7.2483 3  332.7437 91  58516 30345 738      46 541        C-13-H3C-13-H2C-13-N
   88996.0301  0.0084 -7.3281 3 1344.4888181  58516 303901576      891673        C-13-H3C-13-H2C-13-N
   88996.0537  0.0084 -7.3281 3 1344.4888181  58516 303901575      891674        C-13-H3C-13-H2C-13-N
   89155.5557  0.0022 -5.5708 3  373.5866 97  58516 30348 741      47 840        C-13-H3C-13-H2C-13-N
   89171.0825  0.0089 -6.6191 3  535.6310121  58516 30360 457      59 554        C-13-H3C-13-H2C-13-N
   89207.8050  0.0021 -5.0158 3   26.1983 27  58516 30313 212      13 113        C-13-H3C-13-H2C-13-N
   89365.0225  0.0147 -6.9990 3  216.6281 77  58516 30338 236      39 139        C-13-H3C-13-H2C-13-N
   89520.8619  0.0025 -5.4957 3   68.0142 35  58516 30317 612      18 513        C-13-H3C-13-H2C-13-N
   89525.9296  0.0025 -5.4957 3   68.0140 35  58516 30317 611      18 514        C-13-H3C-13-H2C-13-N
   89569.0231  0.0011 -7.3629 3    2.8801  9  58516 303 4 2 3       4 0 4        C-13-H3C-13-H2C-13-N
   89593.8773  0.0219 -7.2062 3  836.5670151  58516 30375 571      74 668        C-13-H3C-13-H2C-13-N
   89651.2172  0.0037 -7.0775 3  159.0669 63  58516 30331 527      32 330        C-13-H3C-13-H2C-13-N
   89699.6609  0.0038 -7.1612 3   82.0647 45  58516 30322 419      23 222        C-13-H3C-13-H2C-13-N
   89703.0021  0.0011 -7.0876 3    4.3170 11  58516 303 5 2 4       5 0 5        C-13-H3C-13-H2C-13-N
   89729.4401  0.0021 -5.4541 3  297.4931 87  58516 30343 638      42 735        C-13-H3C-13-H2C-13-N
   89763.6581  0.0042 -6.8441 3  367.4308 99  58516 30349 445      48 642        C-13-H3C-13-H2C-13-N
   89774.9311  0.0021 -5.3688 3  230.0832 77  58516 30338 534      37 631        C-13-H3C-13-H2C-13-N
   89777.4159  0.0031 -6.2663 3  784.1984139  58516 303691159      681256        C-13-H3C-13-H2C-13-N
   89782.6950  0.0031 -6.2663 3  784.1984139  58516 303691158      681257        C-13-H3C-13-H2C-13-N
   89799.0026  0.0026 -6.0769 3  636.5708117  58516 303581445      591346        C-13-H3C-13-H2C-13-N
   89799.0028  0.0026 -6.0769 3  636.5708117  58516 303581444      591347        C-13-H3C-13-H2C-13-N
   89830.0280  0.0045 -6.4809 3  205.6644 75  58516 30337 235      36 432        C-13-H3C-13-H2C-13-N
   89930.7953  0.0011 -6.8650 3    6.0386 13  58516 303 6 2 5       6 0 6        C-13-H3C-13-H2C-13-N
   90020.2786  0.0015 -4.6584 3   70.7493 43  58516 30321 318      21 219        C-13-H3C-13-H2C-13-N
   90179.6716  0.0326 -7.0077 3 1080.5094169  58516 30384 876      84 877        C-13-H3C-13-H2C-13-N
   90210.3701  0.0057 -5.5663 3  111.0468 55  58516 30327 225      27 226        C-13-H3C-13-H2C-13-N
   90287.1945  0.0011 -6.6787 3    8.0435 15  58516 303 7 2 6       7 0 7        C-13-H3C-13-H2C-13-N
   90459.4439  0.0150 -7.1673 3  598.3667127  58516 30363 559      64 262        C-13-H3C-13-H2C-13-N
   90531.2160  0.0020 -4.5921 3  139.5559 61  58516 30330 327      30 228        C-13-H3C-13-H2C-13-N
   90561.7259  0.0011 -4.9438 3   10.3300 19  58516 303 9 1 9       8 0 8        C-13-H3C-13-H2C-13-N
   90613.0443  0.0024 -5.4319 3  106.5329 45  58516 30322 716      23 617        C-13-H3C-13-H2C-13-N
   90614.6219  0.0024 -5.4319 3  106.5329 45  58516 30322 715      23 618        C-13-H3C-13-H2C-13-N
   90810.5121  0.0011 -6.5192 3   10.3300 17  58516 303 8 2 7       8 0 8        C-13-H3C-13-H2C-13-N
   90972.1519  0.0055 -6.6286 3  251.0193 83  58516 30341 239      40 436        C-13-H3C-13-H2C-13-N
   91103.3623  0.0011 -4.8212 3   19.2203 25  58516 30312 012      11 111        C-13-H3C-13-H2C-13-N
   91125.6145  0.0030 -6.2545 3  745.9689127  58516 303631548      641451        C-13-H3C-13-H2C-13-N
   91125.6145  0.0030 -6.2545 3  745.9689127  58516 303631549      641450        C-13-H3C-13-H2C-13-N
   91467.5769  0.0091 -7.2475 3  664.9339131  58516 30365 858      66 561        C-13-H3C-13-H2C-13-N
   91540.8461  0.0012 -6.3808 3   12.8965 19  58516 303 9 2 8       9 0 9        C-13-H3C-13-H2C-13-N
   91609.2822  0.0064 -7.0188 3 1196.5064171  58516 303851472      841569        C-13-H3C-13-H2C-13-N
   91609.3850  0.0064 -7.0188 3 1196.5064171  58516 303851471      841570        C-13-H3C-13-H2C-13-N
   91682.5651  0.0022 -5.4181 3  153.7563 55  58516 30327 820      28 721        C-13-H3C-13-H2C-13-N
   91683.0256  0.0022 -5.4181 3  153.7563 55  58516 30327 819      28 722        C-13-H3C-13-H2C-13-N
   91759.5544  0.0048 -6.4923 3  216.5482 77  58516 30338 236      37 433        C-13-H3C-13-H2C-13-N
   91772.1475  0.0032 -5.2298 3  105.9053 53  58516 30326 323      25 422        C-13-H3C-13-H2C-13-N
   91838.1697  0.0061 -5.9976 3  275.5032 87  58516 30343 341      42 438        C-13-H3C-13-H2C-13-N
   91902.5099  0.0016 -4.6633 3   64.5504 41  58516 30320 317      20 218        C-13-H3C-13-H2C-13-N
   91914.9493  0.0026 -6.0438 3  672.0488129  58516 303641055      631152        C-13-H3C-13-H2C-13-N
   91935.4474  0.0026 -6.0436 3  672.0488129  58516 303641054      631153        C-13-H3C-13-H2C-13-N
   92089.7787  0.0021 -5.4307 3  297.4891 87  58516 30343 637      42 736        C-13-H3C-13-H2C-13-N
   92141.6988  0.0009 -3.6797 3   16.1467 23  58516 30311 111      10 110        C-13-H3C-13-H2C-13-N
   92204.4931  0.0055 -5.7133 3   59.3020 41  58516 30320 119      20 120        C-13-H3C-13-H2C-13-N
   92298.6059  0.0053 -6.5675 3  239.2268 81  58516 30340 238      39 435        C-13-H3C-13-H2C-13-N
   92323.6013  0.0009 -5.4434 3    1.6348  7  58516 303 3 2 2       2 1 1        C-13-H3C-13-H2C-13-N
   92398.4691  0.0117 -6.8815 3  185.2539 71  58516 30335 333      36 036        C-13-H3C-13-H2C-13-N
   92517.8954  0.0012 -6.2595 3   15.7413 21  58516 30310 2 9      10 010        C-13-H3C-13-H2C-13-N
   92523.7183  0.0037 -6.4526 3  864.0035137  58516 303681652      691555        C-13-H3C-13-H2C-13-N
   92523.7183  0.0037 -6.4526 3  864.0035137  58516 303681653      691554        C-13-H3C-13-H2C-13-N
   92571.5450  0.0036 -7.2518 3   53.0396 35  58516 30317 413      18 216        C-13-H3C-13-H2C-13-N
   92574.0012  0.0051 -6.5217 3  227.7360 79  58516 30339 237      38 434        C-13-H3C-13-H2C-13-N
   92657.7377  0.0023 -4.9731 3   30.1019 29  58516 30314 213      14 114        C-13-H3C-13-H2C-13-N
   92748.2812  0.0021 -5.4419 3  209.6794 65  58516 30332 924      33 825        C-13-H3C-13-H2C-13-N
   92748.4097  0.0021 -5.4419 3  209.6794 65  58516 30332 923      33 826        C-13-H3C-13-H2C-13-N
   92962.3386  0.0117 -6.8728 3  362.6877 99  58516 30349 446      50 149        C-13-H3C-13-H2C-13-N
   93196.4199  0.0146 -6.9840 3  406.1079105  58516 30352 349      53 252        C-13-H3C-13-H2C-13-N
   93238.5064  0.0036 -5.3657 3  146.7595 63  58516 30331 329      30 426        C-13-H3C-13-H2C-13-N
   93324.8873  0.0035 -6.5997 3   95.5521 49  58516 30324 421      25 124        C-13-H3C-13-H2C-13-N
   93354.2816  0.0024 -4.5776 3  148.6121 63  58516 30331 328      31 229        C-13-H3C-13-H2C-13-N
   93480.7424  0.0044 -4.6696 3  103.0010 53  58516 30326 224      26 125        C-13-H3C-13-H2C-13-N
   93534.1649  0.0026 -5.2585 3  162.0573 65  58516 30332 428      31 527        C-13-H3C-13-H2C-13-N
   93557.1489  0.0033 -6.9808 3   29.8723 27  58516 30313 311      14 014        C-13-H3C-13-H2C-13-N
   93576.5975  0.0009 -3.6628 3   15.7413 23  58516 30311 011      10 010        C-13-H3C-13-H2C-13-N
   93776.6923  0.0009 -5.4438 3    1.5876  7  58516 303 3 2 1       2 1 2        C-13-H3C-13-H2C-13-N
   93778.5144  0.0013 -6.1524 3   18.8627 23  58516 30311 210      11 011        C-13-H3C-13-H2C-13-N
   93809.9757  0.0192 -7.2723 3  653.7871133  58516 30366 462      67 365        C-13-H3C-13-H2C-13-N
   93825.0227  0.0020 -5.4972 3  274.2964 75  58516 303371028      38 929        C-13-H3C-13-H2C-13-N
   93825.0573  0.0020 -5.4972 3  274.2964 75  58516 303371027      38 930        C-13-H3C-13-H2C-13-N
   93942.8216  0.0017 -4.6690 3   58.6468 39  58516 30319 316      19 217        C-13-H3C-13-H2C-13-N
   93979.5955  0.0023 -5.8430 3  568.5368119  58516 30359 951      581048        C-13-H3C-13-H2C-13-N
   93999.7798  0.0046 -6.6706 3  990.6621147  58516 303731756      741659        C-13-H3C-13-H2C-13-N
   93999.7798  0.0046 -6.6706 3  990.6621147  58516 303731757      741658        C-13-H3C-13-H2C-13-N
   94056.4513  0.0023 -5.8423 3  568.5367119  58516 30359 950      581049        C-13-H3C-13-H2C-13-N
   94108.4860  0.0050 -6.7305 3 1057.1036161  58516 303801368      791465        C-13-H3C-13-H2C-13-N
   94108.9203  0.0050 -6.7305 3 1057.1036161  58516 303801367      791466        C-13-H3C-13-H2C-13-N
   94132.2096  0.0083 -7.2282 3  518.2660119  58516 30359 356      58 553        C-13-H3C-13-H2C-13-N
   94374.8907  0.0047 -5.8564 3  448.5282109  58516 30354 549      54 550        C-13-H3C-13-H2C-13-N
   94456.6878  0.0052 -4.9079 3   59.2269 41  58516 30320 119      20 020        C-13-H3C-13-H2C-13-N
   94656.2339  0.0023 -5.2854 3  180.9533 69  58516 30334 431      33 528        C-13-H3C-13-H2C-13-N
   94673.2577  0.0042 -7.0848 3  116.9174 53  58516 30326 521      27 324        C-13-H3C-13-H2C-13-N
   94837.2165  0.0009 -3.6713 3   18.8273 23  58516 30311 210      10 2 9        C-13-H3C-13-H2C-13-N
   94925.1419  0.0020 -5.5800 3  347.6004 85  58516 303421132      431033        C-13-H3C-13-H2C-13-N
   94925.1510  0.0020 -5.5800 3  347.6004 85  58516 303421131      431034        C-13-H3C-13-H2C-13-N
   95023.6784  0.0163 -6.5244 3  839.8277149  58516 30374 767      74 768        C-13-H3C-13-H2C-13-N
   95077.6726  0.0161 -7.1702 3  616.5702129  58516 30364 560      65 263        C-13-H3C-13-H2C-13-N
   95184.2616  0.0009 -3.8565 3   42.7071 23  58516 30311 6 6      10 6 5        C-13-H3C-13-H2C-13-N
   95184.2617  0.0009 -3.8565 3   42.7071 23  58516 30311 6 5      10 6 4        C-13-H3C-13-H2C-13-N
   95184.5077  0.0009 -3.9487 3   52.3875 23  58516 30311 7 4      10 7 3        C-13-H3C-13-H2C-13-N
   95184.5077  0.0009 -3.9487 3   52.3875 23  58516 30311 7 5      10 7 4        C-13-H3C-13-H2C-13-N
   95191.3407  0.0009 -4.0734 3   63.5504 23  58516 30311 8 3      10 8 2        C-13-H3C-13-H2C-13-N
   95191.3407  0.0009 -4.0734 3   63.5504 23  58516 30311 8 4      10 8 3        C-13-H3C-13-H2C-13-N
   95194.8725  0.0009 -3.7865 3   34.5121 23  58516 30311 5 7      10 5 6        C-13-H3C-13-H2C-13-N
   95194.8948  0.0009 -3.7864 3   34.5121 23  58516 30311 5 6      10 5 5        C-13-H3C-13-H2C-13-N
   95202.7843  0.0009 -4.2534 3   76.1924 23  58516 30311 9 2      10 9 1        C-13-H3C-13-H2C-13-N
   95202.7843  0.0009 -4.2534 3   76.1924 23  58516 30311 9 3      10 9 2        C-13-H3C-13-H2C-13-N
   95205.1853  0.0037 -7.1422 3   75.5131 43  58516 30321 418      22 221        C-13-H3C-13-H2C-13-N
   95217.8175  0.0009 -4.5625 3   90.3100 23  58516 3031110 1      1010 0        C-13-H3C-13-H2C-13-N
   95217.8175  0.0009 -4.5625 3   90.3100 23  58516 3031110 2      1010 1        C-13-H3C-13-H2C-13-N
   95226.2564  0.0009 -3.7333 3   27.8058 23  58516 30311 4 8      10 4 7        C-13-H3C-13-H2C-13-N
   95228.3180  0.0009 -3.7333 3   27.8059 23  58516 30311 4 7      10 4 6        C-13-H3C-13-H2C-13-N
   95271.2349  0.0009 -3.6940 3   22.5906 23  58516 30311 3 9      10 3 8        C-13-H3C-13-H2C-13-N
   95352.9697  0.0037 -6.5540 3  187.5665 69  58516 30334 530      35 233        C-13-H3C-13-H2C-13-N
   95354.3205  0.0014 -6.0574 3   22.2591 25  58516 30312 211      12 012        C-13-H3C-13-H2C-13-N
   95364.6880  0.0009 -3.6932 3   22.5948 23  58516 30311 3 8      10 3 7        C-13-H3C-13-H2C-13-N
   95365.2149  0.0042 -7.2196 3  373.3564 97  58516 30348 742      49 545        C-13-H3C-13-H2C-13-N
   95474.9257  0.0034 -6.5340 3  268.3085 85  58516 30342 339      41 536        C-13-H3C-13-H2C-13-N
   95559.7417  0.0059 -6.9083 3 1125.9313157  58516 303781860      791763        C-13-H3C-13-H2C-13-N
   95559.7417  0.0059 -6.9083 3 1125.9313157  58516 303781861      791762        C-13-H3C-13-H2C-13-N
   95784.9832  0.0157 -6.9760 3  227.6289 79  58516 30339 237      40 140        C-13-H3C-13-H2C-13-N
   95838.7812  0.0038 -7.0757 3  249.1781 79  58516 30339 634      40 437        C-13-H3C-13-H2C-13-N
   95859.6458  0.0019 -6.0246 3   14.7939 13  58516 303 6 4 3       7 3 4        C-13-H3C-13-H2C-13-N
   95875.1366  0.0019 -6.0245 3   14.7933 13  58516 303 6 4 2       7 3 5        C-13-H3C-13-H2C-13-N
   95957.5992  0.0023 -5.6646 3  473.6740109  58516 30354 847      53 944        C-13-H3C-13-H2C-13-N
   96059.3560  0.0022 -5.6879 3  429.5838 95  58516 303471236      481137        C-13-H3C-13-H2C-13-N
   96059.3583  0.0022 -5.6879 3  429.5838 95  58516 303471235      481138        C-13-H3C-13-H2C-13-N
   96069.1874  0.0017 -4.6759 3   53.0396 37  58516 30318 315      18 216        C-13-H3C-13-H2C-13-N
   96154.3154  0.0036 -7.0330 3  149.8696 61  58516 30330 526      31 329        C-13-H3C-13-H2C-13-N
   96202.6376  0.0124 -6.8791 3  195.4400 73  58516 30336 334      37 037        C-13-H3C-13-H2C-13-N
   96234.3360  0.0023 -5.6621 3  473.6736109  58516 30354 846      53 945        C-13-H3C-13-H2C-13-N
   96345.5110  0.0010 -3.6578 3   18.9462 23  58516 30311 2 9      10 2 8        C-13-H3C-13-H2C-13-N
   96350.1740  0.0060 -5.8913 3  263.1120 85  58516 30342 340      41 437        C-13-H3C-13-H2C-13-N
   96352.8590  0.0026 -4.9326 3   34.2813 31  58516 30315 214      15 115        C-13-H3C-13-H2C-13-N
   96475.4747  0.0068 -6.1396 3  629.1135129  58516 30364 658      64 659        C-13-H3C-13-H2C-13-N
   96503.6808  0.0040 -6.4633 3  926.2955151  58516 303751264      741361        C-13-H3C-13-H2C-13-N
   96505.4657  0.0040 -6.4633 3  926.2955151  58516 303751263      741362        C-13-H3C-13-H2C-13-N
   96822.9639  0.0027 -4.5615 3  157.9430 65  58516 30332 329      32 230        C-13-H3C-13-H2C-13-N
   96854.5883  0.0021 -5.2989 3  230.0695 77  58516 30338 533      37 632        C-13-H3C-13-H2C-13-N
   96903.3908  0.0046 -6.6588 3  310.0108 89  58516 30344 639      45 342        C-13-H3C-13-H2C-13-N
   96999.5272  0.0048 -5.5306 3  198.6489 73  58516 30336 333      36 334        C-13-H3C-13-H2C-13-N
   97109.9472  0.0023 -5.6215 3   34.4483 23  58516 30311 5 7      12 4 8        C-13-H3C-13-H2C-13-N
   97117.7099  0.0023 -5.6214 3   34.4480 23  58516 30311 5 6      12 4 9        C-13-H3C-13-H2C-13-N
   97209.0360  0.0076 -7.1652 3 1269.7969167  58516 303831964      841867        C-13-H3C-13-H2C-13-N
   97209.0360  0.0076 -7.1652 3 1269.7969167  58516 303831965      841866        C-13-H3C-13-H2C-13-N
   97211.8371  0.0125 -6.8732 3  376.8899101  58516 30350 447      51 150        C-13-H3C-13-H2C-13-N
   97232.6249  0.0009 -3.6351 3   17.0078 23  58516 30311 110      10 1 9        C-13-H3C-13-H2C-13-N
   97237.2147  0.0024 -5.8194 3  520.2378105  58516 303521340      531241        C-13-H3C-13-H2C-13-N
   97237.2153  0.0024 -5.8194 3  520.2378105  58516 303521339      531242        C-13-H3C-13-H2C-13-N
   97269.7216  0.0016 -5.9728 3   25.9294 27  58516 30313 212      13 013        C-13-H3C-13-H2C-13-N
   97435.3773  0.0039 -5.3587 3  155.8168 65  58516 30332 330      31 427        C-13-H3C-13-H2C-13-N
   97439.1063  0.0012 -4.8307 3   12.8965 21  58516 30310 110       9 0 9        C-13-H3C-13-H2C-13-N
   97711.8707  0.0088 -7.2951 3 1370.3511183  58516 303911577      901674        C-13-H3C-13-H2C-13-N
   97711.9029  0.0088 -7.2951 3 1370.3511183  58516 303911576      901675        C-13-H3C-13-H2C-13-N
   97749.0024  0.0022 -5.5102 3  387.4716 99  58516 30349 743      48 840        C-13-H3C-13-H2C-13-N
   97996.3185  0.0085 -6.4722 3  518.2660119  58516 30359 456      58 553        C-13-H3C-13-H2C-13-N
   98123.0608  0.0039 -7.0615 3  205.6644 71  58516 30335 629      36 432        C-13-H3C-13-H2C-13-N
   98134.8319  0.0042 -5.6370 3  311.1748 91  58516 30345 441      45 442        C-13-H3C-13-H2C-13-N
   98211.8064  0.0017 -4.6845 3   47.7302 35  58516 30317 314      17 215        C-13-H3C-13-H2C-13-N
   98239.2531  0.0055 -7.0608 3  514.9891117  58516 30358 553      57 750        C-13-H3C-13-H2C-13-N
   98271.3646  0.0025 -5.4510 3   62.8132 33  58516 30316 611      17 512        C-13-H3C-13-H2C-13-N
   98274.2347  0.0025 -5.4510 3   62.8131 33  58516 30316 610      17 513        C-13-H3C-13-H2C-13-N
   98467.3717  0.0025 -5.9730 3  619.5526115  58516 303571444      581345        C-13-H3C-13-H2C-13-N
   98467.3719  0.0025 -5.9730 3  619.5526115  58516 303571443      581346        C-13-H3C-13-H2C-13-N
   98697.6356  0.0022 -5.5016 3  387.4702 99  58516 30349 742      48 841        C-13-H3C-13-H2C-13-N
   98702.2655  0.0021 -5.2992 3  241.0950 79  58516 30339 535      38 632        C-13-H3C-13-H2C-13-N
   98703.5651  0.0057 -5.5144 3  118.9833 57  58516 30328 226      28 227        C-13-H3C-13-H2C-13-N
   98807.2395  0.0032 -6.2172 3  804.0962141  58516 303701160      691257        C-13-H3C-13-H2C-13-N
   98814.3583  0.0032 -6.2172 3  804.0962141  58516 303701159      691258        C-13-H3C-13-H2C-13-N
   98995.1115  0.0022 -5.3844 3  309.9410 89  58516 30344 639      43 736        C-13-H3C-13-H2C-13-N
   99130.3666  0.0030 -7.0460 3   25.9294 25  58516 30312 310      13 013        C-13-H3C-13-H2C-13-N
   99374.7772  0.0023 -4.9650 3   37.4953 33  58516 30316 115      15 214        C-13-H3C-13-H2C-13-N
   99376.3685  0.0025 -5.3724 3   99.8868 43  58516 30321 715      22 616        C-13-H3C-13-H2C-13-N
   99377.2961  0.0025 -5.3724 3   99.8868 43  58516 30321 714      22 617        C-13-H3C-13-H2C-13-N
   99540.6713  0.0018 -5.8971 3   29.8723 29  58516 30314 213      14 014        C-13-H3C-13-H2C-13-N
   99660.2916  0.0058 -6.8633 3  462.7550109  58516 30354 748      55 451        C-13-H3C-13-H2C-13-N
   99696.8742  0.0154 -6.9676 3  421.1218107  58516 30353 350      54 253        C-13-H3C-13-H2C-13-N
   99757.7472  0.0029 -6.1481 3  727.5178125  58516 303621547      631450        C-13-H3C-13-H2C-13-N
   99757.7472  0.0029 -6.1481 3  727.5178125  58516 303621548      631449        C-13-H3C-13-H2C-13-N
   99783.6571  0.0173 -7.1750 3  635.0431131  58516 30365 561      66 264        C-13-H3C-13-H2C-13-N
  100032.4523  0.0046 -4.6335 3  110.7192 55  58516 30327 225      27 126        C-13-H3C-13-H2C-13-N
  100048.1852  0.0056 -5.6589 3   65.1285 43  58516 30321 120      21 121        C-13-H3C-13-H2C-13-N
  100121.4504  0.0059 -5.7940 3  251.0193 83  58516 30341 339      40 436        C-13-H3C-13-H2C-13-N
  100171.7362  0.0133 -6.8774 3  205.8978 75  58516 30337 335      38 038        C-13-H3C-13-H2C-13-N
  100174.7872  0.0201 -7.0439 3  814.8830149  58516 30374 570      73 667        C-13-H3C-13-H2C-13-N
  100202.5328  0.0034 -6.6010 3   88.3732 47  58516 30323 420      24 123        C-13-H3C-13-H2C-13-N
  100261.0955  0.0009 -5.3216 3    2.5235  9  58516 303 4 2 3       3 1 2        C-13-H3C-13-H2C-13-N
  100264.2199  0.0205 -7.2630 3  672.7985135  58516 30367 463      68 366        C-13-H3C-13-H2C-13-N
  100287.6837  0.0028 -4.8943 3   38.7361 33  58516 30316 215      16 116        C-13-H3C-13-H2C-13-N
  100305.7327  0.0017 -4.6951 3   42.7193 33  58516 30316 313      16 214        C-13-H3C-13-H2C-13-N
  100405.8760  0.0067 -6.9840 3 1220.9540173  58516 303861473      851570        C-13-H3C-13-H2C-13-N
  100406.0154  0.0067 -6.9840 3 1220.9540173  58516 303861472      851571        C-13-H3C-13-H2C-13-N
  100450.5588  0.0023 -5.3490 3  145.6656 53  58516 30326 819      27 720        C-13-H3C-13-H2C-13-N
  100450.5775  0.0010 -3.5731 3   19.2203 25  58516 30312 112      11 111        C-13-H3C-13-H2C-13-N
  100450.8363  0.0023 -5.3490 3  145.6656 53  58516 30326 818      27 721        C-13-H3C-13-H2C-13-N
  100500.6825  0.0358 -6.9815 3 1105.0637171  58516 30385 877      85 878        C-13-H3C-13-H2C-13-N
  100594.8978  0.0033 -5.0827 3   67.3938 43  58516 30321 219      20 318        C-13-H3C-13-H2C-13-N
  100683.8147  0.0012 -4.6903 3   22.5709 27  58516 30313 013      12 112        C-13-H3C-13-H2C-13-N
  100937.0825  0.0042 -5.3637 3  165.1773 67  58516 30333 331      32 428        C-13-H3C-13-H2C-13-N
  100940.0238  0.0029 -4.5442 3  167.5468 67  58516 30333 330      33 231        C-13-H3C-13-H2C-13-N
  101032.8142  0.0027 -5.9924 3  690.5193131  58516 303651056      641153        C-13-H3C-13-H2C-13-N
  101060.2967  0.0026 -5.9922 3  690.5192131  58516 303651055      641154        C-13-H3C-13-H2C-13-N
  101068.6432  0.0036 -7.1289 3   69.2402 41  58516 30320 417      21 220        C-13-H3C-13-H2C-13-N
  101115.6255  0.0036 -6.3439 3  844.1219135  58516 303671652      681553        C-13-H3C-13-H2C-13-N
  101115.6256  0.0036 -6.3439 3  844.1219135  58516 303671651      681554        C-13-H3C-13-H2C-13-N
  101513.5048  0.0021 -5.3660 3  200.1450 63  58516 30331 923      32 824        C-13-H3C-13-H2C-13-N
  101513.5836  0.0021 -5.3660 3  200.1450 63  58516 30331 922      32 825        C-13-H3C-13-H2C-13-N
  101586.4960  0.0133 -6.8747 3  391.3629103  58516 30351 448      52 151        C-13-H3C-13-H2C-13-N
  101788.0956  0.0079 -7.0954 3  501.1854117  58516 30358 355      57 552        C-13-H3C-13-H2C-13-N
  101823.5747  0.0010 -3.5586 3   18.8627 25  58516 30312 012      11 011        C-13-H3C-13-H2C-13-N
  101878.9143  0.0053 -4.8598 3   65.0674 43  58516 30321 120      21 021        C-13-H3C-13-H2C-13-N
  102045.5177  0.0022 -5.3569 3  309.9356 89  58516 30344 638      43 737        C-13-H3C-13-H2C-13-N
  102056.5446  0.0167 -6.9580 3  238.9013 81  58516 30340 238      41 141        C-13-H3C-13-H2C-13-N
  102174.3047  0.0021 -5.8293 3   34.0871 31  58516 30315 214      15 015        C-13-H3C-13-H2C-13-N
  102293.4088  0.0016 -4.7083 3   38.0077 31  58516 30315 312      15 213        C-13-H3C-13-H2C-13-N
  102361.8275  0.0024 -5.2319 3  190.8276 71  58516 30335 432      34 529        C-13-H3C-13-H2C-13-N
  102547.7149  0.0045 -6.5598 3  969.3527145  58516 303721755      731658        C-13-H3C-13-H2C-13-N
  102547.7149  0.0045 -6.5598 3  969.3527145  58516 303721756      731657        C-13-H3C-13-H2C-13-N
  102580.8011  0.0020 -5.4158 3  263.3196 73  58516 303361027      37 928        C-13-H3C-13-H2C-13-N
  102580.8226  0.0020 -5.4158 3  263.3195 73  58516 303361026      37 929        C-13-H3C-13-H2C-13-N
  102638.9976  0.0042 -6.7141 3  381.7027101  58516 30350 446      49 643        C-13-H3C-13-H2C-13-N
  102976.1822  0.0035 -6.9934 3  140.9531 59  58516 30329 525      30 328        C-13-H3C-13-H2C-13-N
  102987.2321  0.0053 -6.6938 3 1080.1334163  58516 303811369      801466        C-13-H3C-13-H2C-13-N
  102987.8199  0.0053 -6.6938 3 1080.1334163  58516 303811368      801467        C-13-H3C-13-H2C-13-N
  103002.6787  0.0041 -7.1300 3  319.2448 89  58516 30344 737      45 540        C-13-H3C-13-H2C-13-N
  103114.4539  0.0058 -5.7058 3  239.2268 81  58516 30340 338      39 435        C-13-H3C-13-H2C-13-N
  103188.8009  0.0024 -5.7891 3  585.5774121  58516 30360 952      591049        C-13-H3C-13-H2C-13-N
  103204.3264  0.0009 -5.3248 3    2.4290  9  58516 303 4 2 2       3 1 3        C-13-H3C-13-H2C-13-N
  103291.0995  0.0024 -5.7882 3  585.5772121  58516 30360 951      591050        C-13-H3C-13-H2C-13-N
  103399.3808  0.0010 -3.5630 3   21.9908 25  58516 30312 211      11 210        C-13-H3C-13-H2C-13-N
  103535.7137  0.0037 -7.0159 3  237.6228 77  58516 30338 633      39 436        C-13-H3C-13-H2C-13-N
  103665.4612  0.0020 -5.4942 3  335.1825 83  58516 303411131      421032        C-13-H3C-13-H2C-13-N
  103665.4669  0.0020 -5.4942 3  335.1825 83  58516 303411130      421033        C-13-H3C-13-H2C-13-N
  103696.2963  0.0045 -5.3805 3  174.8418 69  58516 30334 332      33 429        C-13-H3C-13-H2C-13-N
  103841.6279  0.0010 -3.7974 3   55.5625 25  58516 30312 7 5      11 7 4        C-13-H3C-13-H2C-13-N
  103841.6279  0.0010 -3.7974 3   55.5625 25  58516 30312 7 6      11 7 5        C-13-H3C-13-H2C-13-N
  103844.0099  0.0010 -3.7215 3   45.8821 25  58516 30312 6 7      11 6 6        C-13-H3C-13-H2C-13-N
  103844.0103  0.0010 -3.7215 3   45.8821 25  58516 30312 6 6      11 6 5        C-13-H3C-13-H2C-13-N
  103847.3836  0.0010 -3.8952 3   66.7256 25  58516 30312 8 4      11 8 3        C-13-H3C-13-H2C-13-N
  103847.3836  0.0010 -3.8952 3   66.7256 25  58516 30312 8 5      11 8 4        C-13-H3C-13-H2C-13-N
  103852.7365  0.0041 -7.1427 3  359.1701 95  58516 30347 741      48 544        C-13-H3C-13-H2C-13-N
  103858.7121  0.0010 -4.0252 3   79.3680 25  58516 30312 9 3      11 9 2        C-13-H3C-13-H2C-13-N
  103858.7121  0.0010 -4.0252 3   79.3680 25  58516 30312 9 4      11 9 3        C-13-H3C-13-H2C-13-N
  103860.0665  0.0010 -3.6622 3   37.6875 25  58516 30312 5 8      11 5 7        C-13-H3C-13-H2C-13-N
  103860.1174  0.0010 -3.6622 3   37.6875 25  58516 30312 5 7      11 5 6        C-13-H3C-13-H2C-13-N
  103874.2894  0.0010 -4.2104 3   93.4861 25  58516 3031210 2      1110 1        C-13-H3C-13-H2C-13-N
  103874.2894  0.0010 -4.2104 3   93.4861 25  58516 3031210 3      1110 2        C-13-H3C-13-H2C-13-N
  103893.3717  0.0010 -4.5244 3  109.0759 25  58516 3031211 1      1111 0        C-13-H3C-13-H2C-13-N
  103893.3717  0.0010 -4.5244 3  109.0759 25  58516 3031211 2      1111 1        C-13-H3C-13-H2C-13-N
  103902.1572  0.0010 -3.6162 3   30.9822 25  58516 30312 4 9      11 4 8        C-13-H3C-13-H2C-13-N
  103906.0131  0.0010 -3.6162 3   30.9823 25  58516 30312 4 8      11 4 7        C-13-H3C-13-H2C-13-N
  103951.6120  0.0010 -3.5819 3   25.7686 25  58516 30312 310      11 3 9        C-13-H3C-13-H2C-13-N
  104047.3942  0.0037 -6.5250 3  177.4218 67  58516 30333 529      34 232        C-13-H3C-13-H2C-13-N
  104060.1805  0.0057 -6.7955 3 1103.1968155  58516 303771859      781762        C-13-H3C-13-H2C-13-N
  104060.1805  0.0057 -6.7955 3 1103.1968155  58516 303771860      781761        C-13-H3C-13-H2C-13-N
  104096.0613  0.0010 -3.5807 3   25.7759 25  58516 30312 3 9      11 3 8        C-13-H3C-13-H2C-13-N
  104126.9432  0.0015 -4.7245 3   33.5960 29  58516 30314 311      14 212        C-13-H3C-13-H2C-13-N
  104256.3762  0.0036 -6.4507 3  280.5846 87  58516 30343 340      42 537        C-13-H3C-13-H2C-13-N
  104287.2823  0.0142 -6.8763 3  216.6272 77  58516 30338 336      39 039        C-13-H3C-13-H2C-13-N
  104296.8099  0.0013 -4.7258 3   15.7413 23  58516 30311 111      10 010        C-13-H3C-13-H2C-13-N
  104347.3395  0.0036 -7.2363 3   47.7302 33  58516 30316 412      17 215        C-13-H3C-13-H2C-13-N
  104367.0946  0.0033 -5.1113 3  113.4361 55  58516 30327 324      26 423        C-13-H3C-13-H2C-13-N
  104429.6978  0.0049 -5.8176 3  464.4047111  58516 30355 550      55 551        C-13-H3C-13-H2C-13-N
  104455.2772  0.0030 -4.8580 3   43.4660 35  58516 30317 216      17 117        C-13-H3C-13-H2C-13-N
  104542.2032  0.0019 -6.1789 3   12.7728 11  58516 303 5 4 2       6 3 3        C-13-H3C-13-H2C-13-N
  104548.4005  0.0019 -6.1789 3   12.7726 11  58516 303 5 4 1       6 3 4        C-13-H3C-13-H2C-13-N
  104563.7019  0.0185 -7.1815 3  653.7855133  58516 30366 562      67 265        C-13-H3C-13-H2C-13-N
  104778.7445  0.0022 -5.5983 3  415.7264 93  58516 303461235      471136        C-13-H3C-13-H2C-13-N
  104778.7459  0.0022 -5.5983 3  415.7264 93  58516 303461234      471137        C-13-H3C-13-H2C-13-N
  105146.3164  0.0088 -7.1401 3  645.6493129  58516 30364 857      65 560        C-13-H3C-13-H2C-13-N
  105169.4065  0.0023 -5.7682 3   38.5733 33  58516 30316 215      16 016        C-13-H3C-13-H2C-13-N
  105209.7845  0.0029 -7.1322 3   22.2591 23  58516 30311 3 9      12 012        C-13-H3C-13-H2C-13-N
  105253.0659  0.0023 -5.6081 3  489.2825111  58516 30355 848      54 945        C-13-H3C-13-H2C-13-N
  105299.1060  0.0057 -5.6267 3  227.7360 79  58516 30339 337      38 434        C-13-H3C-13-H2C-13-N
  105299.9956  0.0010 -3.5474 3   22.1599 25  58516 30312 210      11 2 9        C-13-H3C-13-H2C-13-N
  105308.5191  0.0027 -5.1602 3  171.3291 67  58516 30333 429      32 528        C-13-H3C-13-H2C-13-N
  105467.0053  0.0042 -6.4245 3  947.9044153  58516 303761265      751362        C-13-H3C-13-H2C-13-N
  105469.4118  0.0042 -6.4245 3  947.9044153  58516 303761264      751363        C-13-H3C-13-H2C-13-N
  105549.5139  0.0180 -6.4950 3  861.5047151  58516 30375 768      75 769        C-13-H3C-13-H2C-13-N
  105618.0432  0.0023 -5.6050 3  489.2820111  58516 30355 847      54 946        C-13-H3C-13-H2C-13-N
  105658.6615  0.0073 -7.0505 3 1245.6403165  58516 303821963      831866        C-13-H3C-13-H2C-13-N
  105658.6615  0.0073 -7.0505 3 1245.6403165  58516 303821964      831865        C-13-H3C-13-H2C-13-N
  105673.1415  0.0048 -5.4086 3  184.8111 71  58516 30335 333      34 430        C-13-H3C-13-H2C-13-N
  105698.6600  0.0032 -4.5260 3  177.4218 69  58516 30334 331      34 232        C-13-H3C-13-H2C-13-N
  105769.9503  0.0015 -4.7443 3   29.4842 27  58516 30313 310      13 211        C-13-H3C-13-H2C-13-N
  105821.0878  0.0023 -5.6263 3   30.9823 21  58516 30310 5 6      11 4 7        C-13-H3C-13-H2C-13-N
  105824.9723  0.0023 -5.6263 3   30.9822 21  58516 30310 5 5      11 4 8        C-13-H3C-13-H2C-13-N
  105930.6449  0.0023 -5.7263 3  504.9427103  58516 303511339      521240        C-13-H3C-13-H2C-13-N
  105930.6453  0.0023 -5.7263 3  504.9427103  58516 303511338      521241        C-13-H3C-13-H2C-13-N
  105960.3498  0.0010 -3.5292 3   20.2512 25  58516 30312 111      11 110        C-13-H3C-13-H2C-13-N
  106024.1194  0.0162 -6.9565 3  436.4063109  58516 30354 351      55 254        C-13-H3C-13-H2C-13-N
  106069.8752  0.0141 -6.8776 3  406.1065105  58516 30352 449      53 152        C-13-H3C-13-H2C-13-N
  106259.0254  0.0047 -5.4853 3  209.2391 75  58516 30337 334      37 335        C-13-H3C-13-H2C-13-N
  106414.4261  0.0082 -6.3346 3  501.1854117  58516 30358 455      57 552        C-13-H3C-13-H2C-13-N
  106436.3104  0.0092 -7.2696 3 1396.4968185  58516 303921578      911675        C-13-H3C-13-H2C-13-N
  106436.3540  0.0092 -7.2696 3 1396.4968185  58516 303921577      911676        C-13-H3C-13-H2C-13-N
  106548.3552  0.0219 -7.2589 3  692.0791137  58516 30368 464      69 367        C-13-H3C-13-H2C-13-N
  106653.8989  0.0055 -5.5571 3  216.5482 77  58516 30338 336      37 433        C-13-H3C-13-H2C-13-N
  106836.8484  0.0051 -5.4476 3  195.0853 73  58516 30336 334      35 431        C-13-H3C-13-H2C-13-N
  106899.5934  0.0074 -6.1061 3  647.8969131  58516 30365 659      65 660        C-13-H3C-13-H2C-13-N
  107004.8922  0.0025 -5.4191 3   57.9020 31  58516 30315 610      16 511        C-13-H3C-13-H2C-13-N
  107005.1561  0.0048 -4.5987 3  118.7064 57  58516 30328 226      28 127        C-13-H3C-13-H2C-13-N
  107006.4604  0.0025 -5.4191 3   57.9019 31  58516 30315 6 9      16 512        C-13-H3C-13-H2C-13-N
  107093.2111  0.0023 -5.4511 3  401.6463101  58516 30350 744      49 841        C-13-H3C-13-H2C-13-N
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  107130.1863  0.0025 -5.8769 3  602.8218113  58516 303561442      571345        C-13-H3C-13-H2C-13-N
  107166.9494  0.0053 -5.4973 3  205.6644 75  58516 30337 335      36 432        C-13-H3C-13-H2C-13-N
  107198.7443  0.0014 -4.7683 3   25.6724 25  58516 30312 3 9      12 210        C-13-H3C-13-H2C-13-N
  107268.4303  0.0035 -7.1221 3   63.2469 39  58516 30319 416      20 219        C-13-H3C-13-H2C-13-N
  107364.8603  0.0057 -5.4660 3  127.1950 59  58516 30329 227      29 228        C-13-H3C-13-H2C-13-N
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  107450.3985  0.0046 -6.6044 3  296.9019 87  58516 30343 638      44 341        C-13-H3C-13-H2C-13-N
  107540.3054  0.0022 -5.2391 3  252.4000 81  58516 30340 536      39 633        C-13-H3C-13-H2C-13-N
  107655.9739  0.0022 -5.2185 3  241.0764 79  58516 30339 534      38 633        C-13-H3C-13-H2C-13-N
  107679.1910  0.0033 -6.6120 3   81.4650 45  58516 30322 419      23 122        C-13-H3C-13-H2C-13-N
  107858.8438  0.0034 -6.1761 3  824.2813143  58516 303711161      701258        C-13-H3C-13-H2C-13-N
  107868.3954  0.0034 -6.1760 3  824.2813143  58516 303711160      701259        C-13-H3C-13-H2C-13-N
  107933.5324  0.0057 -5.6083 3   71.2284 45  58516 30322 121      22 122        C-13-H3C-13-H2C-13-N
  107944.3438  0.0043 -5.5959 3  324.4125 93  58516 30346 442      46 443        C-13-H3C-13-H2C-13-N
  107962.3947  0.0009 -5.2085 3    3.7080 11  58516 303 5 2 4       4 1 3        C-13-H3C-13-H2C-13-N
  108124.1690  0.0025 -5.3231 3   93.5304 41  58516 30320 714      21 615        C-13-H3C-13-H2C-13-N
  108124.7005  0.0025 -5.3231 3   93.5304 41  58516 30320 713      21 616        C-13-H3C-13-H2C-13-N
  108182.3072  0.0178 -6.9444 3  250.4452 83  58516 30341 239      42 142        C-13-H3C-13-H2C-13-N
  108257.2440  0.0022 -5.3236 3  322.6806 91  58516 30345 640      44 737        C-13-H3C-13-H2C-13-N
  108329.5275  0.0023 -5.4409 3  401.6443101  58516 30350 743      49 842        C-13-H3C-13-H2C-13-N
  108385.6043  0.0029 -6.0491 3  709.3536123  58516 303611546      621449        C-13-H3C-13-H2C-13-N
  108385.6043  0.0029 -6.0491 3  709.3536123  58516 303611547      621448        C-13-H3C-13-H2C-13-N
  108402.6787  0.0013 -4.7972 3   22.1599 23  58516 30311 3 8      11 2 9        C-13-H3C-13-H2C-13-N
  108517.5075  0.0026 -5.7130 3   43.3305 35  58516 30317 216      17 017        C-13-H3C-13-H2C-13-N
  108531.9104  0.0152 -6.8762 3  227.6282 79  58516 30339 337      40 040        C-13-H3C-13-H2C-13-N
  108745.7312  0.0011 -3.4762 3   22.5709 27  58516 30313 113      12 112        C-13-H3C-13-H2C-13-N
  108831.7562  0.0075 -6.9723 3  484.3920115  58516 30357 354      56 551        C-13-H3C-13-H2C-13-N
  108847.2986  0.0032 -4.8236 3   48.4704 37  58516 30318 217      18 118        C-13-H3C-13-H2C-13-N
  109204.5730  0.0023 -5.2891 3  137.8645 51  58516 30325 818      26 719        C-13-H3C-13-H2C-13-N
  109204.7369  0.0023 -5.2891 3  137.8645 51  58516 30325 817      26 720        C-13-H3C-13-H2C-13-N
  109213.7204  0.0070 -6.9566 3 1245.6862175  58516 303871474      861571        C-13-H3C-13-H2C-13-N
  109213.9090  0.0070 -6.9566 3 1245.6862175  58516 303871473      861572        C-13-H3C-13-H2C-13-N
  109233.6136  0.0047 -7.2722 3  457.6101107  58516 30353 845      54 648        C-13-H3C-13-H2C-13-N
  109383.5017  0.0013 -4.8320 3   18.9462 21  58516 30310 3 7      10 2 8        C-13-H3C-13-H2C-13-N
  109405.4105  0.0198 -7.1899 3  672.7971135  58516 30367 563      68 266        C-13-H3C-13-H2C-13-N
  109415.2187  0.0055 -4.8149 3   71.1790 45  58516 30322 121      22 022        C-13-H3C-13-H2C-13-N
  109704.4597  0.0035 -6.2423 3  824.5266133  58516 303661651      671552        C-13-H3C-13-H2C-13-N
  109704.4598  0.0035 -6.2423 3  824.5266133  58516 303661650      671553        C-13-H3C-13-H2C-13-N
  109758.9423  0.0025 -5.1885 3  200.9985 73  58516 30336 433      35 530        C-13-H3C-13-H2C-13-N
  110031.0299  0.0011 -3.4640 3   22.2591 27  58516 30313 013      12 012        C-13-H3C-13-H2C-13-N
  110092.0716  0.0035 -6.9589 3  132.3182 57  58516 30328 524      29 327        C-13-H3C-13-H2C-13-N
  110144.4652  0.0012 -4.5731 3   26.1983 29  58516 30314 014      13 113        C-13-H3C-13-H2C-13-N
  110153.7454  0.0013 -4.8736 3   16.0301 19  58516 303 9 3 6       9 2 7        C-13-H3C-13-H2C-13-N
  110177.4149  0.0028 -5.9487 3  709.2778133  58516 303661057      651154        C-13-H3C-13-H2C-13-N
  110214.0664  0.0028 -5.9484 3  709.2778133  58516 303661056      651155        C-13-H3C-13-H2C-13-N
  110266.3213  0.0021 -5.2985 3  190.9002 61  58516 30330 922      31 823        C-13-H3C-13-H2C-13-N
  110266.3688  0.0021 -5.2985 3  190.9002 61  58516 30330 921      31 824        C-13-H3C-13-H2C-13-N
  110629.9888  0.0183 -6.8912 3  793.4719147  58516 30373 569      72 666        C-13-H3C-13-H2C-13-N
  110646.8469  0.0150 -6.8817 3  421.1207107  58516 30353 450      54 153        C-13-H3C-13-H2C-13-N
  110734.3502  0.0013 -4.9238 3   13.4106 17  58516 303 8 3 5       8 2 6        C-13-H3C-13-H2C-13-N
  110895.2647  0.0023 -4.8276 3   42.0814 35  58516 30317 116      16 215        C-13-H3C-13-H2C-13-N
  111081.5781  0.0033 -4.5071 3  187.5665 71  58516 30335 332      35 233        C-13-H3C-13-H2C-13-N
  111093.7083  0.0043 -6.4558 3  948.3287143  58516 303711754      721657        C-13-H3C-13-H2C-13-N
  111093.7083  0.0043 -6.4558 3  948.3287143  58516 303711755      721656        C-13-H3C-13-H2C-13-N
  111151.8713  0.0013 -4.9849 3   11.0862 15  58516 303 7 3 4       7 2 5        C-13-H3C-13-H2C-13-N
  111170.7899  0.0013 -4.6283 3   18.8627 25  58516 30312 112      11 011        C-13-H3C-13-H2C-13-N
  111325.7230  0.0020 -5.3424 3  252.6320 71  58516 303351026      36 927        C-13-H3C-13-H2C-13-N
  111325.7362  0.0020 -5.3424 3  252.6320 71  58516 303351025      36 928        C-13-H3C-13-H2C-13-N
  111408.8638  0.0390 -6.9600 3 1129.8968173  58516 30386 878      86 879        C-13-H3C-13-H2C-13-N
  111435.6555  0.0013 -5.0613 3    9.0558 13  58516 303 6 3 3       6 2 4        C-13-H3C-13-H2C-13-N
  111449.9624  0.0039 -6.9763 3  195.0853 69  58516 30334 628      35 431        C-13-H3C-13-H2C-13-N
  111483.7227  0.0036 -6.9614 3  226.3508 75  58516 30337 632      38 435        C-13-H3C-13-H2C-13-N
  111615.3178  0.0013 -5.1612 3    7.3179 11  58516 303 5 3 2       5 2 3        C-13-H3C-13-H2C-13-N
  111718.7131  0.0013 -5.3045 3    5.8715  9  58516 303 4 3 1       4 2 2        C-13-H3C-13-H2C-13-N
  111762.1242  0.0028 -7.2430 3   18.8627 21  58516 30310 3 8      11 011        C-13-H3C-13-H2C-13-N
  111770.4603  0.0014 -5.5586 3    4.7157  7  58516 303 3 3 0       3 2 1        C-13-H3C-13-H2C-13-N
  111807.7032  0.0014 -5.5584 3    4.7144  7  58516 303 3 3 1       3 2 2        C-13-H3C-13-H2C-13-N
  111830.0466  0.0013 -5.3039 3    5.8678  9  58516 303 4 3 2       4 2 3        C-13-H3C-13-H2C-13-N
  111873.8013  0.0013 -5.1598 3    7.3092 11  58516 303 5 3 3       5 2 4        C-13-H3C-13-H2C-13-N
  111880.3626  0.0055 -6.6643 3 1103.4487165  58516 303821370      811467        C-13-H3C-13-H2C-13-N
  111881.1547  0.0055 -6.6643 3 1103.4487165  58516 303821369      811468        C-13-H3C-13-H2C-13-N
  111946.4309  0.0010 -3.4649 3   25.4398 27  58516 30313 212      12 211        C-13-H3C-13-H2C-13-N
  111949.1075  0.0013 -5.0585 3    9.0384 13  58516 303 6 3 4       6 2 5        C-13-H3C-13-H2C-13-N
  112015.0541  0.0038 -6.3884 3  293.1655 89  58516 30344 341      43 538        C-13-H3C-13-H2C-13-N
  112067.7289  0.0013 -4.9800 3   11.0552 15  58516 303 7 3 5       7 2 6        C-13-H3C-13-H2C-13-N
  112108.7698  0.0058 -6.7868 3  446.6874107  58516 30353 747      54 450        C-13-H3C-13-H2C-13-N
  112169.5738  0.0022 -5.2913 3  322.6733 91  58516 30345 639      44 738        C-13-H3C-13-H2C-13-N
  112190.5726  0.0171 -6.9499 3  451.9614111  58516 30355 352      56 255        C-13-H3C-13-H2C-13-N
  112204.3284  0.0028 -5.6630 3   48.3585 37  58516 30318 217      18 018        C-13-H3C-13-H2C-13-N
  112242.8402  0.0013 -4.9158 3   13.3591 17  58516 303 8 3 6       8 2 7        C-13-H3C-13-H2C-13-N
  112396.4237  0.0020 -5.4159 3  323.0535 81  58516 303401130      411031        C-13-H3C-13-H2C-13-N
  112396.4272  0.0020 -5.4159 3  323.0535 81  58516 303401129      411032        C-13-H3C-13-H2C-13-N
  112429.6633  0.0024 -5.7428 3  602.9069123  58516 30361 953      601050        C-13-H3C-13-H2C-13-N
  112488.7874  0.0013 -4.8613 3   15.9500 19  58516 303 9 3 7       9 2 8        C-13-H3C-13-H2C-13-N
  112499.7813  0.0010 -3.6687 3   59.0263 27  58516 30313 7 6      12 7 5        C-13-H3C-13-H2C-13-N
  112499.7813  0.0010 -3.6687 3   59.0263 27  58516 30313 7 7      12 7 6        C-13-H3C-13-H2C-13-N
  112504.0177  0.0010 -3.7499 3   70.1896 27  58516 30313 8 5      12 8 4        C-13-H3C-13-H2C-13-N
  112504.0177  0.0010 -3.7499 3   70.1896 27  58516 30313 8 6      12 8 5        C-13-H3C-13-H2C-13-N
  112505.4820  0.0010 -3.6038 3   49.3459 27  58516 30313 6 8      12 6 7        C-13-H3C-13-H2C-13-N
  112505.4830  0.0010 -3.6038 3   49.3459 27  58516 30313 6 7      12 6 6        C-13-H3C-13-H2C-13-N
  112514.9308  0.0010 -3.8528 3   82.8324 27  58516 30313 9 4      12 9 3        C-13-H3C-13-H2C-13-N
  112514.9308  0.0010 -3.8528 3   82.8324 27  58516 30313 9 5      12 9 4        C-13-H3C-13-H2C-13-N
  112528.1462  0.0010 -3.5520 3   41.1519 27  58516 30313 5 9      12 5 8        C-13-H3C-13-H2C-13-N
  112528.2543  0.0010 -3.5520 3   41.1519 27  58516 30313 5 8      12 5 7        C-13-H3C-13-H2C-13-N
  112530.8385  0.0011 -3.9878 3   96.9510 27  58516 3031310 3      1210 2        C-13-H3C-13-H2C-13-N
  112530.8385  0.0011 -3.9878 3   96.9510 27  58516 3031310 4      1210 3        C-13-H3C-13-H2C-13-N
  112546.4180  0.0040 -7.0719 3  345.2684 93  58516 30346 740      47 543        C-13-H3C-13-H2C-13-N
  112550.7970  0.0011 -4.1777 3  112.5414 27  58516 3031311 2      1211 1        C-13-H3C-13-H2C-13-N
  112550.7970  0.0011 -4.1777 3  112.5414 27  58516 3031311 3      1211 2        C-13-H3C-13-H2C-13-N
  112559.7419  0.0054 -6.6892 3 1080.7470153  58516 303761858      771761        C-13-H3C-13-H2C-13-N
  112559.7419  0.0054 -6.6892 3 1080.7470153  58516 303761859      771760        C-13-H3C-13-H2C-13-N
  112565.0591  0.0024 -5.7417 3  602.9067123  58516 30361 952      601051        C-13-H3C-13-H2C-13-N
  112574.2401  0.0011 -4.4963 3  129.5993 27  58516 3031312 1      1212 0        C-13-H3C-13-H2C-13-N
  112574.2401  0.0011 -4.4963 3  129.5993 27  58516 3031312 2      1212 1        C-13-H3C-13-H2C-13-N
  112582.6604  0.0010 -3.5113 3   34.4480 27  58516 30313 410      12 4 9        C-13-H3C-13-H2C-13-N
  112589.4942  0.0010 -3.5113 3   34.4483 27  58516 30313 4 9      12 4 8        C-13-H3C-13-H2C-13-N
  112633.1641  0.0010 -3.4807 3   29.2360 27  58516 30313 311      12 310        C-13-H3C-13-H2C-13-N
  112677.6731  0.0234 -7.2594 3  711.6290139  58516 30369 465      70 368        C-13-H3C-13-H2C-13-N
  112820.8263  0.0013 -4.8139 3   18.8273 21  58516 30310 3 8      10 2 9        C-13-H3C-13-H2C-13-N
  112848.0822  0.0011 -3.4791 3   29.2481 27  58516 30313 310      12 3 9        C-13-H3C-13-H2C-13-N
  112862.2007  0.0015 -4.4662 3  212.7835 75  58516 30337 433      37 334        C-13-H3C-13-H2C-13-N
  112889.4387  0.0163 -6.8770 3  238.9007 81  58516 30340 338      41 041        C-13-H3C-13-H2C-13-N
  112941.3090  0.0010 -5.2172 3    3.5506 11  58516 303 5 2 3       4 1 4        C-13-H3C-13-H2C-13-N
  113002.9798  0.0016 -4.4731 3  223.9666 77  58516 30338 434      38 335        C-13-H3C-13-H2C-13-N
  113211.0004  0.0019 -6.5040 3   11.0410  9  58516 303 4 4 1       5 3 2        C-13-H3C-13-H2C-13-N
  113213.0665  0.0019 -6.5040 3   11.0409  9  58516 303 4 4 0       5 3 3        C-13-H3C-13-H2C-13-N
  113229.9611  0.0057 -6.9317 3  531.8540119  58516 30359 554      58 751        C-13-H3C-13-H2C-13-N
  113254.8447  0.0013 -4.7720 3   21.9908 23  58516 30311 3 9      11 210        C-13-H3C-13-H2C-13-N
  113296.4604  0.0034 -4.9547 3   73.4629 45  58516 30322 220      21 319        C-13-H3C-13-H2C-13-N
  113318.9986  0.0014 -4.4577 3  201.8845 73  58516 30336 432      36 333        C-13-H3C-13-H2C-13-N
  113391.5460  0.0037 -6.5043 3  167.5468 65  58516 30332 528      33 231        C-13-H3C-13-H2C-13-N
  113454.0947  0.0034 -4.7911 3   53.7492 39  58516 30319 218      19 119        C-13-H3C-13-H2C-13-N
  113490.2110  0.0022 -5.5158 3  402.1575 91  58516 303451234      461135        C-13-H3C-13-H2C-13-N
  113490.2120  0.0022 -5.5158 3  402.1575 91  58516 303451233      461136        C-13-H3C-13-H2C-13-N
  113780.9741  0.0018 -4.4784 3  235.4314 79  58516 30339 435      39 336        C-13-H3C-13-H2C-13-N
  113781.7834  0.0034 -7.1223 3   57.5336 37  58516 30318 415      19 218        C-13-H3C-13-H2C-13-N
  113807.0759  0.0013 -4.7345 3   25.4398 25  58516 30312 310      12 211        C-13-H3C-13-H2C-13-N
  114108.4114  0.0070 -6.9421 3 1221.7675163  58516 303811962      821865        C-13-H3C-13-H2C-13-N
  114108.4114  0.0070 -6.9421 3 1221.7675163  58516 303811963      821864        C-13-H3C-13-H2C-13-N
  114168.6331  0.0190 -6.9347 3  262.2606 85  58516 30342 240      43 143        C-13-H3C-13-H2C-13-N
  114276.8762  0.0011 -3.4473 3   25.6724 27  58516 30313 211      12 210        C-13-H3C-13-H2C-13-N
  114297.6373  0.0213 -7.2001 3  692.0781137  58516 30368 564      69 267        C-13-H3C-13-H2C-13-N
  114325.7882  0.0014 -4.4479 3  191.2718 71  58516 30335 431      35 332        C-13-H3C-13-H2C-13-N
  114340.5413  0.0049 -4.5653 3  126.9624 59  58516 30329 227      29 128        C-13-H3C-13-H2C-13-N
  114356.8978  0.0078 -6.2051 3  484.3920115  58516 30357 454      56 551        C-13-H3C-13-H2C-13-N
  114448.4566  0.0044 -6.3926 3  969.7996155  58516 303771266      761363        C-13-H3C-13-H2C-13-N
  114451.6862  0.0044 -6.3926 3  969.7996155  58516 303771265      761364        C-13-H3C-13-H2C-13-N
  114493.8091  0.0013 -4.7004 3   29.1739 27  58516 30313 311      13 212        C-13-H3C-13-H2C-13-N
  114517.0769  0.0023 -5.6554 3   27.8059 19  58516 303 9 5 5      10 4 6        C-13-H3C-13-H2C-13-N
  114518.8908  0.0023 -5.6554 3   27.8058 19  58516 303 9 5 4      10 4 7        C-13-H3C-13-H2C-13-N
  114582.2397  0.0023 -5.5590 3  505.1809113  58516 30356 849      55 946        C-13-H3C-13-H2C-13-N
  114617.5178  0.0023 -5.6401 3  489.9356101  58516 303501338      511239        C-13-H3C-13-H2C-13-N
  114617.5181  0.0023 -5.6401 3  489.9356101  58516 303501337      511240        C-13-H3C-13-H2C-13-N
  114654.4744  0.0011 -3.4332 3   23.7856 27  58516 30313 112      12 111        C-13-H3C-13-H2C-13-N
  114799.1900  0.0042 -6.6068 3  396.2765103  58516 30351 447      50 644        C-13-H3C-13-H2C-13-N
  114883.9636  0.0051 -5.7830 3  480.5599113  58516 30356 551      56 552        C-13-H3C-13-H2C-13-N
  115060.6751  0.0023 -5.5553 3  505.1802113  58516 30356 848      55 947        C-13-H3C-13-H2C-13-N
  115177.0582  0.0072 -6.8585 3  467.8881113  58516 30356 353      55 550        C-13-H3C-13-H2C-13-N
  115227.9143  0.0020 -4.4819 3  247.1757 81  58516 30340 436      40 337        C-13-H3C-13-H2C-13-N
  115303.5928  0.0158 -6.8872 3  436.4054109  58516 30354 451      55 154        C-13-H3C-13-H2C-13-N
  115331.1054  0.0014 -4.6692 3   33.1926 29  58516 30314 312      14 213        C-13-H3C-13-H2C-13-N
  115429.1199  0.0010 -5.1044 3    5.1881 13  58516 303 6 2 5       5 1 4        C-13-H3C-13-H2C-13-N
  115721.7439  0.0033 -6.6338 3   74.8287 43  58516 30321 418      22 121        C-13-H3C-13-H2C-13-N
  115723.4694  0.0025 -5.4001 3   53.2804 29  58516 30314 6 9      15 510        C-13-H3C-13-H2C-13-N
  115724.2920  0.0025 -5.4001 3   53.2803 29  58516 30314 6 8      15 511        C-13-H3C-13-H2C-13-N
  115744.1138  0.0046 -5.4434 3  220.1058 77  58516 30338 335      38 336        C-13-H3C-13-H2C-13-N
  115745.0367  0.0093 -7.2142 3 1371.3757173  58516 303862066      871969        C-13-H3C-13-H2C-13-N
  115745.0367  0.0093 -7.2142 3 1371.3757173  58516 303862067      871968        C-13-H3C-13-H2C-13-N
  115787.7374  0.0025 -5.7874 3  586.3785111  58516 303551441      561344        C-13-H3C-13-H2C-13-N
  115787.7374  0.0025 -5.7874 3  586.3785111  58516 303551442      561343        C-13-H3C-13-H2C-13-N
  115819.2816  0.0057 -5.5616 3   77.6017 47  58516 30323 122      23 123        C-13-H3C-13-H2C-13-N
  115827.1134  0.0015 -4.4371 3  180.9475 69  58516 30334 430      34 331        C-13-H3C-13-H2C-13-N
  115886.9612  0.0035 -7.2387 3   42.7193 31  58516 30315 411      16 214        C-13-H3C-13-H2C-13-N
  116144.8146  0.0056 -5.4209 3  135.6817 61  58516 30330 228      30 229        C-13-H3C-13-H2C-13-N
  116211.3095  0.0031 -5.6173 3   53.6572 39  58516 30319 218      19 019        C-13-H3C-13-H2C-13-N
  116263.3702  0.0023 -5.1873 3  263.9985 83  58516 30341 537      40 634        C-13-H3C-13-H2C-13-N
  116334.5247  0.0014 -4.6405 3   37.4953 31  58516 30315 313      15 214        C-13-H3C-13-H2C-13-N
  116461.9802  0.0023 -5.3995 3  416.1117103  58516 30351 745      50 842        C-13-H3C-13-H2C-13-N
  116585.6707  0.0039 -7.0317 3  306.0521 87  58516 30343 736      44 539        C-13-H3C-13-H2C-13-N
  116598.0837  0.0199 -6.4701 3  883.4605153  58516 30376 769      76 770        C-13-H3C-13-H2C-13-N
  116798.1178  0.0027 -5.1544 3  211.4668 75  58516 30337 434      36 531        C-13-H3C-13-H2C-13-N
  116857.8864  0.0025 -5.2835 3   87.4636 39  58516 30319 713      20 614        C-13-H3C-13-H2C-13-N
  116858.1824  0.0025 -5.2835 3   87.4636 39  58516 30319 712      20 615        C-13-H3C-13-H2C-13-N
  116933.0344  0.0035 -6.1417 3  844.7536145  58516 303721162      711259        C-13-H3C-13-H2C-13-N
  116945.7875  0.0035 -6.1416 3  844.7536145  58516 303721161      711260        C-13-H3C-13-H2C-13-N
  117009.4228  0.0028 -5.9566 3  691.4762121  58516 303601545      611448        C-13-H3C-13-H2C-13-N
  117009.4228  0.0028 -5.9566 3  691.4762121  58516 303601546      611447        C-13-H3C-13-H2C-13-N
  117013.8317  0.0056 -4.7733 3   77.5618 47  58516 30323 122      23 023        C-13-H3C-13-H2C-13-N
  117027.3989  0.0011 -3.3878 3   26.1983 29  58516 30314 114      13 113        C-13-H3C-13-H2C-13-N
  117060.4492  0.0035 -4.4879 3  197.9798 73  58516 30336 333      36 234        C-13-H3C-13-H2C-13-N
  117298.6067  0.0034 -5.0033 3  121.2573 57  58516 30328 325      27 424        C-13-H3C-13-H2C-13-N
  117344.9113  0.0175 -6.8789 3  250.4447 83  58516 30341 339      42 042        C-13-H3C-13-H2C-13-N
  117367.5888  0.0022 -4.4836 3  259.1970 83  58516 30341 437      41 338        C-13-H3C-13-H2C-13-N
  117476.5683  0.0034 -6.9297 3  123.9657 55  58516 30327 523      28 326        C-13-H3C-13-H2C-13-N
  117478.3792  0.0028 -5.0708 3  180.8924 69  58516 30334 430      33 529        C-13-H3C-13-H2C-13-N
  117504.7499  0.0023 -5.2705 3  335.7121 93  58516 30346 641      45 738        C-13-H3C-13-H2C-13-N
  117518.8691  0.0015 -4.6137 3   42.0814 33  58516 30316 314      16 215        C-13-H3C-13-H2C-13-N
  117760.0413  0.0016 -4.4256 3  170.9138 67  58516 30333 429      33 330        C-13-H3C-13-H2C-13-N
  117781.5834  0.0080 -6.0768 3  666.9591133  58516 30366 660      66 661        C-13-H3C-13-H2C-13-N
  117945.6922  0.0024 -5.2374 3  130.3531 49  58516 30324 817      25 718        C-13-H3C-13-H2C-13-N
  117945.7869  0.0024 -5.2374 3  130.3531 49  58516 30324 816      25 719        C-13-H3C-13-H2C-13-N
  118033.2058  0.0073 -6.9355 3 1270.7027177  58516 303881475      871572        C-13-H3C-13-H2C-13-N
  118033.4596  0.0073 -6.9355 3 1270.7027177  58516 303881474      871573        C-13-H3C-13-H2C-13-N
  118058.2635  0.0044 -5.5585 3  337.9279 95  58516 30347 443      47 444        C-13-H3C-13-H2C-13-N
  118062.5682  0.0023 -5.3873 3  416.1089103  58516 30351 744      50 843        C-13-H3C-13-H2C-13-N
  118092.9464  0.0014 -4.5372 3   22.2591 27  58516 30313 113      12 012        C-13-H3C-13-H2C-13-N
  118206.3818  0.0011 -3.3775 3   25.9294 29  58516 30314 014      13 013        C-13-H3C-13-H2C-13-N
  118209.5747  0.0179 -6.9473 3  467.7869113  58516 30356 353      57 256        C-13-H3C-13-H2C-13-N
  118264.8387  0.0036 -4.7604 3   59.3020 41  58516 30320 219      20 120        C-13-H3C-13-H2C-13-N
  118290.4139  0.0034 -6.1470 3  805.2174131  58516 303651649      661552        C-13-H3C-13-H2C-13-N
  118290.4139  0.0034 -6.1470 3  805.2174131  58516 303651650      661551        C-13-H3C-13-H2C-13-N
  118674.5916  0.0046 -6.5587 3  284.0622 85  58516 30342 637      43 340        C-13-H3C-13-H2C-13-N
  118677.3914  0.0040 -6.3455 3  306.0521 91  58516 30345 342      44 539        C-13-H3C-13-H2C-13-N
  118764.2582  0.0023 -5.1457 3  252.3749 81  58516 30340 535      39 634        C-13-H3C-13-H2C-13-N
  118897.9471  0.0016 -4.5887 3   46.9502 35  58516 30317 315      17 216        C-13-H3C-13-H2C-13-N
  119007.5732  0.0022 -5.2384 3  181.9447 59  58516 30329 921      30 822        C-13-H3C-13-H2C-13-N
  119007.6013  0.0022 -5.2384 3  181.9447 59  58516 30329 920      30 823        C-13-H3C-13-H2C-13-N
  119230.4301  0.0228 -7.2120 3  711.6281139  58516 30369 565      70 268        C-13-H3C-13-H2C-13-N
  119349.6775  0.0029 -5.9117 3  728.3245135  58516 303671058      661155        C-13-H3C-13-H2C-13-N
  119398.3044  0.0029 -5.9113 3  728.3245135  58516 303671057      661156        C-13-H3C-13-H2C-13-N
  119474.5671  0.0012 -4.4677 3   30.1019 31  58516 30315 015      14 114        C-13-H3C-13-H2C-13-N
  119534.1320  0.0086 -7.0455 3  626.6317127  58516 30363 856      64 559        C-13-H3C-13-H2C-13-N
  119637.9168  0.0042 -6.3578 3  927.5903141  58516 303701753      711656        C-13-H3C-13-H2C-13-N
  119637.9168  0.0042 -6.3578 3  927.5903141  58516 303701754      711655        C-13-H3C-13-H2C-13-N
  119656.6813  0.0036 -6.9121 3  215.3628 73  58516 30336 631      37 434        C-13-H3C-13-H2C-13-N
  119823.2676  0.0040 -6.9786 3  101.3180 49  58516 30324 519      25 322        C-13-H3C-13-H2C-13-N
  120024.4296  0.0203 -6.9285 3  274.3474 87  58516 30343 241      44 144        C-13-H3C-13-H2C-13-N
  120027.5831  0.0167 -6.8941 3  451.9607111  58516 30355 452      56 155        C-13-H3C-13-H2C-13-N
  120055.0260  0.0018 -4.4136 3  161.1727 65  58516 30332 428      32 329        C-13-H3C-13-H2C-13-N
  120060.4554  0.0020 -5.2760 3  242.2335 69  58516 303341025      35 926        C-13-H3C-13-H2C-13-N
  120060.4633  0.0020 -5.2760 3  242.2335 69  58516 303341024      35 927        C-13-H3C-13-H2C-13-N
  120215.5976  0.0024 -4.4836 3  271.4932 85  58516 30342 438      42 339        C-13-H3C-13-H2C-13-N
  120477.3315  0.0011 -3.3756 3   29.1739 29  58516 30314 213      13 212        C-13-H3C-13-H2C-13-N
  120484.3611  0.0017 -4.5653 3   52.1012 37  58516 30318 316      18 217        C-13-H3C-13-H2C-13-N
  120517.0335  0.0034 -5.5757 3   59.2269 41  58516 30320 219      20 020        C-13-H3C-13-H2C-13-N
  120585.1309  0.0033 -7.1304 3   52.1012 35  58516 30317 414      18 217        C-13-H3C-13-H2C-13-N
  120739.5058  0.0069 -6.7540 3  451.6762111  58516 30355 352      54 549        C-13-H3C-13-H2C-13-N
  120788.3847  0.0058 -6.6408 3 1127.0492167  58516 303831371      821468        C-13-H3C-13-H2C-13-N
  120789.4474  0.0058 -6.6408 3 1127.0492167  58516 303831370      821469        C-13-H3C-13-H2C-13-N
  120886.9215  0.0166 -6.7466 3  772.3364145  58516 30372 568      71 665        C-13-H3C-13-H2C-13-N
  121058.5531  0.0052 -6.5887 3 1058.5820151  58516 303751857      761760        C-13-H3C-13-H2C-13-N
  121058.5531  0.0052 -6.5887 3 1058.5820151  58516 303751858      761759        C-13-H3C-13-H2C-13-N
  121118.5639  0.0020 -5.3442 3  311.2134 79  58516 303391129      401030        C-13-H3C-13-H2C-13-N
  121118.5660  0.0020 -5.3442 3  311.2134 79  58516 303391128      401031        C-13-H3C-13-H2C-13-N
  121159.0518  0.0011 -3.5564 3   62.7789 29  58516 30314 7 7      13 7 6        C-13-H3C-13-H2C-13-N
  121159.0518  0.0011 -3.5564 3   62.7789 29  58516 30314 7 8      13 7 7        C-13-H3C-13-H2C-13-N
  121161.2905  0.0011 -3.6264 3   73.9423 29  58516 30314 8 6      13 8 5        C-13-H3C-13-H2C-13-N
  121161.2905  0.0011 -3.6264 3   73.9423 29  58516 30314 8 7      13 8 6        C-13-H3C-13-H2C-13-N
  121168.8194  0.0011 -3.4994 3   53.0987 29  58516 30314 6 9      13 6 8        C-13-H3C-13-H2C-13-N
  121168.8218  0.0011 -3.4994 3   53.0987 29  58516 30314 6 8      13 6 7        C-13-H3C-13-H2C-13-N
  121171.4630  0.0011 -3.7125 3   86.5855 29  58516 30314 9 5      13 9 4        C-13-H3C-13-H2C-13-N
  121171.4630  0.0011 -3.7125 3   86.5855 29  58516 30314 9 6      13 9 5        C-13-H3C-13-H2C-13-N
  121187.4698  0.0011 -3.8203 3  100.7046 29  58516 3031410 4      1310 3        C-13-H3C-13-H2C-13-N
  121187.4698  0.0011 -3.8203 3  100.7046 29  58516 3031410 5      1310 4        C-13-H3C-13-H2C-13-N
  121199.3442  0.0011 -3.4532 3   44.9054 29  58516 30314 510      13 5 9        C-13-H3C-13-H2C-13-N
  121199.5598  0.0011 -3.4532 3   44.9054 29  58516 30314 5 9      13 5 8        C-13-H3C-13-H2C-13-N
  121208.1339  0.0011 -3.9598 3  116.2957 29  58516 3031411 3      1311 2        C-13-H3C-13-H2C-13-N
  121208.1339  0.0011 -3.9598 3  116.2957 29  58516 3031411 4      1311 3        C-13-H3C-13-H2C-13-N
  121232.7502  0.0012 -4.1542 3  133.3544 29  58516 3031412 2      1312 1        C-13-H3C-13-H2C-13-N
  121232.7502  0.0012 -4.1542 3  133.3544 29  58516 3031412 3      1312 2        C-13-H3C-13-H2C-13-N
  121260.8725  0.0012 -4.4772 3  151.8759 29  58516 3031413 1      1313 0        C-13-H3C-13-H2C-13-N
  121260.8725  0.0012 -4.4772 3  151.8759 29  58516 3031413 2      1313 1        C-13-H3C-13-H2C-13-N
  121267.9391  0.0011 -3.4165 3   38.2034 29  58516 30314 411      13 410        C-13-H3C-13-H2C-13-N
  121279.5134  0.0011 -3.4164 3   38.2038 29  58516 30314 410      13 4 9        C-13-H3C-13-H2C-13-N
  121314.6278  0.0011 -3.3888 3   32.9930 29  58516 30314 312      13 311        C-13-H3C-13-H2C-13-N
  121420.7704  0.0040 -7.0068 3  331.6521 91  58516 30345 739      46 542        C-13-H3C-13-H2C-13-N
  121624.0436  0.0011 -3.3866 3   33.0123 29  58516 30314 311      13 310        C-13-H3C-13-H2C-13-N
  121702.9305  0.0025 -5.7029 3  620.5255125  58516 30362 954      611051        C-13-H3C-13-H2C-13-N
  121757.8874  0.0075 -6.0829 3  467.8881113  58516 30356 453      55 550        C-13-H3C-13-H2C-13-N
  121881.1457  0.0025 -5.7016 3  620.5253125  58516 30362 953      611052        C-13-H3C-13-H2C-13-N
  121884.6202  0.0188 -6.8818 3  262.2602 85  58516 30342 340      43 043        C-13-H3C-13-H2C-13-N
  121975.1695  0.0050 -4.5335 3  135.4872 61  58516 30330 228      30 129        C-13-H3C-13-H2C-13-N
  122194.1872  0.0021 -5.4396 3  388.8771 89  58516 303441233      451134        C-13-H3C-13-H2C-13-N
  122194.1878  0.0021 -5.4396 3  388.8771 89  58516 303441232      451135        C-13-H3C-13-H2C-13-N
  122289.3206  0.0018 -4.5431 3   57.5336 39  58516 30319 317      19 218        C-13-H3C-13-H2C-13-N
  122400.6998  0.0024 -4.7022 3   46.9502 37  58516 30318 117      17 216        C-13-H3C-13-H2C-13-N
  122485.2670  0.0023 -5.2325 3  335.7022 93  58516 30346 640      45 739        C-13-H3C-13-H2C-13-N
  122558.3883  0.0066 -6.8393 3 1198.1789161  58516 303801961      811864        C-13-H3C-13-H2C-13-N
  122558.3883  0.0066 -6.8393 3 1198.1789161  58516 303801962      811863        C-13-H3C-13-H2C-13-N
  122637.3145  0.0019 -4.4015 3  151.7260 63  58516 30331 427      31 328        C-13-H3C-13-H2C-13-N
  122663.9140  0.0011 -5.0086 3    6.9635 15  58516 303 7 2 6       6 1 5        C-13-H3C-13-H2C-13-N
  122803.3512  0.0045 -7.1672 3  441.8190105  58516 30352 844      53 647        C-13-H3C-13-H2C-13-N
  122866.1954  0.0422 -6.9427 3 1155.0078175  58516 30387 879      87 880        C-13-H3C-13-H2C-13-N
  123024.6299  0.0011 -5.1222 3    4.9521 13  58516 303 6 2 4       5 1 5        C-13-H3C-13-H2C-13-N
  123200.6275  0.0023 -5.7160 3   24.9187 17  58516 303 8 5 4       9 4 5        C-13-H3C-13-H2C-13-N
  123201.4053  0.0023 -5.7160 3   24.9186 17  58516 303 8 5 3       9 4 6        C-13-H3C-13-H2C-13-N
  123267.0508  0.0011 -3.3561 3   29.4842 29  58516 30314 212      13 211        C-13-H3C-13-H2C-13-N
  123267.7082  0.0038 -4.7314 3   65.1285 43  58516 30321 220      21 121        C-13-H3C-13-H2C-13-N
  123298.1838  0.0023 -5.5600 3  475.2166 99  58516 303491337      501238        C-13-H3C-13-H2C-13-N
  123298.1839  0.0023 -5.5600 3  475.2166 99  58516 303491336      501239        C-13-H3C-13-H2C-13-N
  123310.6281  0.0011 -3.3458 3   27.6101 29  58516 30314 113      13 112        C-13-H3C-13-H2C-13-N
  123343.8250  0.0038 -6.4922 3  157.9430 63  58516 30331 527      32 230        C-13-H3C-13-H2C-13-N
  123426.5464  0.0029 -5.1293 3  222.2337 77  58516 30338 435      37 532        C-13-H3C-13-H2C-13-N
  123448.6898  0.0047 -6.3667 3  991.9811157  58516 303781267      771364        C-13-H3C-13-H2C-13-N
  123453.0043  0.0047 -6.3666 3  991.9811157  58516 303781266      771365        C-13-H3C-13-H2C-13-N
  123490.6167  0.0045 -7.1860 3  472.7556109  58516 30354 847      55 650        C-13-H3C-13-H2C-13-N
  123595.9468  0.0036 -4.4686 3  208.6608 75  58516 30337 334      37 235        C-13-H3C-13-H2C-13-N
  123670.0030  0.0058 -5.5187 3   84.2480 49  58516 30324 123      24 124        C-13-H3C-13-H2C-13-N
  123778.8506  0.0026 -4.4819 3  284.0622 87  58516 30343 439      43 340        C-13-H3C-13-H2C-13-N
  123944.6659  0.0024 -5.5163 3  521.3692115  58516 30357 850      56 947        C-13-H3C-13-H2C-13-N
  124094.6789  0.0188 -6.9483 3  483.8829115  58516 30357 354      58 257        C-13-H3C-13-H2C-13-N
  124142.9452  0.0088 -7.1091 3 1346.3664171  58516 303852065      861968        C-13-H3C-13-H2C-13-N
  124142.9452  0.0088 -7.1091 3 1346.3664171  58516 303852066      861967        C-13-H3C-13-H2C-13-N
  124184.8183  0.0043 -6.3209 3  319.2448 93  58516 30346 343      45 540        C-13-H3C-13-H2C-13-N
  124288.1661  0.0033 -6.6672 3   68.4657 41  58516 30320 417      21 120        C-13-H3C-13-H2C-13-N
  124322.4814  0.0019 -4.5221 3   63.2469 41  58516 30320 318      20 219        C-13-H3C-13-H2C-13-N
  124381.3835  0.0038 -6.9072 3  184.8111 67  58516 30333 627      34 430        C-13-H3C-13-H2C-13-N
  124428.9468  0.0025 -5.3946 3   48.9482 27  58516 30313 6 8      14 5 9        C-13-H3C-13-H2C-13-N
  124429.3587  0.0025 -5.3946 3   48.9482 27  58516 30313 6 7      14 510        C-13-H3C-13-H2C-13-N
  124440.3103  0.0025 -5.7038 3  570.2228109  58516 303541441      551342        C-13-H3C-13-H2C-13-N
  124440.3104  0.0025 -5.7038 3  570.2228109  58516 303541440      551343        C-13-H3C-13-H2C-13-N
  124568.1224  0.0024 -5.5119 3  521.3682115  58516 30357 849      56 948        C-13-H3C-13-H2C-13-N
  124629.7216  0.0056 -4.7350 3   84.2160 49  58516 30324 123      24 024        C-13-H3C-13-H2C-13-N
  124807.5408  0.0176 -6.9024 3  467.7864113  58516 30356 453      57 156        C-13-H3C-13-H2C-13-N
  124842.3433  0.0023 -5.1431 3  275.8911 85  58516 30342 538      41 635        C-13-H3C-13-H2C-13-N
  124993.7439  0.0055 -5.3792 3  144.4427 63  58516 30331 229      31 230        C-13-H3C-13-H2C-13-N
  125089.3154  0.0014 -4.4520 3   25.9294 29  58516 30314 114      13 013        C-13-H3C-13-H2C-13-N
  125098.4373  0.0036 -5.5375 3   65.0674 43  58516 30321 220      21 021        C-13-H3C-13-H2C-13-N
  125103.9193  0.0034 -6.9060 3  115.8961 53  58516 30326 522      27 325        C-13-H3C-13-H2C-13-N
  125234.9541  0.0058 -6.7203 3  430.8885105  58516 30352 746      53 449        C-13-H3C-13-H2C-13-N
  125296.0128  0.0012 -3.3067 3   30.1019 31  58516 30315 115      14 114        C-13-H3C-13-H2C-13-N
  125404.3656  0.0044 -5.4048 3  231.2484 79  58516 30339 336      39 337        C-13-H3C-13-H2C-13-N
  125428.8725  0.0021 -4.3895 3  142.5757 61  58516 30330 426      30 327        C-13-H3C-13-H2C-13-N
  125437.2310  0.0065 -6.6590 3  435.7588109  58516 30354 351      53 548        C-13-H3C-13-H2C-13-N
  125578.8754  0.0026 -5.2532 3   81.6864 37  58516 30318 712      19 613        C-13-H3C-13-H2C-13-N
  125579.0352  0.0026 -5.2532 3   81.6864 37  58516 30318 711      19 614        C-13-H3C-13-H2C-13-N
  125629.4354  0.0027 -5.8697 3  673.8858119  58516 303591544      601447        C-13-H3C-13-H2C-13-N
  125629.4354  0.0027 -5.8697 3  673.8858119  58516 303591545      601446        C-13-H3C-13-H2C-13-N
  125688.9293  0.0052 -5.7522 3  496.9929115  58516 30357 552      57 553        C-13-H3C-13-H2C-13-N
  125760.1059  0.0217 -6.9253 3  286.7056 89  58516 30344 242      45 145        C-13-H3C-13-H2C-13-N
  125851.0137  0.0024 -5.3545 3  430.8680105  58516 30352 746      51 843        C-13-H3C-13-H2C-13-N
  126030.6292  0.0037 -6.1131 3  865.5132147  58516 303731163      721260        C-13-H3C-13-H2C-13-N
  126047.5758  0.0037 -6.1130 3  865.5131147  58516 303731162      721261        C-13-H3C-13-H2C-13-N
  126138.1247  0.0043 -6.5192 3  411.1531105  58516 30352 448      51 645        C-13-H3C-13-H2C-13-N
  126140.8720  0.0034 -4.8370 3   79.8195 47  58516 30323 221      22 320        C-13-H3C-13-H2C-13-N
  126357.5007  0.0012 -3.2981 3   29.8723 31  58516 30315 015      14 014        C-13-H3C-13-H2C-13-N
  126496.1034  0.0201 -6.8858 3  274.3471 87  58516 30343 341      44 044        C-13-H3C-13-H2C-13-N
  126591.8110  0.0021 -4.5022 3   69.2402 43  58516 30321 319      21 220        C-13-H3C-13-H2C-13-N
  126674.9513  0.0024 -5.1933 3  123.1311 47  58516 30323 816      24 717        C-13-H3C-13-H2C-13-N
  126675.0047  0.0024 -5.1933 3  123.1311 47  58516 30323 815      24 718        C-13-H3C-13-H2C-13-N
  126724.3718  0.0023 -5.2242 3  349.0357 95  58516 30347 642      46 739        C-13-H3C-13-H2C-13-N
  126864.7317  0.0077 -6.9199 3 1296.0035179  58516 303891476      881573        C-13-H3C-13-H2C-13-N
  126865.0720  0.0077 -6.9199 3 1296.0035179  58516 303891475      881574        C-13-H3C-13-H2C-13-N
  126873.6776  0.0033 -6.0571 3  786.1947129  58516 303641648      651551        C-13-H3C-13-H2C-13-N
  126873.6776  0.0033 -6.0571 3  786.1947129  58516 303641649      651550        C-13-H3C-13-H2C-13-N
  127654.4384  0.0032 -7.1471 3   46.9502 33  58516 30316 413      17 216        C-13-H3C-13-H2C-13-N
  127678.9908  0.0058 -6.8236 3  549.0189121  58516 30360 555      59 752        C-13-H3C-13-H2C-13-N
  127738.0713  0.0022 -5.1852 3  173.2787 57  58516 30328 920      29 821        C-13-H3C-13-H2C-13-N
  127738.0877  0.0022 -5.1852 3  173.2787 57  58516 30328 919      29 822        C-13-H3C-13-H2C-13-N
  127909.8154  0.0024 -5.3398 3  430.8642105  58516 30352 745      51 844        C-13-H3C-13-H2C-13-N
  128028.6235  0.0035 -6.8681 3  204.6596 71  58516 30335 630      36 433        C-13-H3C-13-H2C-13-N
  128054.8674  0.0028 -4.4789 3  296.9019 89  58516 30344 440      44 341        C-13-H3C-13-H2C-13-N
  128124.6166  0.0217 -6.4493 3  905.6943155  58516 30377 770      77 771        C-13-H3C-13-H2C-13-N
  128180.4947  0.0040 -6.2651 3  907.1377139  58516 303691752      701655        C-13-H3C-13-H2C-13-N
  128180.4947  0.0040 -6.2651 3  907.1377139  58516 303691753      701654        C-13-H3C-13-H2C-13-N
  128350.7258  0.0022 -4.3780 3  133.7231 59  58516 30329 425      29 326        C-13-H3C-13-H2C-13-N
  128426.2089  0.0044 -5.5245 3  351.7201 97  58516 30348 444      48 445        C-13-H3C-13-H2C-13-N
  128450.0910  0.0040 -4.7041 3   71.2284 45  58516 30322 221      22 122        C-13-H3C-13-H2C-13-N
  128495.9233  0.0045 -6.3135 3  332.7437 95  58516 30347 344      46 541        C-13-H3C-13-H2C-13-N
  128550.5094  0.0030 -5.8804 3  747.6593137  58516 303681059      671156        C-13-H3C-13-H2C-13-N
  128554.8875  0.0072 -5.9676 3  451.6762111  58516 30355 452      54 549        C-13-H3C-13-H2C-13-N
  128614.6990  0.0030 -5.8799 3  747.6593137  58516 303681058      671157        C-13-H3C-13-H2C-13-N
  128670.4454  0.0012 -4.3725 3   34.2813 33  58516 30316 016      15 115        C-13-H3C-13-H2C-13-N
  128785.6436  0.0021 -5.2158 3  232.1243 67  58516 303331024      34 925        C-13-H3C-13-H2C-13-N
  128785.6484  0.0021 -5.2158 3  232.1243 67  58516 303331023      34 926        C-13-H3C-13-H2C-13-N
  128991.1341  0.0011 -3.2938 3   33.1926 31  58516 30315 214      14 213        C-13-H3C-13-H2C-13-N
  129073.3687  0.0087 -6.0515 3  686.2993135  58516 30367 661      67 662        C-13-H3C-13-H2C-13-N
  129103.4820  0.0022 -4.4832 3   75.5131 45  58516 30322 320      22 221        C-13-H3C-13-H2C-13-N
  129192.2301  0.0062 -6.5738 3  420.1380107  58516 30353 350      52 547        C-13-H3C-13-H2C-13-N
  129556.7396  0.0050 -6.4933 3 1036.7021149  58516 303741856      751759        C-13-H3C-13-H2C-13-N
  129556.7396  0.0050 -6.4933 3 1036.7021149  58516 303741857      751758        C-13-H3C-13-H2C-13-N
  129588.6441  0.0031 -5.1130 3  233.3002 79  58516 30339 436      38 533        C-13-H3C-13-H2C-13-N
  129633.3904  0.0185 -6.9120 3  483.8824115  58516 30357 454      58 157        C-13-H3C-13-H2C-13-N
  129670.6396  0.0011 -4.9200 3    9.0338 17  58516 303 8 2 7       7 1 6        C-13-H3C-13-H2C-13-N
  129711.8184  0.0061 -6.6228 3 1150.9351169  58516 303841372      831469        C-13-H3C-13-H2C-13-N
  129713.2383  0.0061 -6.6228 3 1150.9351169  58516 303841371      831470        C-13-H3C-13-H2C-13-N
  129736.0125  0.0038 -6.9489 3  293.1655 85  58516 30342 735      43 538        C-13-H3C-13-H2C-13-N
  129819.2491  0.0011 -3.5189 3   77.9838 31  58516 30315 8 7      14 8 6        C-13-H3C-13-H2C-13-N
  129819.2491  0.0011 -3.5189 3   77.9838 31  58516 30315 8 8      14 8 7        C-13-H3C-13-H2C-13-N
  129819.5231  0.0011 -3.4569 3   66.8203 31  58516 30315 7 8      14 7 7        C-13-H3C-13-H2C-13-N
  129819.5231  0.0011 -3.4569 3   66.8203 31  58516 30315 7 9      14 7 8        C-13-H3C-13-H2C-13-N
  129828.3313  0.0011 -3.5936 3   90.6273 31  58516 30315 9 6      14 9 5        C-13-H3C-13-H2C-13-N
  129828.3313  0.0011 -3.5936 3   90.6273 31  58516 30315 9 7      14 9 6        C-13-H3C-13-H2C-13-N
  129832.4008  0.0020 -5.2784 3  299.6621 77  58516 303381128      391029        C-13-H3C-13-H2C-13-N
  129832.4021  0.0020 -5.2784 3  299.6621 77  58516 303381127      391030        C-13-H3C-13-H2C-13-N
  129834.1636  0.0011 -3.4057 3   57.1405 31  58516 30315 610      14 6 9        C-13-H3C-13-H2C-13-N
  129834.1688  0.0011 -3.4057 3   57.1405 31  58516 30315 6 9      14 6 8        C-13-H3C-13-H2C-13-N
  129843.1848  0.0050 -4.5035 3  144.2810 63  58516 30331 229      31 130        C-13-H3C-13-H2C-13-N
  129844.1885  0.0012 -3.6844 3  104.7470 31  58516 3031510 5      1410 4        C-13-H3C-13-H2C-13-N
  129844.1885  0.0012 -3.6844 3  104.7470 31  58516 3031510 6      1410 5        C-13-H3C-13-H2C-13-N
  129859.1268  0.0198 -6.9522 3  500.2491117  58516 30358 355      59 258        C-13-H3C-13-H2C-13-N
  129865.3748  0.0012 -3.7966 3  120.3388 31  58516 3031511 4      1411 3        C-13-H3C-13-H2C-13-N
  129865.3748  0.0012 -3.7966 3  120.3388 31  58516 3031511 5      1411 4        C-13-H3C-13-H2C-13-N
  129873.8884  0.0011 -3.3638 3   48.9482 31  58516 30315 511      14 510        C-13-H3C-13-H2C-13-N
  129874.2969  0.0011 -3.3638 3   48.9482 31  58516 30315 510      14 5 9        C-13-H3C-13-H2C-13-N
  129891.0248  0.0012 -3.9405 3  137.3983 31  58516 3031512 3      1412 2        C-13-H3C-13-H2C-13-N
  129891.0248  0.0012 -3.9405 3  137.3983 31  58516 3031512 4      1412 3        C-13-H3C-13-H2C-13-N
  129920.5919  0.0012 -4.1392 3  155.9207 31  58516 3031513 2      1413 1        C-13-H3C-13-H2C-13-N
  129920.5919  0.0012 -4.1392 3  155.9207 31  58516 3031513 3      1413 2        C-13-H3C-13-H2C-13-N
  129931.7773  0.0038 -5.5024 3   71.1790 45  58516 30322 221      22 022        C-13-H3C-13-H2C-13-N
  129953.7145  0.0013 -4.4664 3  175.9010 31  58516 3031514 1      1414 0        C-13-H3C-13-H2C-13-N
  129953.7145  0.0013 -4.4664 3  175.9010 31  58516 3031514 2      1414 1        C-13-H3C-13-H2C-13-N
  129958.0827  0.0011 -3.3302 3   42.2484 31  58516 30315 412      14 411        C-13-H3C-13-H2C-13-N
  129976.9380  0.0011 -3.3301 3   42.2493 31  58516 30315 411      14 410        C-13-H3C-13-H2C-13-N
  129994.5534  0.0011 -3.3049 3   37.0397 31  58516 30315 313      14 312        C-13-H3C-13-H2C-13-N
  130054.3966  0.0029 -4.9888 3  190.7471 71  58516 30335 431      34 530        C-13-H3C-13-H2C-13-N
  130211.0064  0.0024 -5.0795 3  263.9651 83  58516 30341 536      40 635        C-13-H3C-13-H2C-13-N
  130427.3191  0.0012 -3.3020 3   37.0693 31  58516 30315 312      14 311        C-13-H3C-13-H2C-13-N
  130450.9085  0.0039 -6.9471 3  318.3219 89  58516 30344 738      45 541        C-13-H3C-13-H2C-13-N
  130525.5626  0.0045 -6.5216 3  271.4932 83  58516 30341 636      42 339        C-13-H3C-13-H2C-13-N
  130542.5971  0.0035 -4.9039 3  129.3687 59  58516 30329 326      28 425        C-13-H3C-13-H2C-13-N
  130638.4584  0.0036 -4.4497 3  219.6090 77  58516 30338 335      38 236        C-13-H3C-13-H2C-13-N
  130872.0456  0.0151 -6.6089 3  751.4792143  58516 30371 567      70 664        C-13-H3C-13-H2C-13-N
  130891.0936  0.0021 -5.3692 3  375.8851 87  58516 303431232      441133        C-13-H3C-13-H2C-13-N
  130891.0939  0.0021 -5.3692 3  375.8851 87  58516 303431231      441134        C-13-H3C-13-H2C-13-N
  131008.6935  0.0063 -6.7413 3 1174.8745159  58516 303791960      801863        C-13-H3C-13-H2C-13-N
  131008.6935  0.0063 -6.7413 3 1174.8745159  58516 303791961      801862        C-13-H3C-13-H2C-13-N
  131009.2134  0.0026 -5.6688 3  638.4331127  58516 30363 955      621052        C-13-H3C-13-H2C-13-N
  131168.1247  0.0214 -6.8910 3  286.7054 89  58516 30344 342      45 045        C-13-H3C-13-H2C-13-N
  131242.5304  0.0026 -5.6672 3  638.4328127  58516 30363 954      621053        C-13-H3C-13-H2C-13-N
  131325.5642  0.0022 -4.3672 3  125.1700 57  58516 30328 424      28 325        C-13-H3C-13-H2C-13-N
  131386.7373  0.0231 -6.9249 3  299.3350 91  58516 30345 243      46 146        C-13-H3C-13-H2C-13-N
  131457.2453  0.0058 -5.4794 3   91.1672 51  58516 30325 124      25 125        C-13-H3C-13-H2C-13-N
  131587.6974  0.0048 -6.3222 3  346.5488 97  58516 30348 345      47 542        C-13-H3C-13-H2C-13-N
  131861.7928  0.0024 -4.4652 3   82.0647 47  58516 30323 321      23 222        C-13-H3C-13-H2C-13-N
  131874.1028  0.0022 -5.8220 3   22.3206 15  58516 303 7 5 3       8 4 4        C-13-H3C-13-H2C-13-N
  131874.4020  0.0022 -5.8220 3   22.3206 15  58516 303 7 5 2       8 4 5        C-13-H3C-13-H2C-13-N
  131885.2556  0.0040 -6.9472 3   93.9723 47  58516 30323 518      24 321        C-13-H3C-13-H2C-13-N
  131924.3543  0.0011 -3.2659 3   31.7233 31  58516 30315 114      14 113        C-13-H3C-13-H2C-13-N
  131931.9106  0.0059 -6.4990 3  404.8158105  58516 30352 349      51 546        C-13-H3C-13-H2C-13-N
  131972.9851  0.0023 -5.4854 3  460.7856 97  58516 303481336      491237        C-13-H3C-13-H2C-13-N
  131972.9852  0.0023 -5.4854 3  460.7856 97  58516 303481335      491238        C-13-H3C-13-H2C-13-N
  132178.9464  0.0014 -4.3723 3   29.8723 31  58516 30315 115      14 014        C-13-H3C-13-H2C-13-N
  132225.8934  0.0057 -4.6999 3   91.1415 51  58516 30325 124      25 025        C-13-H3C-13-H2C-13-N
  132260.8534  0.0012 -3.2727 3   33.5960 31  58516 30315 213      14 212        C-13-H3C-13-H2C-13-N
  132468.3756  0.0049 -6.3460 3 1014.4489159  58516 303791268      781365        C-13-H3C-13-H2C-13-N
  132474.1139  0.0049 -6.3460 3 1014.4489159  58516 303791267      781366        C-13-H3C-13-H2C-13-N
  132542.0842  0.0084 -7.0087 3 1321.6405169  58516 303842064      851967        C-13-H3C-13-H2C-13-N
  132542.0842  0.0084 -7.0087 3 1321.6405169  58516 303842065      851966        C-13-H3C-13-H2C-13-N
  132948.3576  0.0034 -6.8880 3  108.1104 51  58516 30325 521      26 324        C-13-H3C-13-H2C-13-N
  133018.4025  0.0023 -5.1795 3  349.0225 95  58516 30347 641      46 740        C-13-H3C-13-H2C-13-N
  133031.0223  0.0029 -4.4748 3  310.0108 91  58516 30345 441      45 342        C-13-H3C-13-H2C-13-N
  133041.7176  0.0012 -7.0096 3    2.8801 11  58516 303 5 2 3       4 0 4        C-13-H3C-13-H2C-13-N
  133085.0012  0.0043 -7.1135 3  456.8079107  58516 30353 846      54 649        C-13-H3C-13-H2C-13-N
  133088.1846  0.0024 -5.6254 3  554.3546107  58516 303531439      541342        C-13-H3C-13-H2C-13-N
  133088.1846  0.0024 -5.6254 3  554.3546107  58516 303531440      541341        C-13-H3C-13-H2C-13-N
  133123.0246  0.0025 -5.4042 3   44.9054 25  58516 30312 6 7      13 5 8        C-13-H3C-13-H2C-13-N
  133123.2199  0.0025 -5.4042 3   44.9054 25  58516 30312 6 6      13 5 9        C-13-H3C-13-H2C-13-N
  133244.5180  0.0024 -5.1059 3  288.0784 87  58516 30343 539      42 636        C-13-H3C-13-H2C-13-N
  133328.7760  0.0034 -6.7128 3   62.3776 39  58516 30319 416      20 119        C-13-H3C-13-H2C-13-N
  133339.4173  0.0024 -5.4794 3  537.8474117  58516 30358 851      57 948        C-13-H3C-13-H2C-13-N
  133455.7564  0.0050 -6.3462 3  360.6595 99  58516 30349 346      48 543        C-13-H3C-13-H2C-13-N
  133497.4900  0.0013 -5.0394 3    6.6332 15  58516 303 7 2 5       6 1 6        C-13-H3C-13-H2C-13-N
  133552.1682  0.0012 -3.2320 3   34.2813 33  58516 30316 116      15 115        C-13-H3C-13-H2C-13-N
  133590.9719  0.0056 -6.4356 3  389.7943103  58516 30351 348      50 545        C-13-H3C-13-H2C-13-N
  133798.8117  0.0042 -4.6785 3   77.6017 47  58516 30323 222      23 123        C-13-H3C-13-H2C-13-N
  133854.1104  0.0024 -4.5871 3   52.1012 39  58516 30319 118      18 217        C-13-H3C-13-H2C-13-N
  133854.2286  0.0039 -6.4889 3  148.6121 61  58516 30330 526      31 229        C-13-H3C-13-H2C-13-N
  133863.3554  0.0054 -5.3406 3  153.4778 65  58516 30332 230      32 231        C-13-H3C-13-H2C-13-N
  134113.5844  0.0053 -6.3843 3  375.0751101  58516 30350 347      49 544        C-13-H3C-13-H2C-13-N
  134147.1651  0.0024 -5.4740 3  537.8460117  58516 30358 850      57 949        C-13-H3C-13-H2C-13-N
  134245.8704  0.0027 -5.7879 3  656.5824117  58516 303581543      591446        C-13-H3C-13-H2C-13-N
  134245.8704  0.0027 -5.7879 3  656.5824117  58516 303581544      591445        C-13-H3C-13-H2C-13-N
  134280.4276  0.0022 -4.3574 3  116.9174 55  58516 30327 423      27 324        C-13-H3C-13-H2C-13-N
  134288.4130  0.0026 -5.2322 3   76.1987 35  58516 30317 711      18 612        C-13-H3C-13-H2C-13-N
  134288.4962  0.0026 -5.2322 3   76.1987 35  58516 30317 710      18 613        C-13-H3C-13-H2C-13-N
  134491.8911  0.0012 -3.2250 3   34.0871 33  58516 30316 016      15 015        C-13-H3C-13-H2C-13-N
  134496.1965  0.0195 -6.9231 3  500.2487117  58516 30358 455      59 158        C-13-H3C-13-H2C-13-N
  134570.1697  0.0083 -6.9623 3  607.8834125  58516 30362 855      63 558        C-13-H3C-13-H2C-13-N
  134689.4236  0.0069 -5.8589 3  435.7588109  58516 30354 451      53 548        C-13-H3C-13-H2C-13-N
  134829.2476  0.0453 -6.9295 3 1180.3957177  58516 30388 880      88 881        C-13-H3C-13-H2C-13-N
  134869.1170  0.0025 -4.4480 3   88.8945 49  58516 30324 322      24 223        C-13-H3C-13-H2C-13-N
  134993.3618  0.0040 -5.4702 3   77.5618 47  58516 30323 222      23 023        C-13-H3C-13-H2C-13-N
  135152.4559  0.0040 -6.0897 3  886.5599149  58516 303741164      731261        C-13-H3C-13-H2C-13-N
  135174.8698  0.0040 -6.0896 3  886.5598149  58516 303741163      731262        C-13-H3C-13-H2C-13-N
  135187.6902  0.0043 -5.3693 3  242.6663 81  58516 30340 337      40 338        C-13-H3C-13-H2C-13-N
  135226.8775  0.0033 -5.1052 3  244.6674 81  58516 30340 437      39 534        C-13-H3C-13-H2C-13-N
  135254.8073  0.0024 -5.3152 3  445.9153107  58516 30353 747      52 844        C-13-H3C-13-H2C-13-N
  135393.3389  0.0025 -5.1566 3  116.1986 45  58516 30322 815      23 716        C-13-H3C-13-H2C-13-N
  135393.3682  0.0025 -5.1566 3  116.1986 45  58516 30322 814      23 717        C-13-H3C-13-H2C-13-N
  135454.4375  0.0032 -5.9720 3  767.4584127  58516 303631647      641550        C-13-H3C-13-H2C-13-N
  135454.4375  0.0032 -5.9720 3  767.4584127  58516 303631648      641549        C-13-H3C-13-H2C-13-N
  135515.4893  0.0208 -6.9590 3  516.8856119  58516 30359 356      60 259        C-13-H3C-13-H2C-13-N
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  135709.1622  0.0080 -6.9091 3 1321.5884181  58516 303901476      891575        C-13-H3C-13-H2C-13-N
  135890.6342  0.0229 -6.8974 3  299.3349 91  58516 30345 343      46 046        C-13-H3C-13-H2C-13-N
  135900.4689  0.0024 -5.1840 3  362.6517 97  58516 30348 643      47 740        C-13-H3C-13-H2C-13-N
  135937.3863  0.0043 -7.0765 3  426.3336103  58516 30351 843      52 646        C-13-H3C-13-H2C-13-N
  136454.6198  0.0012 -4.8376 3   11.3984 19  58516 303 9 2 8       8 1 7        C-13-H3C-13-H2C-13-N
  136458.5963  0.0023 -5.1382 3  164.9019 55  58516 30327 919      28 820        C-13-H3C-13-H2C-13-N
  136458.6056  0.0023 -5.1382 3  164.9019 55  58516 30327 918      28 821        C-13-H3C-13-H2C-13-N
  136553.4459  0.0043 -6.4494 3  426.3336107  58516 30353 449      52 646        C-13-H3C-13-H2C-13-N
  136574.0341  0.0035 -6.8290 3  194.2420 69  58516 30334 629      35 432        C-13-H3C-13-H2C-13-N
  136721.5943  0.0039 -6.1770 3  886.9708137  58516 303681751      691654        C-13-H3C-13-H2C-13-N
  136721.5943  0.0039 -6.1770 3  886.9708137  58516 303681752      691653        C-13-H3C-13-H2C-13-N
  136792.8578  0.0053 -5.7249 3  513.7031117  58516 30358 553      58 554        C-13-H3C-13-H2C-13-N
  136909.6363  0.0038 -6.8512 3  174.8418 65  58516 30332 626      33 429        C-13-H3C-13-H2C-13-N
  136915.4372  0.0245 -6.9269 3  312.2358 93  58516 30346 244      47 147        C-13-H3C-13-H2C-13-N
  137149.2895  0.0022 -4.3490 3  108.9665 53  58516 30326 422      26 323        C-13-H3C-13-H2C-13-N
  137486.9930  0.0012 -3.2188 3   37.4953 33  58516 30316 215      15 214        C-13-H3C-13-H2C-13-N
  137501.9124  0.0021 -5.1614 3  222.3041 65  58516 303321023      33 924        C-13-H3C-13-H2C-13-N
  137501.9151  0.0021 -5.1614 3  222.3041 65  58516 303321022      33 925        C-13-H3C-13-H2C-13-N
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  137738.0165  0.0014 -4.9272 3    3.8495  7  58516 303 3 3 1       2 2 0        C-13-H3C-13-H2C-13-N
  137745.5568  0.0014 -4.9271 3    3.8492  7  58516 303 3 3 0       2 2 1        C-13-H3C-13-H2C-13-N
  137780.7868  0.0032 -5.8541 3  767.2823139  58516 303691060      681157        C-13-H3C-13-H2C-13-N
  137865.1022  0.0032 -5.8536 3  767.2821139  58516 303691059      681158        C-13-H3C-13-H2C-13-N
  137879.1133  0.0049 -4.4754 3  153.3439 65  58516 30332 230      32 131        C-13-H3C-13-H2C-13-N
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  138054.4249  0.0048 -6.4024 3 1015.1072147  58516 303731855      741758        C-13-H3C-13-H2C-13-N
  138054.4249  0.0048 -6.4024 3 1015.1072147  58516 303731856      741757        C-13-H3C-13-H2C-13-N
  138125.8834  0.0027 -4.4317 3   96.0019 51  58516 30325 323      25 224        C-13-H3C-13-H2C-13-N
  138129.4704  0.0037 -4.4313 3  230.8239 79  58516 30339 336      39 237        C-13-H3C-13-H2C-13-N
  138477.9402  0.0012 -3.4237 3   82.3141 33  58516 30316 8 8      15 8 7        C-13-H3C-13-H2C-13-N
  138477.9402  0.0012 -3.4237 3   82.3141 33  58516 30316 8 9      15 8 8        C-13-H3C-13-H2C-13-N
  138481.2785  0.0012 -3.3677 3   71.1506 33  58516 30316 710      15 7 9        C-13-H3C-13-H2C-13-N
  138481.2786  0.0012 -3.3677 3   71.1506 33  58516 30316 7 9      15 7 8        C-13-H3C-13-H2C-13-N
  138485.5577  0.0012 -3.4902 3   94.9579 33  58516 30316 9 7      15 9 6        C-13-H3C-13-H2C-13-N
  138485.5577  0.0012 -3.4902 3   94.9579 33  58516 30316 9 8      15 9 7        C-13-H3C-13-H2C-13-N
  138500.9992  0.0012 -3.5695 3  109.0781 33  58516 3031610 6      1510 5        C-13-H3C-13-H2C-13-N
  138500.9992  0.0012 -3.5695 3  109.0781 33  58516 3031610 7      1510 6        C-13-H3C-13-H2C-13-N
  138501.6559  0.0012 -3.3210 3   61.4713 33  58516 30316 611      15 610        C-13-H3C-13-H2C-13-N
  138501.6668  0.0012 -3.3210 3   61.4713 33  58516 30316 610      15 6 9        C-13-H3C-13-H2C-13-N
  138522.5114  0.0012 -3.6646 3  124.6706 33  58516 3031611 5      1511 4        C-13-H3C-13-H2C-13-N
  138522.5114  0.0012 -3.6646 3  124.6706 33  58516 3031611 6      1511 5        C-13-H3C-13-H2C-13-N
  138538.4388  0.0020 -5.2181 3  288.3996 75  58516 303371127      381028        C-13-H3C-13-H2C-13-N
  138538.4396  0.0020 -5.2181 3  288.3996 75  58516 303371126      381029        C-13-H3C-13-H2C-13-N
  138549.0461  0.0012 -3.7811 3  141.7310 33  58516 3031612 4      1512 3        C-13-H3C-13-H2C-13-N
  138549.0461  0.0012 -3.7811 3  141.7310 33  58516 3031612 5      1512 4        C-13-H3C-13-H2C-13-N
  138552.0004  0.0012 -3.2824 3   53.2803 33  58516 30316 512      15 511        C-13-H3C-13-H2C-13-N
  138552.7407  0.0012 -3.2824 3   53.2804 33  58516 30316 511      15 510        C-13-H3C-13-H2C-13-N
  138579.9421  0.0013 -3.9292 3  160.2544 33  58516 3031613 3      1513 2        C-13-H3C-13-H2C-13-N
  138579.9421  0.0013 -3.9292 3  160.2544 33  58516 3031613 4      1513 3        C-13-H3C-13-H2C-13-N
  138614.7625  0.0013 -4.1319 3  180.2358 33  58516 3031614 2      1514 1        C-13-H3C-13-H2C-13-N
  138614.7625  0.0013 -4.1319 3  180.2358 33  58516 3031614 3      1514 2        C-13-H3C-13-H2C-13-N
  138651.1977  0.0064 -6.6094 3 1175.1061171  58516 303851373      841470        C-13-H3C-13-H2C-13-N
  138653.0805  0.0012 -3.2513 3   46.5834 33  58516 30316 413      15 412        C-13-H3C-13-H2C-13-N
  138653.0867  0.0064 -6.6094 3 1175.1061171  58516 303851372      841471        C-13-H3C-13-H2C-13-N
  138653.2069  0.0014 -4.4631 3  201.6697 33  58516 3031615 1      1515 0        C-13-H3C-13-H2C-13-N
  138653.2069  0.0014 -4.4631 3  201.6697 33  58516 3031615 2      1515 1        C-13-H3C-13-H2C-13-N
  138671.3374  0.0012 -3.2279 3   41.3758 33  58516 30316 314      15 313        C-13-H3C-13-H2C-13-N
  138682.7763  0.0012 -3.2511 3   46.5849 33  58516 30316 412      15 411        C-13-H3C-13-H2C-13-N
  138683.9291  0.0031 -4.4698 3  323.3871 93  58516 30346 442      46 343        C-13-H3C-13-H2C-13-N
  138979.6704  0.0058 -6.6631 3  415.3606103  58516 30351 745      52 448        C-13-H3C-13-H2C-13-N
  138995.4069  0.0045 -5.4938 3  365.7886 99  58516 30349 445      49 446        C-13-H3C-13-H2C-13-N
  139094.1841  0.0034 -4.7282 3   86.4632 49  58516 30324 222      23 321        C-13-H3C-13-H2C-13-N
  139160.0400  0.0058 -5.4438 3   98.3591 53  58516 30326 125      26 126        C-13-H3C-13-H2C-13-N
  139261.1691  0.0012 -3.2243 3   41.4199 33  58516 30316 313      15 312        C-13-H3C-13-H2C-13-N
  139300.3654  0.0044 -4.6546 3   84.2480 49  58516 30324 223      24 124        C-13-H3C-13-H2C-13-N
  139373.6140  0.0015 -4.2977 3   34.0871 33  58516 30316 116      15 015        C-13-H3C-13-H2C-13-N
  139388.0930  0.0205 -6.9356 3  516.8853119  58516 30359 456      60 159        C-13-H3C-13-H2C-13-N
  139405.8635  0.0020 -4.4893 3  370.4250 99  58516 30349 544      49 445        C-13-H3C-13-H2C-13-N
  139459.4271  0.0061 -6.6477 3 1151.8544157  58516 303781959      791862        C-13-H3C-13-H2C-13-N
  139459.4271  0.0061 -6.6477 3 1151.8544157  58516 303781960      791861        C-13-H3C-13-H2C-13-N
  139569.4651  0.0019 -4.4709 3  356.0040 97  58516 30348 543      48 444        C-13-H3C-13-H2C-13-N
  139581.3401  0.0021 -5.3038 3  363.1817 85  58516 303421231      431132        C-13-H3C-13-H2C-13-N
  139581.3403  0.0021 -5.3038 3  363.1817 85  58516 303421230      431133        C-13-H3C-13-H2C-13-N
  139612.7922  0.0038 -6.8924 3  305.2786 87  58516 30343 737      44 540        C-13-H3C-13-H2C-13-N
  139773.9265  0.0057 -4.6680 3   98.3386 53  58516 30326 125      26 026        C-13-H3C-13-H2C-13-N
  139875.3488  0.0022 -4.3421 3  101.3180 51  58516 30325 421      25 322        C-13-H3C-13-H2C-13-N
  139940.3935  0.0022 -4.5061 3  385.1264101  58516 30350 545      50 446        C-13-H3C-13-H2C-13-N
  140080.0966  0.0237 -6.4323 3  928.2053157  58516 30378 771      78 772        C-13-H3C-13-H2C-13-N
  140107.8169  0.0066 -5.7567 3  420.1380107  58516 30353 450      52 547        C-13-H3C-13-H2C-13-N
  140260.0840  0.0043 -5.4406 3   84.2160 49  58516 30324 223      24 024        C-13-H3C-13-H2C-13-N
  140282.8800  0.0035 -5.1059 3  256.3365 83  58516 30341 438      40 535        C-13-H3C-13-H2C-13-N
  140348.9471  0.0027 -5.6397 3  656.6298129  58516 30364 956      631053        C-13-H3C-13-H2C-13-N
  140390.4570  0.0019 -4.4510 3  341.8659 95  58516 30347 542      47 443        C-13-H3C-13-H2C-13-N
  140491.2998  0.0012 -3.1926 3   36.1238 33  58516 30316 115      15 114        C-13-H3C-13-H2C-13-N
  140511.8890  0.0137 -6.4774 3  730.9031141  58516 30370 566      69 663        C-13-H3C-13-H2C-13-N
  140539.5712  0.0022 -6.0050 3   20.0116 13  58516 303 6 5 2       7 4 3        C-13-H3C-13-H2C-13-N
  140539.6709  0.0022 -6.0050 3   20.0116 13  58516 303 6 5 1       7 4 4        C-13-H3C-13-H2C-13-N
  140642.2563  0.0022 -5.4156 3  446.6427 95  58516 303471335      481236        C-13-H3C-13-H2C-13-N
  140642.2564  0.0022 -5.4156 3  446.6427 95  58516 303471334      481237        C-13-H3C-13-H2C-13-N
  140652.8012  0.0027 -5.6377 3  656.6293129  58516 30364 955      631054        C-13-H3C-13-H2C-13-N
  140654.7152  0.0244 -6.9049 3  312.2357 93  58516 30346 344      47 047        C-13-H3C-13-H2C-13-N
  140723.4471  0.0094 -6.0298 3  705.9166137  58516 30368 662      68 663        C-13-H3C-13-H2C-13-N
  140942.5342  0.0080 -6.9126 3 1297.1981167  58516 303832063      841966        C-13-H3C-13-H2C-13-N
  140942.5342  0.0080 -6.9126 3 1297.1981167  58516 303832064      841965        C-13-H3C-13-H2C-13-N
  140984.4139  0.0034 -6.8758 3  100.6093 49  58516 30324 520      25 323        C-13-H3C-13-H2C-13-N
  141075.4430  0.0218 -6.9682 3  533.7922121  58516 30360 357      61 260        C-13-H3C-13-H2C-13-N
  141204.9547  0.0023 -4.5211 3  400.1057103  58516 30351 546      51 447        C-13-H3C-13-H2C-13-N
  141248.8452  0.0012 -3.1960 3   38.0077 33  58516 30316 214      15 213        C-13-H3C-13-H2C-13-N
  141433.4809  0.0025 -5.0753 3  300.5609 89  58516 30344 540      43 637        C-13-H3C-13-H2C-13-N
  141476.5922  0.0060 -6.7331 3  566.4848123  58516 30361 556      60 753        C-13-H3C-13-H2C-13-N
  141508.2001  0.0052 -6.3300 3 1037.2028161  58516 303801269      791366        C-13-H3C-13-H2C-13-N
  141515.7987  0.0052 -6.3300 3 1037.2028161  58516 303801268      791367        C-13-H3C-13-H2C-13-N
  141630.5878  0.0028 -4.4162 3  103.3862 53  58516 30326 324      26 225        C-13-H3C-13-H2C-13-N
  141731.6338  0.0024 -5.5516 3  538.7741105  58516 303521438      531341        C-13-H3C-13-H2C-13-N
  141731.6338  0.0024 -5.5516 3  538.7741105  58516 303521439      531340        C-13-H3C-13-H2C-13-N
  141796.5890  0.0012 -3.1631 3   38.7361 35  58516 30317 117      16 116        C-13-H3C-13-H2C-13-N
  141807.2690  0.0025 -5.4314 3   41.1519 23  58516 30311 6 6      12 5 7        C-13-H3C-13-H2C-13-N
  141807.3559  0.0025 -5.4314 3   41.1519 23  58516 30311 6 5      12 5 8        C-13-H3C-13-H2C-13-N
  141819.3037  0.0018 -4.4298 3  328.0131 93  58516 30346 541      46 442        C-13-H3C-13-H2C-13-N
  142026.1896  0.0025 -5.0187 3  275.8471 85  58516 30342 537      41 636        C-13-H3C-13-H2C-13-N
  142062.8063  0.0012 -6.7409 3    4.3170 13  58516 303 6 2 4       5 0 5        C-13-H3C-13-H2C-13-N
  142356.9169  0.0261 -6.9312 3  325.4077 95  58516 30347 245      48 148        C-13-H3C-13-H2C-13-N
  142412.8391  0.0021 -4.3371 3   93.9723 49  58516 30324 420      24 321        C-13-H3C-13-H2C-13-N
  142461.6073  0.0037 -6.8786 3  280.5846 83  58516 30341 734      42 537        C-13-H3C-13-H2C-13-N
  142616.0815  0.0013 -3.1573 3   38.5733 35  58516 30317 017      16 016        C-13-H3C-13-H2C-13-N
  142708.5014  0.0052 -5.3052 3  162.7866 67  58516 30333 231      33 232        C-13-H3C-13-H2C-13-N
  142765.0013  0.0025 -5.4475 3  554.6157119  58516 30359 852      58 949        C-13-H3C-13-H2C-13-N
  142771.2454  0.0042 -7.0464 3  441.1479105  58516 30352 845      53 648        C-13-H3C-13-H2C-13-N
  142788.0169  0.0035 -6.7712 3   56.5661 37  58516 30318 415      19 118        C-13-H3C-13-H2C-13-N
  142858.9518  0.0026 -5.7106 3  639.5662115  58516 303571542      581445        C-13-H3C-13-H2C-13-N
  142858.9518  0.0026 -5.7106 3  639.5662115  58516 303571543      581444        C-13-H3C-13-H2C-13-N
  142945.3569  0.0046 -6.4928 3  259.1970 81  58516 30340 635      41 338        C-13-H3C-13-H2C-13-N
  142987.7037  0.0026 -5.2210 3   71.0003 33  58516 30316 710      17 611        C-13-H3C-13-H2C-13-N
  142987.7454  0.0026 -5.2210 3   71.0003 33  58516 30316 7 9      17 612        C-13-H3C-13-H2C-13-N
  143022.9215  0.0014 -4.7606 3   14.0566 21  58516 30310 2 9       9 1 8        C-13-H3C-13-H2C-13-N
  143039.0102  0.0029 -4.9129 3  200.8932 73  58516 30336 432      35 531        C-13-H3C-13-H2C-13-N
  143222.5540  0.0025 -4.5345 3  415.3606105  58516 30352 547      52 448        C-13-H3C-13-H2C-13-N
  143585.7796  0.0039 -6.9278 3   86.9296 45  58516 30322 517      23 320        C-13-H3C-13-H2C-13-N
  143797.0885  0.0024 -5.1316 3  362.6342 97  58516 30348 642      47 741        C-13-H3C-13-H2C-13-N
  143797.8800  0.0018 -4.4076 3  314.4482 91  58516 30345 540      45 441        C-13-H3C-13-H2C-13-N
  143805.6109  0.0025 -5.4410 3  554.6138119  58516 30359 851      58 950        C-13-H3C-13-H2C-13-N
  144032.8768  0.0031 -5.8913 3  749.0086125  58516 303621646      631549        C-13-H3C-13-H2C-13-N
  144032.8768  0.0031 -5.8913 3  749.0086125  58516 303621647      631548        C-13-H3C-13-H2C-13-N
  144069.7386  0.0036 -4.8117 3  137.7700 61  58516 30330 327      29 426        C-13-H3C-13-H2C-13-N
  144101.7995  0.0025 -5.1270 3  109.5555 43  58516 30321 814      22 715        C-13-H3C-13-H2C-13-N
  144101.8152  0.0025 -5.1270 3  109.5555 43  58516 30321 813      22 716        C-13-H3C-13-H2C-13-N
  144299.3478  0.0042 -6.0710 3  907.8937151  58516 303751165      741262        C-13-H3C-13-H2C-13-N
  144302.2058  0.0216 -6.9494 3  533.7920121  58516 30360 457      61 160        C-13-H3C-13-H2C-13-N
  144328.8574  0.0042 -6.0708 3  907.8936151  58516 303751164      741263        C-13-H3C-13-H2C-13-N
  144407.8756  0.0015 -4.9683 3    8.5937 17  58516 303 8 2 6       7 1 7        C-13-H3C-13-H2C-13-N
  144565.5533  0.0084 -6.9027 3 1347.4574183  58516 303911478      901575        C-13-H3C-13-H2C-13-N
  144566.1580  0.0084 -6.9027 3 1347.4574183  58516 303911477      901576        C-13-H3C-13-H2C-13-N
  144666.4790  0.0024 -5.2811 3  461.2538109  58516 30354 748      53 845        C-13-H3C-13-H2C-13-N
  144698.8597  0.0037 -5.1152 3  268.3085 85  58516 30342 439      41 536        C-13-H3C-13-H2C-13-N
  144728.1773  0.0020 -4.3343 3   86.9296 47  58516 30323 419      23 320        C-13-H3C-13-H2C-13-N
  144762.0565  0.0063 -5.6611 3  404.8158105  58516 30352 449      51 546        C-13-H3C-13-H2C-13-N
  144865.8517  0.0040 -6.4945 3  139.5559 59  58516 30329 525      30 228        C-13-H3C-13-H2C-13-N
  144941.1500  0.0046 -4.6323 3   91.1672 51  58516 30325 224      25 125        C-13-H3C-13-H2C-13-N
  144979.1681  0.0033 -4.4642 3  337.0299 95  58516 30347 443      47 344        C-13-H3C-13-H2C-13-N
  145014.8055  0.0024 -5.1494 3  376.5605 99  58516 30349 644      48 741        C-13-H3C-13-H2C-13-N
  145041.3977  0.0042 -5.3368 3  254.3589 83  58516 30341 338      41 339        C-13-H3C-13-H2C-13-N
  145169.8998  0.0023 -5.0973 3  156.8145 53  58516 30326 918      27 819        C-13-H3C-13-H2C-13-N
  145169.9050  0.0023 -5.0973 3  156.8145 53  58516 30326 917      27 820        C-13-H3C-13-H2C-13-N
  145218.2545  0.0023 -4.4813 3   57.5336 41  58516 30320 119      19 218        C-13-H3C-13-H2C-13-N
  145261.3653  0.0038 -6.0932 3  867.0898135  58516 303671750      681653        C-13-H3C-13-H2C-13-N
  145261.3653  0.0038 -6.0932 3  867.0898135  58516 303671751      681652        C-13-H3C-13-H2C-13-N
  145268.1216  0.0034 -6.7950 3  184.1107 67  58516 30333 628      34 431        C-13-H3C-13-H2C-13-N
  145379.8372  0.0029 -4.4015 3  111.0468 55  58516 30327 325      27 226        C-13-H3C-13-H2C-13-N
  145452.5179  0.0259 -6.9135 3  325.4076 95  58516 30347 345      48 048        C-13-H3C-13-H2C-13-N
  145709.7981  0.0045 -5.4134 3   91.1415 51  58516 30325 224      25 025        C-13-H3C-13-H2C-13-N
  145949.3887  0.0045 -6.3961 3  441.8190109  58516 30354 450      53 647        C-13-H3C-13-H2C-13-N
  145964.1825  0.0012 -3.1496 3   42.0814 35  58516 30317 216      16 215        C-13-H3C-13-H2C-13-N
  146003.5381  0.0036 -4.4136 3  242.3055 81  58516 30340 337      40 238        C-13-H3C-13-H2C-13-N
  146007.1290  0.0027 -4.5462 3  430.8885107  58516 30353 548      53 449        C-13-H3C-13-H2C-13-N
  146020.5532  0.0049 -4.4493 3  162.6761 67  58516 30333 231      33 132        C-13-H3C-13-H2C-13-N
  146209.8662  0.0021 -5.1123 3  212.7731 63  58516 303311022      32 923        C-13-H3C-13-H2C-13-N
  146209.8678  0.0021 -5.1123 3  212.7731 63  58516 303311021      32 924        C-13-H3C-13-H2C-13-N
  146259.9988  0.0018 -4.3846 3  301.1734 89  58516 30344 539      44 440        C-13-H3C-13-H2C-13-N
  146370.3141  0.0014 -4.8576 3    4.7157  9  58516 303 4 3 2       3 2 1        C-13-H3C-13-H2C-13-N
  146408.1475  0.0014 -4.8574 3    4.7144  9  58516 303 4 3 1       3 2 2        C-13-H3C-13-H2C-13-N
  146549.6503  0.0229 -6.9796 3  550.9690123  58516 30361 358      62 261        C-13-H3C-13-H2C-13-N
  146551.7311  0.0047 -6.3157 3  993.7976145  58516 303721854      731757        C-13-H3C-13-H2C-13-N
  146551.7311  0.0047 -6.3157 3  993.7976145  58516 303721855      731756        C-13-H3C-13-H2C-13-N
  146673.0613  0.0013 -4.2080 3   43.4660 37  58516 30318 018      17 117        C-13-H3C-13-H2C-13-N
  146678.3118  0.0015 -4.2278 3   38.5733 35  58516 30317 117      16 016        C-13-H3C-13-H2C-13-N
  146764.7426  0.0059 -5.4115 3  105.8236 55  58516 30327 126      27 127        C-13-H3C-13-H2C-13-N
  146800.3176  0.0019 -4.3338 3   80.1897 45  58516 30322 418      22 319        C-13-H3C-13-H2C-13-N
  147041.3394  0.0034 -5.8325 3  787.1932141  58516 303701061      691158        C-13-H3C-13-H2C-13-N
  147137.4101  0.0012 -3.3384 3   86.9332 35  58516 30317 8 9      16 8 8        C-13-H3C-13-H2C-13-N
  147137.4101  0.0012 -3.3384 3   86.9332 35  58516 30317 810      16 8 9        C-13-H3C-13-H2C-13-N
  147143.1641  0.0012 -3.3988 3   99.5773 35  58516 30317 9 8      16 9 7        C-13-H3C-13-H2C-13-N
  147143.1641  0.0012 -3.3988 3   99.5773 35  58516 30317 9 9      16 9 8        C-13-H3C-13-H2C-13-N
  147144.4010  0.0012 -3.2870 3   75.7699 35  58516 30317 711      16 710        C-13-H3C-13-H2C-13-N
  147144.4013  0.0012 -3.2870 3   75.7699 35  58516 30317 710      16 7 9        C-13-H3C-13-H2C-13-N
  147151.5570  0.0034 -5.8318 3  787.1931141  58516 303701060      691159        C-13-H3C-13-H2C-13-N
  147157.9063  0.0012 -3.4697 3  113.6980 35  58516 3031710 7      1610 6        C-13-H3C-13-H2C-13-N
  147157.9063  0.0012 -3.4697 3  113.6980 35  58516 3031710 8      1610 7        C-13-H3C-13-H2C-13-N
  147171.4378  0.0012 -3.2438 3   66.0912 35  58516 30317 612      16 611        C-13-H3C-13-H2C-13-N
  147171.4594  0.0012 -3.2438 3   66.0912 35  58516 30317 611      16 610        C-13-H3C-13-H2C-13-N
  147179.5354  0.0013 -3.5532 3  129.2912 35  58516 3031711 6      1611 5        C-13-H3C-13-H2C-13-N
  147179.5354  0.0013 -3.5532 3  129.2912 35  58516 3031711 7      1611 6        C-13-H3C-13-H2C-13-N
  147206.7962  0.0013 -3.6525 3  146.3525 35  58516 3031712 5      1612 4        C-13-H3C-13-H2C-13-N
  147206.7962  0.0013 -3.6525 3  146.3525 35  58516 3031712 6      1612 5        C-13-H3C-13-H2C-13-N
  147233.8925  0.0012 -3.2079 3   57.9019 35  58516 30317 513      16 512        C-13-H3C-13-H2C-13-N
  147235.1836  0.0012 -3.2079 3   57.9020 35  58516 30317 512      16 511        C-13-H3C-13-H2C-13-N
  147237.1682  0.0020 -5.1627 3  277.4260 73  58516 303361126      371027        C-13-H3C-13-H2C-13-N
  147237.1686  0.0020 -5.1627 3  277.4260 73  58516 303361125      371028        C-13-H3C-13-H2C-13-N
  147238.8976  0.0013 -3.7731 3  164.8769 35  58516 3031713 4      1613 3        C-13-H3C-13-H2C-13-N
  147238.8976  0.0013 -3.7731 3  164.8769 35  58516 3031713 5      1613 4        C-13-H3C-13-H2C-13-N
  147250.0277  0.0484 -6.9199 3 1206.0597179  58516 30389 881      89 882        C-13-H3C-13-H2C-13-N
  147253.7794  0.0058 -4.6392 3  105.8073 55  58516 30327 126      27 027        C-13-H3C-13-H2C-13-N
  147275.3178  0.0014 -3.9252 3  184.8595 35  58516 3031714 3      1614 2        C-13-H3C-13-H2C-13-N
  147275.3178  0.0014 -3.9252 3  184.8595 35  58516 3031714 4      1614 3        C-13-H3C-13-H2C-13-N
  147315.6987  0.0014 -4.1319 3  206.2947 35  58516 3031715 2      1615 1        C-13-H3C-13-H2C-13-N
  147315.6987  0.0014 -4.1319 3  206.2947 35  58516 3031715 3      1615 2        C-13-H3C-13-H2C-13-N
  147343.2604  0.0012 -3.1570 3   46.0014 35  58516 30317 315      16 314        C-13-H3C-13-H2C-13-N
  147352.8051  0.0012 -3.1787 3   51.2083 35  58516 30317 414      16 413        C-13-H3C-13-H2C-13-N
  147359.7853  0.0014 -4.4670 3  229.1767 35  58516 3031716 1      1616 0        C-13-H3C-13-H2C-13-N
  147359.7853  0.0014 -4.4670 3  229.1767 35  58516 3031716 2      1616 1        C-13-H3C-13-H2C-13-N
  147398.2042  0.0012 -3.1785 3   51.2108 35  58516 30317 413      16 412        C-13-H3C-13-H2C-13-N
  147607.0698  0.0067 -6.6004 3 1199.5622173  58516 303861374      851471        C-13-H3C-13-H2C-13-N
  147609.5728  0.0067 -6.6003 3 1199.5622173  58516 303861373      851472        C-13-H3C-13-H2C-13-N
  147721.2009  0.0276 -6.9374 3  338.8507 97  58516 30348 246      49 149        C-13-H3C-13-H2C-13-N
  147910.6880  0.0058 -6.5581 3 1129.1188155  58516 303771958      781861        C-13-H3C-13-H2C-13-N
  147910.6880  0.0058 -6.5581 3 1129.1188155  58516 303771959      781860        C-13-H3C-13-H2C-13-N
  148008.9226  0.0025 -5.2603 3  461.2471109  58516 30354 747      53 846        C-13-H3C-13-H2C-13-N
  148128.4717  0.0012 -3.1525 3   46.0651 35  58516 30317 314      16 313        C-13-H3C-13-H2C-13-N
  148141.5026  0.0054 -5.7008 3  530.6895119  58516 30359 554      59 555        C-13-H3C-13-H2C-13-N
  148265.3262  0.0021 -5.2431 3  350.7668 83  58516 303411230      421131        C-13-H3C-13-H2C-13-N
  148265.3263  0.0021 -5.2431 3  350.7668 83  58516 303411229      421132        C-13-H3C-13-H2C-13-N
  148419.2695  0.0040 -5.1330 3  280.5846 87  58516 30343 440      42 537        C-13-H3C-13-H2C-13-N
  148610.7880  0.0061 -5.5722 3  389.7943103  58516 30351 448      50 545        C-13-H3C-13-H2C-13-N
  148620.2605  0.0018 -4.3358 3   73.7521 43  58516 30321 417      21 318        C-13-H3C-13-H2C-13-N
  148655.8148  0.0042 -6.9972 3  411.1531101  58516 30350 842      51 645        C-13-H3C-13-H2C-13-N
  148883.4454  0.0037 -6.8427 3  292.5229 85  58516 30342 736      43 539        C-13-H3C-13-H2C-13-N
  149007.4805  0.0012 -3.1251 3   40.8101 35  58516 30317 116      16 115        C-13-H3C-13-H2C-13-N
  149037.2706  0.0037 -6.8062 3  165.1773 63  58516 30331 625      32 428        C-13-H3C-13-H2C-13-N
  149132.3851  0.0018 -4.3610 3  288.1910 87  58516 30343 538      43 439        C-13-H3C-13-H2C-13-N
  149187.2105  0.0034 -6.8696 3   93.3933 47  58516 30323 519      24 322        C-13-H3C-13-H2C-13-N
  149198.8461  0.0022 -6.3591 3   17.9914 11  58516 303 5 5 1       6 4 2        C-13-H3C-13-H2C-13-N
  149198.8734  0.0022 -6.3591 3   17.9914 11  58516 303 5 5 0       6 4 3        C-13-H3C-13-H2C-13-N
  149232.5724  0.0227 -6.9645 3  550.9688123  58516 30361 458      62 161        C-13-H3C-13-H2C-13-N
  149306.3244  0.0022 -5.3503 3  432.7880 93  58516 303461333      471236        C-13-H3C-13-H2C-13-N
  149306.3244  0.0022 -5.3503 3  432.7880 93  58516 303461334      471235        C-13-H3C-13-H2C-13-N
  149344.3750  0.0076 -6.8203 3 1273.0395165  58516 303822062      831965        C-13-H3C-13-H2C-13-N
  149344.3750  0.0076 -6.8203 3 1273.0395165  58516 303822063      831964        C-13-H3C-13-H2C-13-N
  149368.4292  0.0030 -4.3877 3  118.9833 57  58516 30328 326      28 227        C-13-H3C-13-H2C-13-N
  149369.0500  0.0027 -5.0511 3  313.3395 91  58516 30345 541      44 638        C-13-H3C-13-H2C-13-N
  149384.6768  0.0015 -4.6882 3   17.0078 23  58516 30311 210      10 1 9        C-13-H3C-13-H2C-13-N
  149563.1966  0.0029 -4.5564 3  446.6874109  58516 30354 549      54 450        C-13-H3C-13-H2C-13-N
  149620.0406  0.0015 -5.5137 3   74.8287 45  58516 30322 320      22 121        C-13-H3C-13-H2C-13-N
  149711.3040  0.0046 -5.4660 3  380.1326101  58516 30350 446      50 447        C-13-H3C-13-H2C-13-N
  149722.3464  0.0028 -5.6151 3  675.1155131  58516 30365 957      641054        C-13-H3C-13-H2C-13-N
  149733.9669  0.0124 -6.3514 3  710.6107139  58516 30369 565      68 662        C-13-H3C-13-H2C-13-N
  149811.3339  0.0015 -5.5653 3   68.4657 43  58516 30321 319      21 120        C-13-H3C-13-H2C-13-N
  149841.3229  0.0015 -5.4664 3   81.4650 47  58516 30323 321      23 122        C-13-H3C-13-H2C-13-N
  150030.0911  0.0013 -3.0992 3   43.4660 37  58516 30318 118      17 117        C-13-H3C-13-H2C-13-N
  150116.0334  0.0028 -5.6127 3  675.1148131  58516 30365 956      641055        C-13-H3C-13-H2C-13-N
  150187.1888  0.0081 -6.8892 3  589.4066123  58516 30361 854      62 557        C-13-H3C-13-H2C-13-N
  150189.8120  0.0500 -4.3406 3   67.6159 41 -58516 30320 416      20 317        C-13-H3C-13-H2C-13-N
  150222.3980  0.0013 -3.1255 3   42.7193 35  58516 30317 215      16 214        C-13-H3C-13-H2C-13-N
  150277.1852  0.0275 -6.9233 3  338.8507 97  58516 30348 346      49 049        C-13-H3C-13-H2C-13-N
  150370.9261  0.0024 -5.4822 3  523.4812103  58516 303511437      521340        C-13-H3C-13-H2C-13-N
  150370.9261  0.0024 -5.4822 3  523.4812103  58516 303511438      521339        C-13-H3C-13-H2C-13-N
  150382.8271  0.0016 -5.6216 3   62.3776 41  58516 30320 318      20 119        C-13-H3C-13-H2C-13-N
  150483.1248  0.0025 -5.4808 3   37.6875 21  58516 30310 6 5      11 5 6        C-13-H3C-13-H2C-13-N
  150483.1606  0.0025 -5.4808 3   37.6875 21  58516 30310 6 4      11 5 7        C-13-H3C-13-H2C-13-N
  150499.4794  0.0015 -5.4233 3   88.3732 49  58516 30324 322      24 123        C-13-H3C-13-H2C-13-N
  150568.8635  0.0055 -6.3182 3 1060.2428163  58516 303811270      801367        C-13-H3C-13-H2C-13-N
  150578.8830  0.0055 -6.3181 3 1060.2427163  58516 303811269      801368        C-13-H3C-13-H2C-13-N
  150707.6875  0.0048 -4.6116 3   98.3591 53  58516 30326 225      26 126        C-13-H3C-13-H2C-13-N
  150735.2916  0.0013 -3.0946 3   43.3305 37  58516 30318 018      17 017        C-13-H3C-13-H2C-13-N
  150749.9432  0.0108 -7.0083 3  690.6047137  58516 30368 464      67 661        C-13-H3C-13-H2C-13-N
  151295.5541  0.0017 -5.6827 3   56.5661 39  58516 30319 317      19 118        C-13-H3C-13-H2C-13-N
  151321.5740  0.0047 -5.3884 3   98.3386 53  58516 30326 225      26 026        C-13-H3C-13-H2C-13-N
  151322.4488  0.0013 -6.5127 3    6.0386 15  58516 303 7 2 5       6 0 6        C-13-H3C-13-H2C-13-N
  151392.6586  0.0042 -5.1593 3  293.1655 89  58516 30344 441      43 538        C-13-H3C-13-H2C-13-N
  151468.9150  0.0500 -5.6374 3  622.8371113 -58516 303561541      571444        C-13-H3C-13-H2C-13-N
  151468.9150  0.0500 -5.6374 3  622.8371113 -58516 303561542      571443        C-13-H3C-13-H2C-13-N
  151488.8679  0.0051 -5.2730 3  172.3686 69  58516 30334 232      34 233        C-13-H3C-13-H2C-13-N
  151519.5850  0.0500 -4.3481 3   61.7804 39 -58516 30319 415      19 316        C-13-H3C-13-H2C-13-N
  151609.7881  0.0017 -5.3840 3   95.5521 51  58516 30325 323      25 124        C-13-H3C-13-H2C-13-N
  151620.3953  0.0058 -5.4902 3  375.0751101  58516 30350 447      49 544        C-13-H3C-13-H2C-13-N
  151677.9260  0.0500 -5.2201 3   66.0912 31 -58516 30315 7 9      16 610        C-13-H3C-13-H2C-13-N
  151677.9260  0.0500 -5.2201 3   66.0912 31 -58516 30315 7 8      16 611        C-13-H3C-13-H2C-13-N
  151871.5030  0.0500 -4.4583 3  350.9381 97 -58516 30348 444      48 345        C-13-H3C-13-H2C-13-N
  151947.7178  0.0241 -6.9930 3  568.4158125  58516 30362 359      63 262        C-13-H3C-13-H2C-13-N
  152120.5681  0.0034 -4.6269 3   93.3933 51  58516 30325 223      24 322        C-13-H3C-13-H2C-13-N
  152219.3000  0.0500 -5.4202 3  571.6741121 -58516 30360 853      59 950        C-13-H3C-13-H2C-13-N
  152336.1360  0.0300 -4.3371 3  275.5032 85 -58516 30342 537      42 438        C-13-H3C-13-H2C-13-N
  152411.9833  0.0256 -6.4188 3  950.9924159  58516 30379 772      79 773        C-13-H3C-13-H2C-13-N
  152505.7739  0.0018 -5.7490 3   51.0331 37  58516 30318 316      18 117        C-13-H3C-13-H2C-13-N
  152528.9701  0.0041 -6.9843 3  425.7764103  58516 30351 844      52 647        C-13-H3C-13-H2C-13-N
  152606.5437  0.0036 -6.8427 3   51.0331 35  58516 30317 414      18 117        C-13-H3C-13-H2C-13-N
  152609.1760  0.0030 -5.8147 3  730.8454123  58516 303611645      621548        C-13-H3C-13-H2C-13-N
  152609.1760  0.0030 -5.8147 3  730.8454123  58516 303611646      621547        C-13-H3C-13-H2C-13-N
  152626.9730  0.0500 -4.3586 3   56.2442 37 -58516 30318 414      18 315        C-13-H3C-13-H2C-13-N
  152677.4576  0.0102 -6.0114 3  725.8103139  58516 30369 663      69 664        C-13-H3C-13-H2C-13-N
  152801.2840  0.0500 -5.1045 3  103.2016 41 -58516 30320 813      21 714        C-13-H3C-13-H2C-13-N
  152801.2840  0.0500 -5.1045 3  103.2016 41 -58516 30320 812      21 715        C-13-H3C-13-H2C-13-N
  153017.4651  0.0293 -6.9455 3  352.5649 99  58516 30349 247      50 150        C-13-H3C-13-H2C-13-N
  153178.2353  0.0019 -5.3484 3  103.0010 53  58516 30326 324      26 125        C-13-H3C-13-H2C-13-N
  153277.3833  0.0058 -6.6144 3  400.1057101  58516 30350 744      51 447        C-13-H3C-13-H2C-13-N
  153435.6990  0.0088 -6.9001 3 1373.6104185  58516 303921479      911576        C-13-H3C-13-H2C-13-N
  153436.5004  0.0088 -6.9001 3 1373.6104185  58516 303921478      911577        C-13-H3C-13-H2C-13-N
  153472.1381  0.0045 -6.0563 3  929.5145153  58516 303761166      751263        C-13-H3C-13-H2C-13-N
  153510.8162  0.0044 -6.0561 3  929.5145153  58516 303761165      751264        C-13-H3C-13-H2C-13-N
  153533.7540  0.0500 -4.3721 3   51.0062 35 -58516 30317 413      17 314        C-13-H3C-13-H2C-13-N
  153552.4478  0.0025 -5.4123 3  571.6716121  58516 30360 852      59 951        C-13-H3C-13-H2C-13-N
  153573.5950  0.0500 -5.1941 3  306.0521 91 -58516 30345 442      44 539        C-13-H3C-13-H2C-13-N
  153589.4630  0.0031 -4.3747 3  127.1950 59  58516 30329 327      29 228        C-13-H3C-13-H2C-13-N
  153766.1047  0.0055 -5.4154 3  360.6595 99  58516 30349 446      48 543        C-13-H3C-13-H2C-13-N
  153799.9540  0.0500 -6.0133 3  847.4948133 -58516 303661749      671652        C-13-H3C-13-H2C-13-N
  153799.9540  0.0500 -6.0133 3  847.4948133 -58516 303661750      671651        C-13-H3C-13-H2C-13-N
  153872.7470  0.0300 -5.0621 3  149.0162 51 -58516 30325 917      26 818        C-13-H3C-13-H2C-13-N
  153872.7470  0.0300 -5.0621 3  149.0162 51 -58516 30325 916      26 819        C-13-H3C-13-H2C-13-N
  153885.3660  0.0300 -4.5651 3  462.7550111 -58516 30355 550      55 451        C-13-H3C-13-H2C-13-N
  153966.8648  0.0019 -5.8205 3   45.7805 35  58516 30317 315      17 116        C-13-H3C-13-H2C-13-N
  154046.3452  0.0025 -5.1201 3  390.7624101  58516 30350 645      49 742        C-13-H3C-13-H2C-13-N
  154077.5950  0.0300 -5.2517 3  476.8836111 -58516 30355 749      54 846        C-13-H3C-13-H2C-13-N
  154087.0699  0.0034 -6.7658 3  174.2663 65  58516 30332 627      33 430        C-13-H3C-13-H2C-13-N
  154092.3215  0.0015 -4.1624 3   43.3305 37  58516 30318 118      17 017        C-13-H3C-13-H2C-13-N
  154174.0590  0.0239 -6.9809 3  568.4156125  58516 30362 459      63 162        C-13-H3C-13-H2C-13-N
  154190.6963  0.0036 -4.3969 3  254.0538 83  58516 30341 338      41 239        C-13-H3C-13-H2C-13-N
  154210.5290  0.0300 -4.4255 3  172.2778 69 -58516 30334 232      34 133        C-13-H3C-13-H2C-13-N
  154236.6340  0.0500 -4.9626 3  288.0207 87 -58516 30343 538      42 637        C-13-H3C-13-H2C-13-N
  154239.8011  0.0046 -6.3585 3  457.6101111  58516 30355 451      54 648        C-13-H3C-13-H2C-13-N
  154264.0048  0.0016 -4.3887 3   46.0651 33  58516 30316 412      16 313        C-13-H3C-13-H2C-13-N
  154264.3188  0.0060 -5.3826 3  113.5606 57  58516 30328 127      28 128        C-13-H3C-13-H2C-13-N
  154422.1126  0.0012 -3.0856 3   46.9502 37  58516 30318 217      17 216        C-13-H3C-13-H2C-13-N
  154512.8978  0.0062 -6.6581 3  584.2527125  58516 30362 557      61 754        C-13-H3C-13-H2C-13-N
  154652.9700  0.0500 -4.6134 3  113.5477 57 -58516 30328 127      28 028        C-13-H3C-13-H2C-13-N
  154778.2331  0.0036 -6.8186 3  268.3085 81  58516 30340 733      41 536        C-13-H3C-13-H2C-13-N
  154842.4040  0.0300 -4.4086 3   41.4199 31 -58516 30315 411      15 312        C-13-H3C-13-H2C-13-N
  154851.3920  0.0500 -5.0881 3  376.5374 99 -58516 30349 643      48 742        C-13-H3C-13-H2C-13-N
  154910.0910  0.0500 -5.0683 3  203.5312 61 -58516 303301021      31 922        C-13-H3C-13-H2C-13-N
  154910.0910  0.0500 -5.0683 3  203.5312 61 -58516 303301020      31 923        C-13-H3C-13-H2C-13-N
  154913.5261  0.0041 -5.3072 3  266.3259 85  58516 30342 339      42 340        C-13-H3C-13-H2C-13-N
  154923.4893  0.0038 -6.9191 3   80.1897 43  58516 30321 516      22 319        C-13-H3C-13-H2C-13-N
  154924.3910  0.0500 -5.2373 3  319.2448 93 -58516 30346 443      45 540        C-13-H3C-13-H2C-13-N
  154974.0968  0.0014 -4.7853 3    5.8715 11  58516 303 5 3 3       4 2 2        C-13-H3C-13-H2C-13-N
  155033.0023  0.0052 -5.3482 3  346.5488 97  58516 30348 445      47 542        C-13-H3C-13-H2C-13-N
  155048.7782  0.0045 -6.2326 3  972.7733143  58516 303711853      721756        C-13-H3C-13-H2C-13-N
  155048.7782  0.0045 -6.2326 3  972.7733143  58516 303711854      721755        C-13-H3C-13-H2C-13-N
  155087.9260  0.0500 -4.7849 3    5.8678 11 -58516 303 5 3 2       4 2 3        C-13-H3C-13-H2C-13-N
  155122.7732  0.0292 -6.9342 3  352.5648 99  58516 30349 347      50 050        C-13-H3C-13-H2C-13-N
  155201.9194  0.0020 -5.3162 3  110.7192 55  58516 30327 325      27 126        C-13-H3C-13-H2C-13-N
  155292.7730  0.0500 -4.4320 3   37.0693 29 -58516 30314 410      14 311        C-13-H3C-13-H2C-13-N
  155416.8280  0.0050 -5.2887 3  332.7437 95  58516 30347 444      46 541        C-13-H3C-13-H2C-13-N
  155496.3330  0.0013 -4.1366 3   48.4704 39  58516 30319 019      18 118        C-13-H3C-13-H2C-13-N
  155551.4327  0.0017 -4.6198 3   20.2512 25  58516 30312 211      11 110        C-13-H3C-13-H2C-13-N
  155631.0849  0.0020 -5.8978 3   40.8101 33  58516 30316 314      16 115        C-13-H3C-13-H2C-13-N
  155637.3090  0.0500 -4.4593 3   33.0123 27 -58516 30313 4 9      13 310        C-13-H3C-13-H2C-13-N
  155788.7720  0.0300 -4.3131 3  263.1120 83 -58516 30341 536      41 437        C-13-H3C-13-H2C-13-N
  155797.6940  0.0300 -3.2612 3   91.8412 37 -58516 30318 810      17 8 9        C-13-H3C-13-H2C-13-N
  155797.6940  0.0300 -3.2612 3   91.8412 37 -58516 30318 811      17 810        C-13-H3C-13-H2C-13-N
  155801.1590  0.0300 -3.3169 3  104.4855 37 -58516 30318 9 9      17 9 8        C-13-H3C-13-H2C-13-N
  155801.1590  0.0300 -3.3169 3  104.4855 37 -58516 30318 910      17 9 9        C-13-H3C-13-H2C-13-N
  155806.5879  0.0017 -4.9082 3   10.8330 19  58516 303 9 2 7       8 1 8        C-13-H3C-13-H2C-13-N
  155808.9737  0.0012 -3.2136 3   80.6781 37  58516 30318 712      17 711        C-13-H3C-13-H2C-13-N
  155808.9742  0.0012 -3.2136 3   80.6781 37  58516 30318 711      17 710        C-13-H3C-13-H2C-13-N
  155814.9140  0.0013 -3.3816 3  118.6067 37  58516 3031810 8      1710 7        C-13-H3C-13-H2C-13-N
  155814.9140  0.0013 -3.3816 3  118.6067 37  58516 3031810 9      1710 8        C-13-H3C-13-H2C-13-N
  155836.4383  0.0013 -3.4567 3  134.2006 37  58516 3031811 7      1711 6        C-13-H3C-13-H2C-13-N
  155836.4383  0.0013 -3.4567 3  134.2006 37  58516 3031811 8      1711 7        C-13-H3C-13-H2C-13-N
  155843.6690  0.0300 -3.1732 3   71.0003 37 -58516 30318 613      17 612        C-13-H3C-13-H2C-13-N
  155843.6690  0.0300 -3.1732 3   71.0003 37 -58516 30318 612      17 611        C-13-H3C-13-H2C-13-N
  155864.2630  0.0500 -3.5443 3  151.2628 37 -58516 3031812 6      1712 5        C-13-H3C-13-H2C-13-N
  155864.2630  0.0500 -3.5443 3  151.2628 37 -58516 3031812 7      1712 6        C-13-H3C-13-H2C-13-N
  155870.0717  0.0046 -6.4720 3  247.1757 79  58516 30339 634      40 337        C-13-H3C-13-H2C-13-N
  155895.9030  0.0300 -4.4910 3   29.2481 25 -58516 30312 4 8      12 3 9        C-13-H3C-13-H2C-13-N
  155897.4600  0.0300 -3.6477 3  169.7883 37 -58516 3031813 5      1713 4        C-13-H3C-13-H2C-13-N
  155897.4600  0.0300 -3.6477 3  169.7883 37 -58516 3031813 6      1713 5        C-13-H3C-13-H2C-13-N
  155919.8310  0.0300 -3.1394 3   62.8131 37 -58516 30318 514      17 513        C-13-H3C-13-H2C-13-N
  155921.9050  0.0300 -3.1394 3   62.8132 37 -58516 30318 513      17 512        C-13-H3C-13-H2C-13-N
  155929.1100  0.0300 -5.1119 3  266.7413 71 -58516 303351125      361026        C-13-H3C-13-H2C-13-N
  155929.1100  0.0300 -5.1119 3  266.7413 71 -58516 303351124      361027        C-13-H3C-13-H2C-13-N
  155935.4050  0.0500 -3.7722 3  189.7721 37 -58516 3031814 4      1714 3        C-13-H3C-13-H2C-13-N
  155935.4050  0.0500 -3.7722 3  189.7721 37 -58516 3031814 5      1714 4        C-13-H3C-13-H2C-13-N
  155977.6560  0.0500 -3.9282 3  211.2086 37 -58516 3031815 3      1715 2        C-13-H3C-13-H2C-13-N
  155977.6560  0.0500 -3.9282 3  211.2086 37 -58516 3031815 4      1715 3        C-13-H3C-13-H2C-13-N
  156008.5330  0.0300 -3.0916 3   50.9162 37 -58516 30318 316      17 315        C-13-H3C-13-H2C-13-N
  156023.9550  0.0500 -4.1387 3  234.0921 37 -58516 3031816 2      1716 1        C-13-H3C-13-H2C-13-N
  156023.9550  0.0500 -4.1387 3  234.0921 37 -58516 3031816 3      1716 2        C-13-H3C-13-H2C-13-N
  156056.9860  0.0300 -3.1118 3   56.1235 37 -58516 30318 415      17 414        C-13-H3C-13-H2C-13-N
  156074.0130  0.0500 -4.4776 3  258.4163 37 -58516 3031817 1      1717 0        C-13-H3C-13-H2C-13-N
  156074.0130  0.0500 -4.4776 3  258.4163 37 -58516 3031817 2      1717 1        C-13-H3C-13-H2C-13-N
  156085.9790  0.0300 -4.5277 3   25.7759 23 -58516 30311 4 7      11 3 8        C-13-H3C-13-H2C-13-N
  156099.7517  0.0015 -4.3804 3   46.0014 33  58516 30316 413      16 314        C-13-H3C-13-H2C-13-N
  156109.2964  0.0015 -4.3605 3   50.9162 35  58516 30317 414      17 315        C-13-H3C-13-H2C-13-N
  156118.0086  0.0016 -4.4028 3   41.3758 31  58516 30315 412      15 313        C-13-H3C-13-H2C-13-N
  156124.5820  0.0300 -3.1115 3   56.1275 37 -58516 30318 414      17 413        C-13-H3C-13-H2C-13-N
  156154.5190  0.0300 -4.4281 3   37.0397 29 -58516 30314 411      14 312        C-13-H3C-13-H2C-13-N
  156157.7160  0.0300 -4.3428 3   56.1201 37 -58516 30318 415      18 316        C-13-H3C-13-H2C-13-N
  156201.1690  0.0300 -4.4568 3   32.9930 27 -58516 30313 410      13 311        C-13-H3C-13-H2C-13-N
  156222.3150  0.0017 -4.5706 3   22.5948 21  58516 30310 4 6      10 3 7        C-13-H3C-13-H2C-13-N
  156251.6090  0.0300 -4.4893 3   29.2360 25 -58516 30312 4 9      12 310        C-13-H3C-13-H2C-13-N
  156257.6970  0.0300 -4.3271 3   61.6128 39 -58516 30319 416      19 317        C-13-H3C-13-H2C-13-N
  156301.1610  0.0300 -4.5267 3   25.7686 23 -58516 30311 4 8      11 3 9        C-13-H3C-13-H2C-13-N
  156316.6743  0.0042 -6.5088 3  130.7764 57  58516 30328 524      29 227        C-13-H3C-13-H2C-13-N
  156317.4413  0.0017 -4.6213 3   19.7045 19  58516 303 9 4 5       9 3 6        C-13-H3C-13-H2C-13-N
  156332.9313  0.0036 -5.8149 3  807.3923143  58516 303711062      701159        C-13-H3C-13-H2C-13-N
  156346.1820  0.0500 -4.5700 3   22.5906 21 -58516 30310 4 7      10 3 8        C-13-H3C-13-H2C-13-N
  156362.5737  0.0056 -6.4721 3 1106.6678153  58516 303761957      771860        C-13-H3C-13-H2C-13-N
  156362.5737  0.0056 -6.4721 3 1106.6678153  58516 303761958      771859        C-13-H3C-13-H2C-13-N
  156381.5366  0.0017 -4.6826 3   17.1043 17  58516 303 8 4 4       8 3 5        C-13-H3C-13-H2C-13-N
  156384.4724  0.0017 -4.6210 3   19.7022 19  58516 303 9 4 6       9 3 7        C-13-H3C-13-H2C-13-N
  156415.2082  0.0017 -4.6824 3   17.1031 17  58516 303 8 4 5       8 3 6        C-13-H3C-13-H2C-13-N
  156422.9460  0.0500 -4.7589 3   14.7939 15 -58516 303 7 4 3       7 3 4        C-13-H3C-13-H2C-13-N
  156422.9460  0.0500 -4.3130 3   67.3938 41 -58516 30320 417      20 318        C-13-H3C-13-H2C-13-N
  156426.0748  0.0030 -4.8423 3  211.3304 75  58516 30337 433      36 532        C-13-H3C-13-H2C-13-N
  156438.2065  0.0017 -4.7588 3   14.7933 15  58516 303 7 4 4       7 3 5        C-13-H3C-13-H2C-13-N
  156447.8985  0.0018 -4.8594 3   12.7728 13  58516 303 6 4 2       6 3 3        C-13-H3C-13-H2C-13-N
  156454.0632  0.0018 -4.8594 3   12.7726 13  58516 303 6 4 3       6 3 4        C-13-H3C-13-H2C-13-N
  156457.2460  0.0300 -4.3840 3   63.2469 43 -58516 30321 120      20 219        C-13-H3C-13-H2C-13-N
  156461.8016  0.0018 -5.0051 3   11.0410 11  58516 303 5 4 1       5 3 2        C-13-H3C-13-H2C-13-N
  156463.8616  0.0018 -5.0051 3   11.0409 11  58516 303 5 4 2       5 3 3        C-13-H3C-13-H2C-13-N
  156468.4502  0.0018 -5.2662 3    9.5981  9  58516 303 4 4 0       4 3 1        C-13-H3C-13-H2C-13-N
  156468.9662  0.0018 -5.2662 3    9.5981  9  58516 303 4 4 1       4 3 2        C-13-H3C-13-H2C-13-N
  156476.3288  0.0036 -5.8141 3  807.3921143  58516 303711061      701160        C-13-H3C-13-H2C-13-N
  156579.9960  0.0071 -6.5951 3 1224.3032175  58516 303871375      861472        C-13-H3C-13-H2C-13-N
  156583.2993  0.0071 -6.5951 3 1224.3032175  58516 303871374      861473        C-13-H3C-13-H2C-13-N
  156586.8520  0.0500 -4.5925 3  105.8236 55 -58516 30327 226      27 127        C-13-H3C-13-H2C-13-N
  156668.3270  0.0300 -4.3006 3   73.4629 43 -58516 30321 418      21 319        C-13-H3C-13-H2C-13-N
  156943.4390  0.0500 -5.1867 3  338.6404 81 -58516 303401229      411130        C-13-H3C-13-H2C-13-N
  156943.4390  0.0500 -5.1867 3  338.6404 81 -58516 303401228      411131        C-13-H3C-13-H2C-13-N
  157007.2900  0.0500 -5.0330 3  326.4149 93 -58516 30346 542      45 639        C-13-H3C-13-H2C-13-N
  157009.5830  0.0500 -4.2895 3   79.8195 45 -58516 30322 419      22 320        C-13-H3C-13-H2C-13-N
  157031.3850  0.0300 -3.0861 3   51.0062 37 -58516 30318 315      17 314        C-13-H3C-13-H2C-13-N
  157075.8616  0.0049 -5.3655 3  105.8073 55  58516 30327 226      27 027        C-13-H3C-13-H2C-13-N
  157278.2082  0.0253 -7.0083 3  586.1325127  58516 30363 360      64 263        C-13-H3C-13-H2C-13-N
  157451.0473  0.0021 -5.9812 3   36.1238 31  58516 30315 313      15 114        C-13-H3C-13-H2C-13-N
  157462.8310  0.0300 -4.2796 3   86.4632 47 -58516 30323 420      23 321        C-13-H3C-13-H2C-13-N
  157469.6280  0.0300 -3.0630 3   45.7805 37 -58516 30318 117      17 116        C-13-H3C-13-H2C-13-N
  157532.7372  0.0034 -6.8695 3   86.4632 45  58516 30322 518      23 321        C-13-H3C-13-H2C-13-N
  157542.8375  0.0098 -6.9012 3  670.8878135  58516 30367 463      66 660        C-13-H3C-13-H2C-13-N
  157670.0202  0.0022 -5.2870 3  118.7064 57  58516 30328 326      28 127        C-13-H3C-13-H2C-13-N
  157747.6851  0.0073 -6.7314 3 1249.1647163  58516 303812061      821964        C-13-H3C-13-H2C-13-N
  157747.6851  0.0073 -6.7314 3 1249.1647163  58516 303812062      821963        C-13-H3C-13-H2C-13-N
  157846.5721  0.0036 -4.7255 3  146.4608 63  58516 30331 328      30 427        C-13-H3C-13-H2C-13-N
  157965.5086  0.0022 -5.2891 3  419.2215 91  58516 303451333      461234        C-13-H3C-13-H2C-13-N
  157965.5087  0.0022 -5.2891 3  419.2215 91  58516 303451332      461235        C-13-H3C-13-H2C-13-N
  158034.4841  0.0032 -4.3625 3  135.6817 61  58516 30330 328      30 229        C-13-H3C-13-H2C-13-N
  158044.6618  0.0015 -4.2709 3   93.3933 49  58516 30324 421      24 322        C-13-H3C-13-H2C-13-N
  158241.1492  0.0036 -6.7976 3  280.0554 83  58516 30341 735      42 538        C-13-H3C-13-H2C-13-N
  158253.5570  0.0300 -3.0400 3   48.4704 39 -58516 30319 119      18 118        C-13-H3C-13-H2C-13-N
  158253.9654  0.0310 -6.9553 3  366.5500101  58516 30350 248      51 151        C-13-H3C-13-H2C-13-N
  158297.1793  0.0025 -5.2270 3  476.8748111  58516 30355 748      54 847        C-13-H3C-13-H2C-13-N
  158467.5975  0.0113 -6.2307 3  690.6047137  58516 30368 564      67 661        C-13-H3C-13-H2C-13-N
  158771.4890  0.0300 -4.2631 3  100.6093 51 -58516 30325 422      25 323        C-13-H3C-13-H2C-13-N
  158853.3730  0.0300 -3.0363 3   48.3585 39 -58516 30319 019      18 018        C-13-H3C-13-H2C-13-N
  158957.7940  0.0500 -4.5726 3  479.0897113 -58516 30356 551      56 452        C-13-H3C-13-H2C-13-N
  159006.3238  0.0023 -5.4167 3  508.4761101  58516 303501436      511339        C-13-H3C-13-H2C-13-N
  159006.3238  0.0023 -5.4167 3  508.4761101  58516 303501437      511338        C-13-H3C-13-H2C-13-N
  159122.2791  0.0252 -6.9986 3  586.1324127  58516 30363 460      64 163        C-13-H3C-13-H2C-13-N
  159129.3531  0.0030 -5.5946 3  693.8902133  58516 30366 958      651055        C-13-H3C-13-H2C-13-N
  159151.9244  0.0025 -5.5602 3   34.5121 19  58516 303 9 6 4      10 5 5        C-13-H3C-13-H2C-13-N
  159151.9379  0.0025 -5.5602 3   34.5121 19  58516 303 9 6 3      10 5 6        C-13-H3C-13-H2C-13-N
  159173.9900  0.0500 -3.0605 3   47.7302 37 -58516 30318 216      17 215        C-13-H3C-13-H2C-13-N
  159305.7552  0.0036 -4.4523 3  365.1111 99  58516 30349 445      49 346        C-13-H3C-13-H2C-13-N
  159380.8482  0.0021 -6.0713 3   31.7233 29  58516 30314 312      14 113        C-13-H3C-13-H2C-13-N
  159406.4100  0.0300 -4.2894 3  251.0193 81 -58516 30340 535      40 436        C-13-H3C-13-H2C-13-N
  159636.8713  0.0029 -5.5917 3  693.8894133  58516 30366 957      651056        C-13-H3C-13-H2C-13-N
  159651.0793  0.0058 -6.3101 3 1083.5687165  58516 303821271      811368        C-13-H3C-13-H2C-13-N
  159659.3810  0.0500 -4.2562 3  108.1104 53 -58516 30326 423      26 324        C-13-H3C-13-H2C-13-N
  159664.2358  0.0058 -6.3101 3 1083.5687165  58516 303821270      811369        C-13-H3C-13-H2C-13-N
  159678.6342  0.0055 -5.6797 3  547.9516121  58516 30360 555      60 556        C-13-H3C-13-H2C-13-N
  159984.1675  0.0309 -6.9463 3  366.5499101  58516 30350 348      51 051        C-13-H3C-13-H2C-13-N
  160075.9298  0.0026 -5.5679 3  606.3953111  58516 303551540      561443        C-13-H3C-13-H2C-13-N
  160075.9298  0.0026 -5.5679 3  606.3953111  58516 303551541      561442        C-13-H3C-13-H2C-13-N
  160076.7593  0.0513 -6.9139 3 1231.9989181  58516 30390 882      90 883        C-13-H3C-13-H2C-13-N
  160170.3909  0.0050 -5.2440 3  182.2238 71  58516 30335 233      35 234        C-13-H3C-13-H2C-13-N
  160360.0283  0.0026 -5.2308 3   61.4713 29  58516 30314 7 8      15 6 9        C-13-H3C-13-H2C-13-N
  160360.0374  0.0026 -5.2308 3   61.4713 29  58516 30314 7 7      15 610        C-13-H3C-13-H2C-13-N
  160518.3843  0.0047 -5.4411 3  394.7514103  58516 30351 447      51 448        C-13-H3C-13-H2C-13-N
  160565.1440  0.0024 -5.2606 3  126.9624 59  58516 30329 327      29 128        C-13-H3C-13-H2C-13-N
  160723.8700  0.0300 -4.2502 3  115.8961 55 -58516 30327 424      27 325        C-13-H3C-13-H2C-13-N
  160775.9187  0.0037 -6.7707 3  155.8168 61  58516 30330 624      31 427        C-13-H3C-13-H2C-13-N
  160901.0325  0.0014 -6.3169 3    8.0435 17  58516 303 8 2 6       7 0 7        C-13-H3C-13-H2C-13-N
  160983.3622  0.0041 -6.9274 3  396.2765 99  58516 30349 841      50 644        C-13-H3C-13-H2C-13-N
  161183.5122  0.0029 -5.7416 3  712.9689121  58516 303601644      611547        C-13-H3C-13-H2C-13-N
  161183.5122  0.0029 -5.7416 3  712.9689121  58516 303601645      611546        C-13-H3C-13-H2C-13-N
  161351.1143  0.0048 -6.3359 3  473.7076113  58516 30356 452      55 649        C-13-H3C-13-H2C-13-N
  161376.8485  0.0021 -6.1689 3   27.6101 27  58516 30313 311      13 112        C-13-H3C-13-H2C-13-N
  161492.5030  0.0500 -5.0893 3   97.1370 39 -58516 30319 812      20 713        C-13-H3C-13-H2C-13-N
  161492.5030  0.0500 -5.0893 3   97.1370 39 -58516 30319 811      20 714        C-13-H3C-13-H2C-13-N
  161537.4970  0.0300 -4.5548 3   23.7856 27 -58516 30313 212      12 111        C-13-H3C-13-H2C-13-N
  161610.5820  0.0300 -4.1012 3   48.3585 39 -58516 30319 119      18 018        C-13-H3C-13-H2C-13-N
  161657.2558  0.0061 -5.3567 3  121.5701 59  58516 30329 128      29 129        C-13-H3C-13-H2C-13-N
  161699.2317  0.0027 -5.3970 3  589.0226123  58516 30361 854      60 951        C-13-H3C-13-H2C-13-N
  161965.5760  0.0500 -4.5903 3  121.5598 59 -58516 30329 128      29 029        C-13-H3C-13-H2C-13-N
  161979.5070  0.0500 -4.2448 3  123.9657 57 -58516 30328 425      28 326        C-13-H3C-13-H2C-13-N
  162319.5859  0.0091 -6.9011 3 1400.0471187  58516 303931480      921577        C-13-H3C-13-H2C-13-N
  162320.6438  0.0091 -6.9011 3 1400.0471187  58516 303931479      921578        C-13-H3C-13-H2C-13-N
  162337.5090  0.0035 -5.9368 3  828.1859131  58516 303651748      661651        C-13-H3C-13-H2C-13-N
  162337.5090  0.0035 -5.9368 3  828.1859131  58516 303651749      661650        C-13-H3C-13-H2C-13-N
  162339.2166  0.0040 -6.9267 3  410.6939101  58516 30350 843      51 646        C-13-H3C-13-H2C-13-N
  162399.4380  0.0300 -4.4039 3  182.1494 71 -58516 30335 233      35 134        C-13-H3C-13-H2C-13-N
  162565.8330  0.0500 -4.5749 3  113.5606 57 -58516 30328 227      28 128        C-13-H3C-13-H2C-13-N
  162567.6750  0.0500 -5.0326 3  141.5072 49 -58516 30324 916      25 817        C-13-H3C-13-H2C-13-N
  162567.6750  0.0500 -5.0326 3  141.5072 49 -58516 30324 915      25 818        C-13-H3C-13-H2C-13-N
  162619.1230  0.0500 -4.3814 3  266.0688 85 -58516 30342 339      42 240        C-13-H3C-13-H2C-13-N
  162671.6541  0.0047 -6.0453 3  951.4224155  58516 303771167      761264        C-13-H3C-13-H2C-13-N
  162693.6610  0.0300 -4.3513 3  144.4427 63 -58516 30331 329      31 230        C-13-H3C-13-H2C-13-N
  162722.1274  0.0047 -6.0451 3  951.4224155  58516 303771166      761265        C-13-H3C-13-H2C-13-N
  162723.3561  0.0037 -6.9280 3   45.7805 33  58516 30316 413      17 116        C-13-H3C-13-H2C-13-N
  162860.3800  0.0500 -3.0264 3   52.1012 39 -58516 30319 218      18 217        C-13-H3C-13-H2C-13-N
  162954.5874  0.0051 -5.3446 3  113.5477 57  58516 30328 227      28 028        C-13-H3C-13-H2C-13-N
  162971.0551  0.0026 -5.0956 3  405.2577103  58516 30351 646      50 743        C-13-H3C-13-H2C-13-N
  163008.2662  0.0034 -6.7415 3  164.7095 63  58516 30331 626      32 429        C-13-H3C-13-H2C-13-N
  163106.5650  0.0300 -4.2661 3  239.2268 79 -58516 30339 534      39 435        C-13-H3C-13-H2C-13-N
  163398.0082  0.0026 -5.3876 3  589.0194123  58516 30361 853      60 952        C-13-H3C-13-H2C-13-N
  163398.1588  0.0021 -6.2748 3   23.7856 25  58516 30312 310      12 111        C-13-H3C-13-H2C-13-N
  163438.0303  0.0327 -6.9666 3  380.8060103  58516 30351 249      52 152        C-13-H3C-13-H2C-13-N
  163439.7460  0.0300 -4.2401 3  132.3182 59 -58516 30329 426      29 327        C-13-H3C-13-H2C-13-N
  163477.9640  0.0500 -5.2267 3  492.8050113 -58516 30356 750      55 847        C-13-H3C-13-H2C-13-N
  163495.5597  0.0090 -6.8014 3  651.4627133  58516 30366 462      65 659        C-13-H3C-13-H2C-13-N
  163528.6680  0.0300 -4.7150 3    7.3179 13 -58516 303 6 3 4       5 2 3        C-13-H3C-13-H2C-13-N
  163545.6680  0.0500 -6.1530 3  952.0344141 -58516 303701852      711755        C-13-H3C-13-H2C-13-N
  163545.6680  0.0500 -6.1530 3  952.0344141 -58516 303701853      711754        C-13-H3C-13-H2C-13-N
  163603.1600  0.0300 -5.0292 3  194.5783 59 -58516 303291020      30 921        C-13-H3C-13-H2C-13-N
  163603.1600  0.0300 -5.0292 3  194.5783 59 -58516 303291019      30 922        C-13-H3C-13-H2C-13-N
  163795.4250  0.0300 -4.7142 3    7.3092 13 -58516 303 6 3 3       5 2 4        C-13-H3C-13-H2C-13-N
  163864.8390  0.0026 -5.2368 3  135.4872 61  58516 30330 328      30 129        C-13-H3C-13-H2C-13-N
  164215.6580  0.0300 -4.0713 3   53.7492 41 -58516 30320 020      19 119        C-13-H3C-13-H2C-13-N
  164300.6134  0.0030 -5.0210 3  339.7879 95  58516 30347 543      46 640        C-13-H3C-13-H2C-13-N
  164458.8760  0.0500 -3.1911 3   97.0381 39 -58516 30319 811      18 810        C-13-H3C-13-H2C-13-N
  164458.8760  0.0500 -3.1911 3   97.0381 39 -58516 30319 812      18 811        C-13-H3C-13-H2C-13-N
  164459.6180  0.0500 -3.2430 3  109.6824 39 -58516 30319 910      18 9 9        C-13-H3C-13-H2C-13-N
  164459.6180  0.0500 -3.2430 3  109.6824 39 -58516 30319 911      18 910        C-13-H3C-13-H2C-13-N
  164472.0360  0.0300 -3.3029 3  123.8041 39 -58516 3031910 9      1810 8        C-13-H3C-13-H2C-13-N
  164472.0360  0.0300 -3.3029 3  123.8041 39 -58516 303191010      1810 9        C-13-H3C-13-H2C-13-N
  164475.0850  0.0300 -3.1463 3   85.8753 39 -58516 30319 713      18 712        C-13-H3C-13-H2C-13-N
  164475.0850  0.0300 -3.1463 3   85.8753 39 -58516 30319 712      18 711        C-13-H3C-13-H2C-13-N
  164493.2120  0.0300 -3.3717 3  139.3988 39 -58516 3031911 8      1811 7        C-13-H3C-13-H2C-13-N
  164493.2120  0.0300 -3.3717 3  139.3988 39 -58516 3031911 9      1811 8        C-13-H3C-13-H2C-13-N
  164518.4780  0.0300 -3.1082 3   76.1987 39 -58516 30319 614      18 613        C-13-H3C-13-H2C-13-N
  164518.4780  0.0300 -3.1082 3   76.1987 39 -58516 30319 613      18 612        C-13-H3C-13-H2C-13-N
  164521.4190  0.0300 -3.4508 3  156.4618 39 -58516 3031912 7      1812 6        C-13-H3C-13-H2C-13-N
  164521.4190  0.0300 -3.4508 3  156.4618 39 -58516 3031912 8      1812 7        C-13-H3C-13-H2C-13-N
  164555.5420  0.0300 -3.5424 3  174.9885 39 -58516 3031913 6      1813 5        C-13-H3C-13-H2C-13-N
  164555.5420  0.0300 -3.5424 3  174.9885 39 -58516 3031913 7      1813 6        C-13-H3C-13-H2C-13-N
  164594.8236  0.0014 -3.6496 3  194.9735 39  58516 3031914 5      1814 4        C-13-H3C-13-H2C-13-N
  164594.8236  0.0014 -3.6496 3  194.9735 39  58516 3031914 6      1814 5        C-13-H3C-13-H2C-13-N
  164609.7987  0.0012 -3.0762 3   68.0140 39  58516 30319 515      18 514        C-13-H3C-13-H2C-13-N
  164613.3560  0.0300 -3.0762 3   68.0142 39 -58516 30319 514      18 513        C-13-H3C-13-H2C-13-N
  164614.6260  0.0300 -5.0654 3  256.3454 69 -58516 303341124      351025        C-13-H3C-13-H2C-13-N
  164614.6260  0.0300 -5.0654 3  256.3454 69 -58516 303341123      351026        C-13-H3C-13-H2C-13-N
  164638.8590  0.0500 -3.7780 3  216.4115 39 -58516 3031915 4      1815 3        C-13-H3C-13-H2C-13-N
  164638.8590  0.0500 -3.7780 3  216.4115 39 -58516 3031915 5      1815 4        C-13-H3C-13-H2C-13-N
  164665.3240  0.0500 -3.0311 3   56.1201 39 -58516 30319 317      18 316        C-13-H3C-13-H2C-13-N
  164687.2320  0.0500 -3.9377 3  239.2965 39 -58516 3031916 3      1816 2        C-13-H3C-13-H2C-13-N
  164687.2320  0.0500 -3.9377 3  239.2965 39 -58516 3031916 4      1816 3        C-13-H3C-13-H2C-13-N
  164739.6960  0.0500 -4.1520 3  263.6223 39 -58516 3031917 2      1817 1        C-13-H3C-13-H2C-13-N
  164739.6960  0.0500 -4.1520 3  263.6223 39 -58516 3031917 3      1817 2        C-13-H3C-13-H2C-13-N
  164753.7820  0.0300 -4.5792 3  495.6898115 -58516 30357 552      57 453        C-13-H3C-13-H2C-13-N
  164754.3611  0.0040 -5.2804 3  278.5666 87  58516 30343 340      43 341        C-13-H3C-13-H2C-13-N
  164765.2460  0.0300 -3.0500 3   61.3290 39 -58516 30319 416      18 415        C-13-H3C-13-H2C-13-N
  164796.0420  0.0500 -4.4945 3  289.3826 39 -58516 3031918 1      1818 0        C-13-H3C-13-H2C-13-N
  164796.0420  0.0500 -4.4945 3  289.3826 39 -58516 3031918 2      1818 1        C-13-H3C-13-H2C-13-N
  164815.1805  0.0053 -6.3894 3 1084.5016151  58516 303751956      761859        C-13-H3C-13-H2C-13-N
  164815.1805  0.0053 -6.3894 3 1084.5016151  58516 303751957      761858        C-13-H3C-13-H2C-13-N
  164857.0007  0.0326 -6.9595 3  380.8060103  58516 30351 349      52 052        C-13-H3C-13-H2C-13-N
  164863.5360  0.0300 -3.0495 3   61.3352 39 -58516 30319 415      18 414        C-13-H3C-13-H2C-13-N
  164878.7201  0.0111 -5.9962 3  745.9795141  58516 30370 664      70 665        C-13-H3C-13-H2C-13-N
  165064.8521  0.0275 -6.4086 3  974.0549161  58516 30380 773      80 774        C-13-H3C-13-H2C-13-N
  165116.6910  0.0300 -4.2360 3  140.9531 61 -58516 30330 427      30 328        C-13-H3C-13-H2C-13-N
  165182.3200  0.0300 -4.5323 3  100.6093 53 -58516 30326 224      25 323        C-13-H3C-13-H2C-13-N
  165341.6950  0.0300 -4.6371 3  553.2779121 -58516 30360 654      60 555        C-13-H3C-13-H2C-13-N
  165406.8966  0.0022 -6.3905 3   20.2512 23  58516 30311 3 9      11 110        C-13-H3C-13-H2C-13-N
  165543.0050  0.0300 -4.6640 3  571.2040123 -58516 30361 655      61 556        C-13-H3C-13-H2C-13-N
  165570.5511  0.0074 -6.5933 3 1249.3291177  58516 303881376      871473        C-13-H3C-13-H2C-13-N
  165574.8936  0.0074 -6.5933 3 1249.3291177  58516 303881375      871474        C-13-H3C-13-H2C-13-N
  165616.0540  0.0300 -5.1343 3  326.8027 79 -58516 303391227      401130        C-13-H3C-13-H2C-13-N
  165616.0540  0.0300 -5.1343 3  326.8027 79 -58516 303391228      401129        C-13-H3C-13-H2C-13-N
  165656.2395  0.0038 -5.8010 3  827.8794145  58516 303721063      711160        C-13-H3C-13-H2C-13-N
  165841.9436  0.0038 -5.8000 3  827.8791145  58516 303721062      711161        C-13-H3C-13-H2C-13-N
  165875.5230  0.0300 -3.0055 3   51.0331 39 -58516 30319 118      18 117        C-13-H3C-13-H2C-13-N
  165881.5800  0.0300 -4.6086 3  535.6310119 -58516 30359 653      59 554        C-13-H3C-13-H2C-13-N
  165906.9398  0.0038 -6.9206 3   73.7521 41  58516 30320 515      21 318        C-13-H3C-13-H2C-13-N
  165970.9400  0.0300 -3.0245 3   56.2442 39 -58516 30319 316      18 315        C-13-H3C-13-H2C-13-N
  165998.1023  0.0035 -6.8758 3   79.8195 43  58516 30321 517      22 320        C-13-H3C-13-H2C-13-N
  166152.5424  0.0069 -6.6458 3 1225.5738161  58516 303802060      811963        C-13-H3C-13-H2C-13-N
  166152.5424  0.0069 -6.6458 3 1225.5738161  58516 303802061      811962        C-13-H3C-13-H2C-13-N
  166212.6630  0.0300 -5.0483 3  390.7322101 -58516 30350 644      49 743        C-13-H3C-13-H2C-13-N
  166313.0020  0.0079 -6.8249 3  571.2040121  58516 30360 853      61 556        C-13-H3C-13-H2C-13-N
  166467.8620  0.0300 -2.9849 3   53.7492 41 -58516 30320 120      19 119        C-13-H3C-13-H2C-13-N
  166518.7130  0.0300 -4.6894 3  589.4066125 -58516 30362 656      62 557        C-13-H3C-13-H2C-13-N
  166620.1250  0.0300 -5.2317 3  405.9431 89 -58516 303441331      451234        C-13-H3C-13-H2C-13-N
  166620.1250  0.0300 -5.2317 3  405.9431 89 -58516 303441332      451233        C-13-H3C-13-H2C-13-N
  166644.6534  0.0104 -6.1150 3  670.8878135  58516 30367 563      66 660        C-13-H3C-13-H2C-13-N
  166679.8613  0.0065 -6.5974 3  602.3235127  58516 30363 558      62 755        C-13-H3C-13-H2C-13-N
  166707.8294  0.0036 -6.7673 3  256.3365 79  58516 30339 732      40 535        C-13-H3C-13-H2C-13-N
  166810.6660  0.0300 -4.2436 3  227.7360 77 -58516 30338 533      38 434        C-13-H3C-13-H2C-13-N
  166864.4677  0.0027 -4.9106 3  300.4861 89  58516 30344 539      43 638        C-13-H3C-13-H2C-13-N
  166912.3812  0.0413 -6.8880 3 1027.3773167  58516 30383 678      82 775        C-13-H3C-13-H2C-13-N
  166972.8810  0.0300 -2.9820 3   53.6572 41 -58516 30320 020      19 019        C-13-H3C-13-H2C-13-N
  167021.0160  0.0300 -4.2324 3  149.8696 63 -58516 30331 428      31 329        C-13-H3C-13-H2C-13-N
  167120.1420  0.0300 -4.5788 3  518.2660117 -58516 30358 652      58 553        C-13-H3C-13-H2C-13-N
  167218.0990  0.0300 -4.4465 3  379.5486101 -58516 30350 446      50 347        C-13-H3C-13-H2C-13-N
  167224.9812  0.0050 -6.3279 3  490.1118115  58516 30357 453      56 650        C-13-H3C-13-H2C-13-N
  167360.3680  0.0300 -4.4927 3   27.6101 29 -58516 30314 213      13 112        C-13-H3C-13-H2C-13-N
  167368.2866  0.0021 -6.5177 3   17.0078 21  58516 30310 3 8      10 1 9        C-13-H3C-13-H2C-13-N
  167538.3910  0.0300 -4.2947 3   69.2402 45 -58516 30322 121      21 220        C-13-H3C-13-H2C-13-N
  167543.0980  0.0028 -5.2153 3  144.2810 63  58516 30331 329      31 130        C-13-H3C-13-H2C-13-N
  167555.9360  0.0300 -4.3409 3  153.4778 65 -58516 30332 330      32 231        C-13-H3C-13-H2C-13-N
  167563.7402  0.0099 -6.9217 3 1375.2366171  58516 303852164      862067        C-13-H3C-13-H2C-13-N
  167563.7402  0.0099 -6.9217 3 1375.2366171  58516 303852165      862066        C-13-H3C-13-H2C-13-N
  167638.1120  0.0300 -5.3548 3  493.7588 99 -58516 303491435      501338        C-13-H3C-13-H2C-13-N
  167638.1120  0.0300 -5.3548 3  493.7588 99 -58516 303491436      501337        C-13-H3C-13-H2C-13-N
  167665.6075  0.0036 -6.7569 3  267.8766 81  58516 30340 734      41 537        C-13-H3C-13-H2C-13-N
  167744.7000  0.0300 -4.8586 3   13.3508 21 -58516 30310 2 8       9 1 9        C-13-H3C-13-H2C-13-N
  167814.8936  0.0025 -5.6842 3   31.6257 17  58516 303 8 6 3       9 5 4        C-13-H3C-13-H2C-13-N
  167814.8980  0.0025 -5.6842 3   31.6257 17  58516 303 8 6 2       9 5 5        C-13-H3C-13-H2C-13-N
  168057.7595  0.0057 -6.5736 3  385.1264 99  58516 30349 743      50 446        C-13-H3C-13-H2C-13-N
  168097.2980  0.0300 -3.0004 3   53.0396 39 -58516 30319 217      18 216        C-13-H3C-13-H2C-13-N
  168141.4324  0.0043 -6.5315 3  122.2757 55  58516 30327 523      28 226        C-13-H3C-13-H2C-13-N
  168292.4670  0.0300 -4.7131 3  607.8834127 -58516 30363 657      63 558        C-13-H3C-13-H2C-13-N
  168521.2239  0.0083 -6.7092 3  632.3316131  58516 30365 461      64 658        C-13-H3C-13-H2C-13-N
  168569.5761  0.0032 -5.5777 3  712.9541135  58516 30367 959      661056        C-13-H3C-13-H2C-13-N
  168633.0150  0.0500 -4.5589 3  121.5701 59 -58516 30329 228      29 129        C-13-H3C-13-H2C-13-N
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  168680.2790  0.0300 -5.5020 3  590.2408109 -58516 303541540      551441        C-13-H3C-13-H2C-13-N
  168726.2246  0.0049 -5.2181 3  192.3517 73  58516 30336 234      36 235        C-13-H3C-13-H2C-13-N
  168755.5721  0.0061 -6.3055 3 1107.1806167  58516 303831272      821369        C-13-H3C-13-H2C-13-N
  168772.7230  0.0300 -5.1974 3  492.7934113 -58516 30356 749      55 848        C-13-H3C-13-H2C-13-N
  168772.7771  0.0061 -6.3054 3 1107.1806167  58516 303831271      821370        C-13-H3C-13-H2C-13-N
  168941.2000  0.0054 -5.3257 3  121.5598 59  58516 30329 228      29 029        C-13-H3C-13-H2C-13-N
  168946.3043  0.0062 -5.3338 3  129.8518 61  58516 30330 129      30 130        C-13-H3C-13-H2C-13-N
  169005.5770  0.0300 -4.5479 3  501.1854115 -58516 30357 651      57 552        C-13-H3C-13-H2C-13-N
  169035.1453  0.0027 -5.2550 3   57.1405 27  58516 30313 7 7      14 6 8        C-13-H3C-13-H2C-13-N
  169035.1492  0.0027 -5.2550 3   57.1405 27  58516 30313 7 6      14 6 9        C-13-H3C-13-H2C-13-N
  169161.3360  0.0300 -4.2294 3  159.0669 65 -58516 30332 429      32 330        C-13-H3C-13-H2C-13-N
  169190.3199  0.0062 -4.5699 3  129.8436 61  58516 30330 129      30 030        C-13-H3C-13-H2C-13-N
  169220.6200  0.0031 -5.5743 3  712.9530135  58516 30367 958      661057        C-13-H3C-13-H2C-13-N
  169225.0670  0.0300 -4.0438 3   53.6572 41 -58516 30320 120      19 019        C-13-H3C-13-H2C-13-N
  169231.5573  0.0046 -6.4586 3  235.4314 77  58516 30338 633      39 336        C-13-H3C-13-H2C-13-N
  169250.6643  0.0021 -6.6589 3   14.0566 19  58516 303 9 3 7       9 1 8        C-13-H3C-13-H2C-13-N
  169756.0500  0.0300 -5.6720 3  695.3792119 -58516 303591643      601546        C-13-H3C-13-H2C-13-N
  169756.0500  0.0300 -5.6720 3  695.3792119 -58516 303591644      601545        C-13-H3C-13-H2C-13-N
  170176.4350  0.0300 -5.0819 3   91.3616 37 -58516 30318 811      19 712        C-13-H3C-13-H2C-13-N
  170176.4350  0.0300 -5.0819 3   91.3616 37 -58516 30318 810      19 713        C-13-H3C-13-H2C-13-N
  170201.0100  0.0300 -4.7761 3  222.0587 77 -58516 30338 434      37 533        C-13-H3C-13-H2C-13-N
  170446.7960  0.0300 -4.2220 3  216.5482 75 -58516 30337 532      37 433        C-13-H3C-13-H2C-13-N
  170546.4000  0.0300 -4.3847 3  192.2910 73 -58516 30336 234      36 135        C-13-H3C-13-H2C-13-N
  170874.1699  0.0035 -5.8637 3  809.1632129  58516 303641747      651650        C-13-H3C-13-H2C-13-N
  170874.1699  0.0035 -5.8637 3  809.1632129  58516 303641748      651649        C-13-H3C-13-H2C-13-N
  170878.4310  0.0300 -4.7353 3  626.6317129 -58516 30364 658      64 559        C-13-H3C-13-H2C-13-N
  170885.3905  0.0015 -6.1484 3   10.3300 19  58516 303 9 2 7       8 0 8        C-13-H3C-13-H2C-13-N
  171025.4312  0.0021 -6.8175 3   11.3984 17  58516 303 8 3 6       8 1 7        C-13-H3C-13-H2C-13-N
  171198.0507  0.0031 -5.0151 3  353.4595 97  58516 30348 544      47 641        C-13-H3C-13-H2C-13-N
  171201.0720  0.0028 -5.3775 3  606.6615125  58516 30362 855      61 952        C-13-H3C-13-H2C-13-N
  171217.6659  0.0095 -6.9054 3 1426.7676189  58516 303941481      931578        C-13-H3C-13-H2C-13-N
  171217.9320  0.0300 -4.3672 3  278.3510 87 -58516 30343 340      43 241        C-13-H3C-13-H2C-13-N
  171219.0575  0.0095 -6.9053 3 1426.7676189  58516 303941480      931579        C-13-H3C-13-H2C-13-N
  171235.7200  0.0300 -4.5850 3  512.5542117 -58516 30358 553      58 454        C-13-H3C-13-H2C-13-N
  171255.5970  0.0300 -5.0088 3  134.2873 47 -58516 30323 915      24 816        C-13-H3C-13-H2C-13-N
  171255.5970  0.0300 -5.0088 3  134.2873 47 -58516 30323 914      24 817        C-13-H3C-13-H2C-13-N
  171278.5970  0.0300 -2.9716 3   57.5336 41 -58516 30320 219      19 218        C-13-H3C-13-H2C-13-N
  171346.6840  0.0057 -5.6614 3  565.4884123  58516 30361 556      61 557        C-13-H3C-13-H2C-13-N
  171361.2161  0.0048 -5.4190 3  409.6446105  58516 30352 448      52 449        C-13-H3C-13-H2C-13-N
  171476.9310  0.0300 -4.5159 3  484.3920113 -58516 30356 650      56 551        C-13-H3C-13-H2C-13-N
  171544.8950  0.0300 -4.2268 3  168.5442 67 -58516 30333 430      33 331        C-13-H3C-13-H2C-13-N
  171571.7211  0.0029 -5.1960 3  153.3439 65  58516 30332 330      32 131        C-13-H3C-13-H2C-13-N
  171761.7242  0.0027 -5.0758 3  420.0471105  58516 30352 647      51 744        C-13-H3C-13-H2C-13-N
  171820.3124  0.0053 -6.3339 3  506.8229117  58516 30358 454      57 651        C-13-H3C-13-H2C-13-N
  171836.4340  0.0300 -4.6445 3  155.4408 65 -58516 30332 329      31 428        C-13-H3C-13-H2C-13-N
  171898.7083  0.0050 -6.0378 3  973.6173157  58516 303781168      771265        C-13-H3C-13-H2C-13-N
  171964.2914  0.0050 -6.0375 3  973.6172157  58516 303781167      771266        C-13-H3C-13-H2C-13-N
  172008.3690  0.0300 -4.6484 3    9.0558 15 -58516 303 7 3 5       6 2 4        C-13-H3C-13-H2C-13-N
  172010.5006  0.0034 -6.7220 3  155.4408 61  58516 30330 625      31 428        C-13-H3C-13-H2C-13-N
  172042.5681  0.0042 -6.0765 3  931.5810139  58516 303691851      701754        C-13-H3C-13-H2C-13-N
  172042.5681  0.0042 -6.0765 3  931.5810139  58516 303691852      701753        C-13-H3C-13-H2C-13-N
  172144.7076  0.0037 -6.7437 3  146.7595 59  58516 30329 623      30 426        C-13-H3C-13-H2C-13-N
  172184.5472  0.0040 -6.8736 3  395.9008 99  58516 30349 842      50 645        C-13-H3C-13-H2C-13-N
  172289.5920  0.0023 -4.9947 3  185.9144 57  58516 303281019      29 920        C-13-H3C-13-H2C-13-N
  172289.5923  0.0023 -4.9947 3  185.9144 57  58516 303281018      29 921        C-13-H3C-13-H2C-13-N
  172537.1950  0.0077 -6.6252 3  613.4970129  58516 30364 460      63 657        C-13-H3C-13-H2C-13-N
  172543.5140  0.0300 -4.6470 3    9.0384 15 -58516 303 7 3 4       6 2 5        C-13-H3C-13-H2C-13-N
  172609.4020  0.0300 -4.3315 3  162.7866 67 -58516 30333 331      33 232        C-13-H3C-13-H2C-13-N
  172843.1750  0.0500 -4.0114 3   59.3020 43 -58516 30321 021      20 120        C-13-H3C-13-H2C-13-N
  172855.4648  0.0027 -5.2057 3  509.0182115  58516 30357 751      56 848        C-13-H3C-13-H2C-13-N
  172947.7548  0.0040 -6.8655 3  381.7027 97  58516 30348 840      49 643        C-13-H3C-13-H2C-13-N
  173040.8970  0.0300 -4.4333 3   31.7233 31 -58516 30315 214      14 113        C-13-H3C-13-H2C-13-N
  173118.4860  0.0300 -3.1758 3  115.1682 41 -58516 30320 911      19 910        C-13-H3C-13-H2C-13-N
  173118.4860  0.0300 -3.1758 3  115.1682 41 -58516 30320 912      19 911        C-13-H3C-13-H2C-13-N
  173120.9570  0.0300 -3.1269 3  102.5238 41 -58516 30320 813      19 812        C-13-H3C-13-H2C-13-N
  173120.9570  0.0300 -3.1269 3  102.5238 41 -58516 30320 812      19 811        C-13-H3C-13-H2C-13-N
  173129.2420  0.0300 -3.2318 3  129.2903 41 -58516 303201010      1910 9        C-13-H3C-13-H2C-13-N
  173129.2420  0.0300 -3.2318 3  129.2903 41 -58516 303201011      191010        C-13-H3C-13-H2C-13-N
  173142.7870  0.0500 -3.0846 3   91.3616 41 -58516 30320 714      19 713        C-13-H3C-13-H2C-13-N
  173142.7870  0.0500 -3.0846 3   91.3616 41 -58516 30320 713      19 712        C-13-H3C-13-H2C-13-N
  173149.8390  0.0300 -3.2957 3  144.8857 41 -58516 3032011 9      1911 8        C-13-H3C-13-H2C-13-N
  173149.8390  0.0300 -3.2957 3  144.8857 41 -58516 303201110      1911 9        C-13-H3C-13-H2C-13-N
  173178.2450  0.0300 -3.3685 3  161.9497 41 -58516 3032012 8      1912 7        C-13-H3C-13-H2C-13-N
  173178.2450  0.0300 -3.3685 3  161.9497 41 -58516 3032012 9      1912 8        C-13-H3C-13-H2C-13-N
  173195.9950  0.0300 -3.0484 3   81.6864 41 -58516 30320 615      19 614        C-13-H3C-13-H2C-13-N
  173195.9950  0.0300 -3.0484 3   81.6864 41 -58516 30320 614      19 613        C-13-H3C-13-H2C-13-N
  173213.1460  0.0300 -3.4515 3  180.4775 41 -58516 3032013 7      1913 6        C-13-H3C-13-H2C-13-N
  173213.1460  0.0300 -3.4515 3  180.4775 41 -58516 3032013 8      1913 7        C-13-H3C-13-H2C-13-N
  173253.7280  0.0300 -3.5469 3  200.4638 41 -58516 3032014 6      1914 5        C-13-H3C-13-H2C-13-N
  173253.7280  0.0300 -3.5469 3  200.4638 41 -58516 3032014 7      1914 6        C-13-H3C-13-H2C-13-N
  173254.5852  0.0540 -6.9111 3 1258.2125183  58516 30391 883      91 884        C-13-H3C-13-H2C-13-N
  173268.6034  0.0051 -6.3098 3 1062.6201149  58516 303741955      751858        C-13-H3C-13-H2C-13-N
  173268.6034  0.0051 -6.3098 3 1062.6201149  58516 303741956      751857        C-13-H3C-13-H2C-13-N
  173294.1963  0.0021 -5.0232 3  246.2383 67  58516 303331123      341024        C-13-H3C-13-H2C-13-N
  173294.1964  0.0021 -5.0232 3  246.2383 67  58516 303331122      341025        C-13-H3C-13-H2C-13-N
  173299.3980  0.0500 -3.6580 3  221.9032 41 -58516 3032015 5      1915 4        C-13-H3C-13-H2C-13-N
  173299.3980  0.0500 -3.6580 3  221.9032 41 -58516 3032015 6      1915 5        C-13-H3C-13-H2C-13-N
  173304.1560  0.0300 -3.0179 3   73.5048 41 -58516 30320 516      19 515        C-13-H3C-13-H2C-13-N
  173309.8040  0.0300 -3.0178 3   73.5051 41 -58516 30320 515      19 514        C-13-H3C-13-H2C-13-N
  173311.7610  0.0300 -2.9750 3   61.6128 41 -58516 30320 318      19 317        C-13-H3C-13-H2C-13-N
  173349.7640  0.0500 -3.7901 3  244.7898 41 -58516 3032016 4      1916 3        C-13-H3C-13-H2C-13-N
  173349.7640  0.0500 -3.7901 3  244.7898 41 -58516 3032016 5      1916 4        C-13-H3C-13-H2C-13-N
  173354.1413  0.0027 -5.3663 3  606.6572125  58516 30362 854      61 953        C-13-H3C-13-H2C-13-N
  173404.5410  0.0500 -3.9535 3  269.1175 41 -58516 3032017 3      1917 2        C-13-H3C-13-H2C-13-N
  173404.5410  0.0500 -3.9535 3  269.1175 41 -58516 3032017 4      1917 3        C-13-H3C-13-H2C-13-N
  173463.4780  0.0500 -4.1714 3  294.8796 41 -58516 3032018 2      1918 1        C-13-H3C-13-H2C-13-N
  173463.4780  0.0500 -4.1714 3  294.8796 41 -58516 3032018 3      1918 2        C-13-H3C-13-H2C-13-N
  173476.9830  0.0500 -2.9928 3   66.8250 41 -58516 30320 417      19 416        C-13-H3C-13-H2C-13-N
  173526.3037  0.0017 -4.5174 3  322.0695 41  58516 3032019 1      1919 0        C-13-H3C-13-H2C-13-N
  173526.3037  0.0017 -4.5174 3  322.0695 41  58516 3032019 2      1919 1        C-13-H3C-13-H2C-13-N
  173616.8840  0.0500 -2.9921 3   66.8345 41 -58516 30320 416      19 415        C-13-H3C-13-H2C-13-N
  173951.8800  0.0300 -4.2017 3  205.6644 73 -58516 30336 531      36 432        C-13-H3C-13-H2C-13-N
  174176.6790  0.0300 -4.2248 3  178.3008 69 -58516 30334 431      34 332        C-13-H3C-13-H2C-13-N
  174200.2973  0.0095 -6.0042 3  651.4627133  58516 30366 562      65 659        C-13-H3C-13-H2C-13-N
  174224.4890  0.0300 -2.9525 3   56.5661 41 -58516 30320 119      19 118        C-13-H3C-13-H2C-13-N
  174280.7250  0.0300 -4.7560 3  645.6493131 -58516 30365 659      65 560        C-13-H3C-13-H2C-13-N
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  174283.5663  0.0021 -5.0858 3  315.2534 77  58516 303381226      391129        C-13-H3C-13-H2C-13-N
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  174559.0236  0.0066 -6.5632 3 1202.2670159  58516 303792059      801962        C-13-H3C-13-H2C-13-N
  174559.0236  0.0066 -6.5632 3 1202.2670159  58516 303792060      801961        C-13-H3C-13-H2C-13-N
  174561.7608  0.0035 -6.8887 3   73.4629 41  58516 30320 516      21 319        C-13-H3C-13-H2C-13-N
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  174585.0102  0.0078 -6.5947 3 1274.6398179  58516 303891376      881475        C-13-H3C-13-H2C-13-N
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  175919.9929  0.0094 -6.8362 3 1350.5074169  58516 303842164      852065        C-13-H3C-13-H2C-13-N
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  176266.4770  0.0300 -5.2964 3  479.3293 97 -58516 303481435      491336        C-13-H3C-13-H2C-13-N
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  176473.1568  0.0025 -5.8851 3   29.0282 15  58516 303 7 6 1       8 5 4        C-13-H3C-13-H2C-13-N
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  178042.2231  0.0034 -5.5643 3  732.3072137  58516 30368 960      671057        C-13-H3C-13-H2C-13-N
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  178326.9990  0.0300 -5.6055 3  678.0763117 -58516 303581643      591544        C-13-H3C-13-H2C-13-N
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  178853.8178  0.0027 -5.0828 3   85.8753 35  58516 30317 8 9      18 712        C-13-H3C-13-H2C-13-N
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  179410.0784  0.0034 -5.7936 3  790.4267127  58516 303631747      641648        C-13-H3C-13-H2C-13-N
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  179937.0400  0.0300 -4.9907 3  127.3566 45 -58516 30322 913      23 816        C-13-H3C-13-H2C-13-N
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  180387.8150  0.0300 -5.0606 3  435.1309107 -58516 30353 648      52 745        C-13-H3C-13-H2C-13-N
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  180539.5428  0.0040 -6.0030 3  911.4133137  58516 303681851      691752        C-13-H3C-13-H2C-13-N
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  180969.9560  0.0300 -4.9649 3  177.5396 55 -58516 303271017      28 920        C-13-H3C-13-H2C-13-N
  180986.6470  0.0300 -4.5313 3  138.4057 63 -58516 30331 230      31 131        C-13-H3C-13-H2C-13-N
  181073.7524  0.0088 -5.8983 3  632.3316131  58516 30365 561      64 658        C-13-H3C-13-H2C-13-N
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  181238.9467  0.0053 -6.0330 3  996.0989159  58516 303791168      781267        C-13-H3C-13-H2C-13-N
  181348.1460  0.0300 -4.5839 3   11.0552 17 -58516 303 8 3 5       7 2 6        C-13-H3C-13-H2C-13-N
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  181722.9363  0.0049 -6.2330 3 1041.0236147  58516 303731954      741857        C-13-H3C-13-H2C-13-N
  181722.9363  0.0049 -6.2330 3 1041.0236147  58516 303731955      741856        C-13-H3C-13-H2C-13-N
  181777.8020  0.0300 -3.1144 3  120.9428 43 -58516 30321 912      20 911        C-13-H3C-13-H2C-13-N
  181777.8020  0.0300 -3.1144 3  120.9428 43 -58516 30321 913      20 912        C-13-H3C-13-H2C-13-N
  181783.9820  0.0500 -3.0680 3  108.2985 43 -58516 30321 813      20 812        C-13-H3C-13-H2C-13-N
  181783.9820  0.0500 -3.0680 3  108.2985 43 -58516 30321 814      20 813        C-13-H3C-13-H2C-13-N
  181786.5650  0.0300 -3.1673 3  135.0653 43 -58516 303211011      201010        C-13-H3C-13-H2C-13-N
  181786.5650  0.0300 -3.1673 3  135.0653 43 -58516 303211012      201011        C-13-H3C-13-H2C-13-N
  181806.3440  0.0300 -3.2273 3  150.6613 43 -58516 303211110      2011 9        C-13-H3C-13-H2C-13-N
  181806.3440  0.0300 -3.2273 3  150.6613 43 -58516 303211111      201110        C-13-H3C-13-H2C-13-N
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  181812.2390  0.0500 -3.0277 3   97.1370 43 -58516 30321 714      20 713        C-13-H3C-13-H2C-13-N
  181834.7140  0.0300 -3.2951 3  167.7263 43 -58516 3032112 9      2012 8        C-13-H3C-13-H2C-13-N
  181834.7140  0.0300 -3.2951 3  167.7263 43 -58516 303211210      2012 9        C-13-H3C-13-H2C-13-N
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  181870.2710  0.0500 -3.3717 3  186.2552 43 -58516 3032113 9      2013 8        C-13-H3C-13-H2C-13-N
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  181911.9776  0.0015 -3.4586 3  206.2429 43  58516 3032114 7      2014 6        C-13-H3C-13-H2C-13-N
  181911.9776  0.0015 -3.4586 3  206.2429 43  58516 3032114 8      2014 7        C-13-H3C-13-H2C-13-N
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  182011.5040  0.0015 -3.6724 3  250.5722 43  58516 3032116 6      2016 5        C-13-H3C-13-H2C-13-N
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  182130.0330  0.0500 -3.9752 3  300.6657 43 -58516 3032118 4      2018 3        C-13-H3C-13-H2C-13-N
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  190228.5990  0.0300 -4.5252 3   13.3591 19 -58516 303 9 3 6       8 2 7        C-13-H3C-13-H2C-13-N
  190249.5255  0.0031 -5.3490 3  642.8105129  58516 30364 857      63 954        C-13-H3C-13-H2C-13-N
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  190376.1682  0.0071 -4.5229 3  156.3258 67  58516 30333 132      33 033        C-13-H3C-13-H2C-13-N
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  190437.6420  0.0300 -3.0581 3  127.0063 45 -58516 30322 914      21 913        C-13-H3C-13-H2C-13-N
  190438.5479  0.0057 -6.0319 3 1018.8677161  58516 303801170      791267        C-13-H3C-13-H2C-13-N
  190444.0190  0.0300 -3.1085 3  141.1290 45 -58516 303221012      211011        C-13-H3C-13-H2C-13-N
  190444.0190  0.0300 -3.1085 3  141.1290 45 -58516 303221013      211012        C-13-H3C-13-H2C-13-N
  190448.0330  0.0300 -3.0138 3  114.3622 45 -58516 30322 815      21 814        C-13-H3C-13-H2C-13-N
  190448.0330  0.0300 -3.0138 3  114.3622 45 -58516 30322 814      21 813        C-13-H3C-13-H2C-13-N
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  190477.4100  0.0025 -6.7614 3   13.3508 19  58516 303 9 3 6       9 1 9        C-13-H3C-13-H2C-13-N
  190483.4380  0.0300 -2.9751 3  103.2016 45 -58516 30322 716      21 715        C-13-H3C-13-H2C-13-N
  190483.4380  0.0300 -2.9751 3  103.2016 45 -58516 30322 715      21 714        C-13-H3C-13-H2C-13-N
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  190526.8630  0.0300 -3.3007 3  192.3218 45 -58516 303221310      2113 9        C-13-H3C-13-H2C-13-N
  190547.8918  0.0057 -6.0314 3 1018.8676161  58516 303801169      791268        C-13-H3C-13-H2C-13-N
  190559.8100  0.0300 -2.9419 3   93.5304 45 -58516 30322 617      21 616        C-13-H3C-13-H2C-13-N
  190559.8100  0.0300 -2.9419 3   93.5304 45 -58516 30322 616      21 615        C-13-H3C-13-H2C-13-N
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  191068.8945  0.0018 -4.5078 3    8.4439  9  58516 303 4 4 0       3 3 1        C-13-H3C-13-H2C-13-N
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  191100.9653  0.0311 -6.3971 3 1021.0028165  58516 30382 775      82 776        C-13-H3C-13-H2C-13-N
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  192639.9358  0.0087 -6.6730 3 1301.8995165  58516 303822162      832063        C-13-H3C-13-H2C-13-N
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  198314.4156  0.0024 -4.9193 3  161.6568 51  58516 303251015      26 918        C-13-H3C-13-H2C-13-N
  198314.4156  0.0024 -4.9193 3  161.6568 51  58516 303251016      26 917        C-13-H3C-13-H2C-13-N
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  198414.5645  0.0038 -5.5407 3  771.8781141  58516 30370 961      691060        C-13-H3C-13-H2C-13-N
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  198516.7590  0.0300 -4.0833 3  129.3687 57 -58516 30328 524      28 425        C-13-H3C-13-H2C-13-N
  198634.7003  0.0045 -6.0874 3  998.6860143  58516 303711952      721855        C-13-H3C-13-H2C-13-N
  198634.7003  0.0045 -6.0874 3  998.6860143  58516 303711953      721854        C-13-H3C-13-H2C-13-N
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  198670.6380  0.0300 -4.0843 3  121.2573 55 -58516 30327 523      27 424        C-13-H3C-13-H2C-13-N
  198692.6960  0.0300 -4.2832 3  375.0751 99 -58516 30349 643      49 544        C-13-H3C-13-H2C-13-N
  198770.2300  0.0057 -6.5126 3  356.0040 95  58516 30347 741      48 444        C-13-H3C-13-H2C-13-N
  198818.6520  0.0300 -4.6548 3  244.3874 81 -58516 30340 436      39 535        C-13-H3C-13-H2C-13-N
  198842.8670  0.0300 -4.1119 3   85.0864 45 -58516 30322 517      22 418        C-13-H3C-13-H2C-13-N
  198854.1110  0.0300 -4.0865 3  113.4361 53 -58516 30326 522      26 423        C-13-H3C-13-H2C-13-N
  198950.3950  0.0300 -2.8155 3   74.8287 47 -58516 30323 122      22 121        C-13-H3C-13-H2C-13-N
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  199101.5830  0.0300 -3.0546 3  147.4816 47 -58516 303231014      221013        C-13-H3C-13-H2C-13-N
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  199113.1620  0.0500 -2.9638 3  120.7149 47 -58516 30323 815      22 814        C-13-H3C-13-H2C-13-N
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  199118.8360  0.0300 -3.1088 3  163.0789 47 -58516 303231113      221112        C-13-H3C-13-H2C-13-N
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  204179.5570  0.0300 -4.2829 3  123.9657 59 -58516 30329 227      28 326        C-13-H3C-13-H2C-13-N
  204280.0340  0.0033 -6.3776 3   26.1983 27  58516 30313 310      13 113        C-13-H3C-13-H2C-13-N
  204296.5202  0.0037 -6.7059 3  121.3965 53  58516 30326 620      27 423        C-13-H3C-13-H2C-13-N
  204364.2794  0.0328 -6.3953 3 1044.8866167  58516 30383 776      83 777        C-13-H3C-13-H2C-13-N
  204529.1700  0.0300 -4.4262 3   18.9462 23 -58516 30311 3 9      10 2 8        C-13-H3C-13-H2C-13-N
  204694.5358  0.0085 -6.4854 3  677.6559135  58516 30367 562      66 759        C-13-H3C-13-H2C-13-N
  204720.8853  0.0021 -5.3183 3  148.6121 63  58516 30331 428      31 229        C-13-H3C-13-H2C-13-N
  204752.4520  0.0300 -2.7884 3   82.0647 49 -58516 30324 223      23 222        C-13-H3C-13-H2C-13-N
  204853.8716  0.0027 -5.1481 3   71.1506 29  58516 30314 8 6      15 7 9        C-13-H3C-13-H2C-13-N
  204853.8716  0.0027 -5.1481 3   71.1506 29  58516 30314 8 7      15 7 8        C-13-H3C-13-H2C-13-N
  204920.5643  0.0033 -5.0414 3  482.1550113  58516 30356 651      55 748        C-13-H3C-13-H2C-13-N
  205014.6628  0.0031 -5.5998 3  735.9359121  58516 303601743      611646        C-13-H3C-13-H2C-13-N
  205014.6628  0.0031 -5.5998 3  735.9359121  58516 303601744      611645        C-13-H3C-13-H2C-13-N
  205193.4084  0.0048 -6.6475 3   98.4675 49  58516 30324 520      25 223        C-13-H3C-13-H2C-13-N
  205328.3412  0.0061 -5.3755 3  523.8405119  58516 30359 555      58 652        C-13-H3C-13-H2C-13-N
  205411.0448  0.0076 -6.3163 3 1204.4859175  58516 303871276      861373        C-13-H3C-13-H2C-13-N
  205424.9348  0.0051 -5.1971 3  473.7076113  58516 30356 552      55 649        C-13-H3C-13-H2C-13-N
  205459.4152  0.0076 -6.3161 3 1204.4858175  58516 303871275      861374        C-13-H3C-13-H2C-13-N
  205464.3212  0.0025 -6.3630 3   15.7413 21  58516 30310 3 7      10 010        C-13-H3C-13-H2C-13-N
  205681.5053  0.0034 -6.6357 3  222.0587 73  58516 30336 730      37 533        C-13-H3C-13-H2C-13-N
  205681.6890  0.0300 -4.1459 3  261.0158 83 -58516 30341 537      41 438        C-13-H3C-13-H2C-13-N
  205737.1170  0.0300 -4.1171 3   62.3776 43 -58516 30321 220      20 119        C-13-H3C-13-H2C-13-N
  205948.2212  0.0027 -4.9744 3  108.2985 39  58516 30319 910      20 813        C-13-H3C-13-H2C-13-N
  205948.2212  0.0027 -4.9744 3  108.2985 39  58516 30319 911      20 812        C-13-H3C-13-H2C-13-N
  206032.1422  0.0037 -5.7984 3  852.6250131  58516 303651847      661750        C-13-H3C-13-H2C-13-N
  206032.1422  0.0037 -5.7984 3  852.6250131  58516 303651848      661749        C-13-H3C-13-H2C-13-N
  206034.8286  0.0019 -5.1408 3  242.3055 81  58516 30340 437      40 238        C-13-H3C-13-H2C-13-N
  206067.3450  0.0300 -4.3274 3  330.1562 95 -58516 30347 344      47 245        C-13-H3C-13-H2C-13-N
  206209.1860  0.0300 -4.2958 3  224.3700 79 -58516 30339 337      39 238        C-13-H3C-13-H2C-13-N
  206263.1915  0.0058 -5.3094 3  506.8229117  58516 30358 554      57 651        C-13-H3C-13-H2C-13-N
  206289.8408  0.0055 -5.2499 3  490.1118115  58516 30357 553      56 650        C-13-H3C-13-H2C-13-N
  206312.8006  0.0078 -4.4933 3  175.3419 71  58516 30335 234      35 135        C-13-H3C-13-H2C-13-N
  206386.8597  0.0078 -5.2476 3  175.3394 71  58516 30335 234      35 035        C-13-H3C-13-H2C-13-N
  206558.8150  0.0063 -5.6226 3  619.7416129  58516 30364 559      64 560        C-13-H3C-13-H2C-13-N
  206639.0835  0.0042 -5.5423 3  792.1015143  58516 30371 963      701060        C-13-H3C-13-H2C-13-N
  206663.3660  0.0300 -3.8155 3   84.2480 51 -58516 30325 025      24 124        C-13-H3C-13-H2C-13-N
  206689.5122  0.0140 -5.1225 3  925.9834157  58516 30378 771      78 672        C-13-H3C-13-H2C-13-N
  206896.6865  0.0040 -4.6559 3  651.4627131  58516 30365 758      65 659        C-13-H3C-13-H2C-13-N
  206955.1873  0.0037 -6.7177 3  339.7879 91  58516 30345 837      46 640        C-13-H3C-13-H2C-13-N
  206979.4991  0.0025 -4.9038 3  154.1489 49  58516 303241014      25 917        C-13-H3C-13-H2C-13-N
  206979.4991  0.0025 -4.9038 3  154.1489 49  58516 303241015      25 916        C-13-H3C-13-H2C-13-N
  207006.3912  0.0023 -5.3500 3  139.5559 61  58516 30330 427      30 228        C-13-H3C-13-H2C-13-N
  207015.5217  0.0308 -6.3991 3  932.8778159  58516 30379 674      78 771        C-13-H3C-13-H2C-13-N
  207092.3128  0.0044 -6.0183 3  977.9451141  58516 303701951      711854        C-13-H3C-13-H2C-13-N
  207092.3128  0.0044 -6.0183 3  977.9451141  58516 303701952      711853        C-13-H3C-13-H2C-13-N
  207101.6260  0.0300 -2.7763 3   81.4650 49 -58516 30324 123      23 122        C-13-H3C-13-H2C-13-N
  207178.6440  0.0300 -4.2209 3  346.5488 95 -58516 30347 641      47 542        C-13-H3C-13-H2C-13-N
  207184.4878  0.0042 -5.1100 3  224.3375 79  58516 30339 337      39 138        C-13-H3C-13-H2C-13-N
  207252.4116  0.0026 -6.1891 3   18.8627 23  58516 30311 3 8      11 011        C-13-H3C-13-H2C-13-N
  207255.8149  0.0034 -4.7656 3   22.5709 27  58516 30313 211      12 112        C-13-H3C-13-H2C-13-N
  207372.3242  0.0032 -4.7739 3  339.6316 95  58516 30347 542      46 641        C-13-H3C-13-H2C-13-N
  207432.0090  0.0300 -2.7615 3   84.2480 51 -58516 30325 125      24 124        C-13-H3C-13-H2C-13-N
  207463.3630  0.0300 -4.1545 3  273.1352 85 -58516 30342 538      42 439        C-13-H3C-13-H2C-13-N
  207623.0740  0.0300 -2.7606 3   84.2160 51 -58516 30325 025      24 024        C-13-H3C-13-H2C-13-N
  207758.8065  0.0013 -2.9587 3  139.9998 49  58516 30324 915      23 914        C-13-H3C-13-H2C-13-N
  207758.7930  0.0500 -2.9587 3  139.9998 49 -58516 30324 916      23 915        C-13-H3C-13-H2C-13-N
  207759.2645  0.0013 -3.0051 3  154.1229 49  58516 303241014      231013        C-13-H3C-13-H2C-13-N
  207759.2645  0.0013 -3.0051 3  154.1229 49  58516 303241015      231014        C-13-H3C-13-H2C-13-N
  207759.8030  0.0500 -2.7884 3   86.4632 49 -58516 30324 322      23 321        C-13-H3C-13-H2C-13-N
  207774.7900  0.0300 -3.0571 3  169.7208 49 -58516 303241113      231112        C-13-H3C-13-H2C-13-N
  207774.7900  0.0300 -3.0571 3  169.7208 49 -58516 303241114      231113        C-13-H3C-13-H2C-13-N
  207779.3380  0.0300 -2.9176 3  127.3566 49 -58516 30324 817      23 816        C-13-H3C-13-H2C-13-N
  207779.3380  0.0300 -2.9176 3  127.3566 49 -58516 30324 816      23 815        C-13-H3C-13-H2C-13-N
  207801.9080  0.0300 -3.1150 3  186.7886 49 -58516 303241212      231211        C-13-H3C-13-H2C-13-N
  207801.9080  0.0300 -3.1150 3  186.7886 49 -58516 303241213      231212        C-13-H3C-13-H2C-13-N
  207831.5040  0.0500 -2.8816 3  116.1986 49 -58516 30324 718      23 717        C-13-H3C-13-H2C-13-N
  207831.5040  0.0500 -2.8816 3  116.1986 49 -58516 30324 717      23 716        C-13-H3C-13-H2C-13-N
  207838.3510  0.0500 -3.1794 3  205.3211 49 -58516 303241311      231310        C-13-H3C-13-H2C-13-N
  207838.3510  0.0500 -3.1794 3  205.3211 49 -58516 303241312      231311        C-13-H3C-13-H2C-13-N
  207882.7230  0.0500 -3.2507 3  225.3131 49 -58516 303241410      2314 9        C-13-H3C-13-H2C-13-N
  207882.7230  0.0500 -3.2507 3  225.3131 49 -58516 303241411      231410        C-13-H3C-13-H2C-13-N
  207934.0520  0.0500 -3.3296 3  246.7589 49 -58516 3032415 9      2315 8        C-13-H3C-13-H2C-13-N
  207934.0520  0.0500 -3.3296 3  246.7589 49 -58516 303241510      2315 9        C-13-H3C-13-H2C-13-N
  207935.8680  0.0500 -2.8504 3  106.5329 49 -58516 30324 619      23 618        C-13-H3C-13-H2C-13-N
  207936.8380  0.0500 -2.8504 3  106.5329 49 -58516 30324 618      23 617        C-13-H3C-13-H2C-13-N
  207961.9263  0.0023 -4.8938 3  208.6984 59  58516 303291118      301021        C-13-H3C-13-H2C-13-N
  207961.9263  0.0023 -4.8938 3  208.6984 59  58516 303291119      301020        C-13-H3C-13-H2C-13-N
  207991.5950  0.0500 -3.4172 3  269.6526 49 -58516 3032416 8      2316 7        C-13-H3C-13-H2C-13-N
  207991.5950  0.0500 -3.4172 3  269.6526 49 -58516 3032416 9      2316 8        C-13-H3C-13-H2C-13-N
  208054.9210  0.0500 -3.5149 3  293.9880 49 -58516 3032417 7      2317 6        C-13-H3C-13-H2C-13-N
  208054.9210  0.0500 -3.5149 3  293.9880 49 -58516 3032417 8      2317 7        C-13-H3C-13-H2C-13-N
  208123.6290  0.0500 -3.6248 3  319.7585 49 -58516 3032418 6      2318 5        C-13-H3C-13-H2C-13-N
  208123.6290  0.0500 -3.6248 3  319.7585 49 -58516 3032418 7      2318 6        C-13-H3C-13-H2C-13-N
  208126.7630  0.0300 -2.8239 3   98.3696 49 -58516 30324 520      23 519        C-13-H3C-13-H2C-13-N
  208155.8500  0.0300 -2.8238 3   98.3715 49 -58516 30324 519      23 518        C-13-H3C-13-H2C-13-N
  208197.4180  0.0300 -3.7501 3  346.9572 49 -58516 3032419 5      2319 4        C-13-H3C-13-H2C-13-N
  208197.4180  0.0300 -3.7501 3  346.9572 49 -58516 3032419 6      2319 5        C-13-H3C-13-H2C-13-N
  208202.6903  0.0055 -6.2587 3 1111.8835151  58516 303752055      761958        C-13-H3C-13-H2C-13-N
  208202.6903  0.0055 -6.2587 3 1111.8835151  58516 303752056      761957        C-13-H3C-13-H2C-13-N
  208276.0660  0.0300 -3.8963 3  375.5771 49 -58516 3032420 4      2320 3        C-13-H3C-13-H2C-13-N
  208276.0660  0.0300 -3.8963 3  375.5771 49 -58516 3032420 5      2320 4        C-13-H3C-13-H2C-13-N
  208311.1137  0.0016 -4.4205 3   18.8273 23  58516 30311 3 8      10 2 9        C-13-H3C-13-H2C-13-N
  208320.1176  0.0041 -5.5349 3  792.0980143  58516 30371 962      701061        C-13-H3C-13-H2C-13-N
  208341.6270  0.0300 -2.8021 3   91.7156 49 -58516 30324 421      23 420        C-13-H3C-13-H2C-13-N
  208359.4230  0.0500 -4.0737 3  405.6107 49 -58516 3032421 3      2321 2        C-13-H3C-13-H2C-13-N
  208359.4230  0.0500 -4.0737 3  405.6107 49 -58516 3032421 4      2321 3        C-13-H3C-13-H2C-13-N
  208367.4643  0.0018 -4.4118 3   11.0410 13  58516 303 6 4 3       5 3 2        C-13-H3C-13-H2C-13-N
  208369.5570  0.0018 -4.4118 3   11.0409 13  58516 303 6 4 2       5 3 3        C-13-H3C-13-H2C-13-N
  208391.7120  0.0300 -3.8080 3   84.2160 51 -58516 30325 125      24 024        C-13-H3C-13-H2C-13-N
  208447.2660  0.0500 -4.3053 3  437.0501 49 -58516 3032422 2      2322 1        C-13-H3C-13-H2C-13-N
  208447.2660  0.0500 -4.3053 3  437.0501 49 -58516 3032422 3      2322 2        C-13-H3C-13-H2C-13-N
  208463.3182  0.0036 -6.6914 3  121.2573 53  58516 30326 621      27 424        C-13-H3C-13-H2C-13-N
  208539.5272  0.0022 -4.6650 3  469.8875 49  58516 3032423 1      2323 0        C-13-H3C-13-H2C-13-N
  208539.5272  0.0022 -4.6650 3  469.8875 49  58516 3032423 2      2323 1        C-13-H3C-13-H2C-13-N
  208717.1437  0.0020 -5.1316 3  254.0538 83  58516 30341 438      41 239        C-13-H3C-13-H2C-13-N
  208819.3420  0.0500 -2.8002 3   91.7572 49 -58516 30324 420      23 419        C-13-H3C-13-H2C-13-N
  208876.6787  0.0037 -6.3128 3   30.1019 29  58516 30314 311      14 114        C-13-H3C-13-H2C-13-N
  208909.3890  0.0300 -4.9272 3  271.9425 69 -58516 303341222      351125        C-13-H3C-13-H2C-13-N
  208909.3890  0.0300 -4.9272 3  271.9425 69 -58516 303341223      351124        C-13-H3C-13-H2C-13-N
  208917.2470  0.0300 -4.2283 3  278.5666 87 -58516 30343 440      43 341        C-13-H3C-13-H2C-13-N
  209097.4337  0.0065 -6.0367 3 1065.2655165  58516 303821172      811269        C-13-H3C-13-H2C-13-N
  209192.1537  0.0053 -5.1324 3  247.0759 83  58516 30341 239      41 240        C-13-H3C-13-H2C-13-N
  209276.7998  0.0064 -6.0360 3 1065.2652165  58516 303821171      811270        C-13-H3C-13-H2C-13-N
  209310.0956  0.0036 -5.3329 3  680.1221133  58516 30366 859      65 956        C-13-H3C-13-H2C-13-N
  209370.1930  0.0080 -6.5194 3 1254.4266161  58516 303802159      812062        C-13-H3C-13-H2C-13-N
  209370.1930  0.0080 -6.5194 3 1254.4266161  58516 303802160      812061        C-13-H3C-13-H2C-13-N
  209483.4940  0.0300 -4.1635 3  285.5353 87 -58516 30343 539      43 440        C-13-H3C-13-H2C-13-N
  209524.8982  0.0027 -6.0390 3   22.2591 25  58516 30312 3 9      12 012        C-13-H3C-13-H2C-13-N
  209664.3489  0.0025 -5.3842 3  130.7764 59  58516 30329 426      29 227        C-13-H3C-13-H2C-13-N
  209815.9209  0.0033 -5.1582 3  576.7936123  58516 30361 755      60 852        C-13-H3C-13-H2C-13-N
  209827.4880  0.0300 -4.0065 3   96.0019 53 -58516 30326 125      25 224        C-13-H3C-13-H2C-13-N
  209828.4839  0.0053 -4.3236 3  247.0546 83  58516 30341 239      41 140        C-13-H3C-13-H2C-13-N
  209835.0590  0.0300 -4.9954 3  343.8755 79 -58516 303391326      401229        C-13-H3C-13-H2C-13-N
  209835.0590  0.0300 -4.9954 3  343.8755 79 -58516 303391327      401228        C-13-H3C-13-H2C-13-N
  210750.9493  0.0022 -5.0933 3  424.4906 89  58516 303441431      451332        C-13-H3C-13-H2C-13-N
  210750.9494  0.0022 -5.0933 3  424.4906 89  58516 303441430      451333        C-13-H3C-13-H2C-13-N
  210766.7290  0.0088 -4.8576 3  765.3060143  58516 30371 665      71 566        C-13-H3C-13-H2C-13-N
  210808.7992  0.0094 -6.6278 3 1378.7285187  58516 303931381      921478        C-13-H3C-13-H2C-13-N
  210824.9138  0.0094 -6.6278 3 1378.7284187  58516 303931380      921479        C-13-H3C-13-H2C-13-N
  210909.2996  0.0085 -5.2467 3  185.2558 73  58516 30336 135      36 136        C-13-H3C-13-H2C-13-N
  210967.4175  0.0085 -4.4940 3  185.2539 73  58516 30336 135      36 036        C-13-H3C-13-H2C-13-N
  211112.8217  0.0034 -6.6300 3  211.4668 71  58516 30335 728      36 531        C-13-H3C-13-H2C-13-N
  211133.2042  0.0092 -6.4885 3  697.2545137  58516 30368 563      67 760        C-13-H3C-13-H2C-13-N
  211134.6750  0.0300 -2.7752 3   86.9296 49 -58516 30324 321      23 320        C-13-H3C-13-H2C-13-N
  211178.7510  0.0300 -4.1914 3  332.7437 93 -58516 30346 640      46 541        C-13-H3C-13-H2C-13-N
  211224.6961  0.0049 -6.4585 3  201.8845 71  58516 30335 630      36 333        C-13-H3C-13-H2C-13-N
  211256.9540  0.0038 -4.6136 3  632.3316129  58516 30364 757      64 658        C-13-H3C-13-H2C-13-N
  211274.4730  0.0300 -4.0703 3   68.4657 45 -58516 30322 221      21 120        C-13-H3C-13-H2C-13-N
  211393.9540  0.0990 -4.4283 3  455.7037111 -58516 30355 451      55 352        C-13-H3C-13-H2C-13-N
  211624.3124  0.0037 -6.6999 3  339.6316 91  58516 30345 838      46 641        C-13-H3C-13-H2C-13-N
  211668.4144  0.0024 -5.2181 3  513.7800 99  58516 303491534      501437        C-13-H3C-13-H2C-13-N
  211668.4144  0.0024 -5.2181 3  513.7800 99  58516 303491535      501436        C-13-H3C-13-H2C-13-N
  211749.2160  0.0300 -4.1728 3  298.2154 89 -58516 30344 540      44 441        C-13-H3C-13-H2C-13-N
  211843.0683  0.0021 -5.1242 3  266.0688 85  58516 30342 439      42 240        C-13-H3C-13-H2C-13-N
  211933.2740  0.0300 -4.6118 3  600.8141127 -58516 30363 558      63 459        C-13-H3C-13-H2C-13-N
  212094.3423  0.0042 -5.1897 3  343.8634 97  58516 30348 345      48 346        C-13-H3C-13-H2C-13-N
  212125.0020  0.0300 -2.7614 3   84.0271 49 -58516 30324 222      23 221        C-13-H3C-13-H2C-13-N
  212135.2500  0.0300 -4.3813 3   22.1599 25 -58516 30312 310      11 2 9        C-13-H3C-13-H2C-13-N
  212231.6810  0.0046 -4.2935 3  235.5870 81  58516 30340 338      40 239        C-13-H3C-13-H2C-13-N
  212234.8814  0.0158 -5.1495 3  948.9969159  58516 30379 772      79 673        C-13-H3C-13-H2C-13-N
  212336.5351  0.0027 -5.7992 3   39.8209 17  58516 303 8 7 1       9 6 4        C-13-H3C-13-H2C-13-N
  212336.5351  0.0027 -5.7992 3   39.8209 17  58516 303 8 7 2       9 6 3        C-13-H3C-13-H2C-13-N
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  217010.9684  0.0018 -4.3622 3   12.7728 15  58516 303 7 4 4       6 3 3        C-13-H3C-13-H2C-13-N
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  217030.3480  0.0500 -3.9363 3  412.5608 51 -58516 3032521 5      2421 4        C-13-H3C-13-H2C-13-N
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  217056.3720  0.0300 -2.7626 3   98.6651 51 -58516 30325 422      24 421        C-13-H3C-13-H2C-13-N
  217121.5240  0.0500 -4.1170 3  444.0032 51 -58516 3032522 3      2422 2        C-13-H3C-13-H2C-13-N
  217121.5240  0.0500 -4.1170 3  444.0032 51 -58516 3032522 4      2422 3        C-13-H3C-13-H2C-13-N
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  217680.3450  0.0500 -2.7603 3   98.7227 51 -58516 30325 421      24 420        C-13-H3C-13-H2C-13-N
  217686.4131  0.0091 -5.2392 3  195.4415 75  58516 30337 136      37 137        C-13-H3C-13-H2C-13-N
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  217731.9721  0.0091 -4.4878 3  195.4400 75  58516 30337 136      37 037        C-13-H3C-13-H2C-13-N
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  217739.3358  0.0077 -6.4458 3 1231.1160159  58516 303792159      802060        C-13-H3C-13-H2C-13-N
  217758.0532  0.0036 -6.6788 3  326.4149 89  58516 30344 836      45 639        C-13-H3C-13-H2C-13-N
  217852.8043  0.0049 -6.7013 3   91.1028 47  58516 30323 519      24 222        C-13-H3C-13-H2C-13-N
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  218341.4820  0.0300 -4.2922 3  247.0759 83 -58516 30341 339      41 240        C-13-H3C-13-H2C-13-N
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  218468.3710  0.0300 -4.9574 3  332.3270 77 -58516 303381326      391227        C-13-H3C-13-H2C-13-N
  218470.2610  0.0300 -4.1370 3  306.0521 89 -58516 30344 638      44 539        C-13-H3C-13-H2C-13-N
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  218552.5388  0.0176 -5.1756 3  972.2708161  58516 30380 773      80 674        C-13-H3C-13-H2C-13-N
  218599.8279  0.0183 -5.4333 3 1126.3213173  58516 30386 878      86 779        C-13-H3C-13-H2C-13-N
  218701.4074  0.0069 -6.0419 3 1088.8941167  58516 303831172      821271        C-13-H3C-13-H2C-13-N
  218816.0708  0.0036 -5.1549 3  594.4697125  58516 30362 756      61 853        C-13-H3C-13-H2C-13-N
  218821.4027  0.0038 -5.3291 3  699.2143135  58516 30367 860      66 957        C-13-H3C-13-H2C-13-N
  218882.5110  0.0109 -5.2118 3 1003.3288163  58516 30381 873      81 774        C-13-H3C-13-H2C-13-N
  218920.4852  0.0127 -6.7231 3 1380.8259169  58516 303842262      852165        C-13-H3C-13-H2C-13-N
  218920.4852  0.0127 -6.7231 3 1380.8259169  58516 303842263      852164        C-13-H3C-13-H2C-13-N
  218977.7824  0.0048 -5.0991 3  247.0546 83  58516 30341 339      41 140        C-13-H3C-13-H2C-13-N
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  219168.4821  0.0090 -4.4824 3  195.4415 75  58516 30337 236      37 137        C-13-H3C-13-H2C-13-N
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  219356.8728  0.0031 -5.5009 3  106.1191 53  58516 30326 423      26 224        C-13-H3C-13-H2C-13-N
  219365.9867  0.0022 -5.0497 3  411.5010 87  58516 303431429      441332        C-13-H3C-13-H2C-13-N
  219365.9867  0.0022 -5.0497 3  411.5010 87  58516 303431430      441331        C-13-H3C-13-H2C-13-N
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  219716.9858  0.0045 -6.2129 3   38.7361 33  58516 30316 313      16 116        C-13-H3C-13-H2C-13-N
  219734.3504  0.0038 -5.0508 3  514.9891117  58516 30358 653      57 750        C-13-H3C-13-H2C-13-N
  219829.4307  0.0036 -5.7085 3   34.0871 31  58516 30315 312      15 015        C-13-H3C-13-H2C-13-N
  219838.2430  0.0300 -3.9497 3  103.3862 55 -58516 30327 126      26 225        C-13-H3C-13-H2C-13-N
  219917.9152  0.0098 -6.6421 3 1405.4616189  58516 303941382      931479        C-13-H3C-13-H2C-13-N
  219938.6365  0.0098 -6.6420 3 1405.4615189  58516 303941381      931480        C-13-H3C-13-H2C-13-N
  219973.8491  0.0111 -6.5300 3  737.3716141  58516 30370 565      69 762        C-13-H3C-13-H2C-13-N
  220062.5539  0.0023 -4.2028 3  337.9279 95  58516 30347 543      47 444        C-13-H3C-13-H2C-13-N
  220217.8388  0.0013 -2.7352 3   93.9723 51  58516 30325 322      24 321        C-13-H3C-13-H2C-13-N
  220260.7259  0.0024 -5.1694 3  499.3506 97  58516 303481533      491436        C-13-H3C-13-H2C-13-N
  220260.7259  0.0024 -5.1694 3  499.3506 97  58516 303481534      491435        C-13-H3C-13-H2C-13-N
  220639.1496  0.0047 -4.4282 3  471.7300113  58516 30356 452      56 353        C-13-H3C-13-H2C-13-N
  220720.2017  0.0035 -4.5290 3  594.9611125  58516 30362 755      62 656        C-13-H3C-13-H2C-13-N
  220786.1619  0.0013 -2.7239 3   91.1028 51  58516 30325 223      24 222        C-13-H3C-13-H2C-13-N
  220987.4029  0.0027 -6.1853 3   37.2234 15  58516 303 7 7 0       8 6 3        C-13-H3C-13-H2C-13-N
  220987.4029  0.0027 -6.1853 3   37.2234 15  58516 303 7 7 1       8 6 2        C-13-H3C-13-H2C-13-N
  221006.2617  0.0043 -5.1799 3  357.7391 99  58516 30349 346      49 347        C-13-H3C-13-H2C-13-N
  221086.2435  0.0208 -5.4737 3 1151.7315175  58516 30387 879      87 780        C-13-H3C-13-H2C-13-N
  221163.1558  0.0026 -5.3144 3  595.8674107  58516 303531637      541540        C-13-H3C-13-H2C-13-N
  221163.1558  0.0026 -5.3144 3  595.8674107  58516 303531638      541539        C-13-H3C-13-H2C-13-N
  221230.7682  0.0052 -4.6183 3  619.2522129  58516 30364 559      64 460        C-13-H3C-13-H2C-13-N
  221268.5094  0.0102 -5.1639 3  979.5609161  58516 30380 872      80 773        C-13-H3C-13-H2C-13-N
  221375.1272  0.0013 -2.7151 3   96.0019 53  58516 30326 225      25 224        C-13-H3C-13-H2C-13-N
  221440.0296  0.0036 -6.6654 3  326.2916 89  58516 30344 837      45 640        C-13-H3C-13-H2C-13-N
  221533.5490  0.0034 -6.6094 3  200.9985 69  58516 30334 727      35 530        C-13-H3C-13-H2C-13-N
  221708.3855  0.0019 -4.1121 3  293.1655 87  58516 30343 637      43 538        C-13-H3C-13-H2C-13-N
  221749.3958  0.0033 -4.7335 3  353.2627 97  58516 30348 543      47 642        C-13-H3C-13-H2C-13-N
  221777.1344  0.0039 -4.7507 3   26.1983 29  58516 30314 212      13 113        C-13-H3C-13-H2C-13-N
  222083.1023  0.0030 -5.4830 3  701.0416117  58516 303581741      591644        C-13-H3C-13-H2C-13-N
  222083.1023  0.0030 -5.4830 3  701.0416117  58516 303581742      591643        C-13-H3C-13-H2C-13-N
  222167.1383  0.0028 -5.2692 3   62.7789 25  58516 30312 8 4      13 7 7        C-13-H3C-13-H2C-13-N
  222167.1383  0.0028 -5.2692 3   62.7789 25  58516 30312 8 5      13 7 6        C-13-H3C-13-H2C-13-N
  222281.2882  0.0058 -5.7807 3  956.8502157  58516 303781069      771166        C-13-H3C-13-H2C-13-N
  222343.6616  0.0123 -6.5676 3  757.8894143  58516 30371 566      70 763        C-13-H3C-13-H2C-13-N
  222731.9838  0.0022 -3.9818 3   81.4650 49  58516 30324 223      23 122        C-13-H3C-13-H2C-13-N
  222980.4712  0.0032 -5.5443 3   98.4675 51  58516 30325 422      25 223        C-13-H3C-13-H2C-13-N
  223029.7016  0.0035 -5.6740 3  814.8629127  58516 303631845      641748        C-13-H3C-13-H2C-13-N
  223029.7016  0.0035 -5.6740 3  814.8629127  58516 303631846      641747        C-13-H3C-13-H2C-13-N
  223038.6924  0.0153 -6.6736 3  799.8389147  58516 30373 568      72 765        C-13-H3C-13-H2C-13-N
  223079.9233  0.0058 -5.7775 3  956.8486157  58516 303781068      771167        C-13-H3C-13-H2C-13-N
  223109.7728  0.0042 -4.3190 3  357.6690 99  58516 30349 346      49 247        C-13-H3C-13-H2C-13-N
  223267.2693  0.0027 -5.0013 3   97.0381 35  58516 30317 9 8      18 811        C-13-H3C-13-H2C-13-N
  223267.2693  0.0027 -5.0013 3   97.0381 35  58516 30317 9 9      18 810        C-13-H3C-13-H2C-13-N
  223292.1321  0.0013 -3.7383 3   98.3591 55  58516 30327 027      26 126        C-13-H3C-13-H2C-13-N
  223311.3844  0.0013 -2.7060 3   95.5521 53  58516 30326 125      25 124        C-13-H3C-13-H2C-13-N
  223343.7024  0.0023 -4.2135 3  351.7201 97  58516 30348 544      48 445        C-13-H3C-13-H2C-13-N
  223355.7191  0.0137 -6.6157 3  778.7122145  58516 30372 567      71 764        C-13-H3C-13-H2C-13-N
  223559.1917  0.0025 -5.1109 3  303.7176 91  58516 30345 442      45 243        C-13-H3C-13-H2C-13-N
  223781.1689  0.0013 -2.6921 3   98.3591 55  58516 30327 127      26 126        C-13-H3C-13-H2C-13-N
  223857.6236  0.0257 -6.1774 3  887.3498155  58516 30377 672      76 769        C-13-H3C-13-H2C-13-N
  223891.5715  0.0085 -6.3367 3 1254.8521179  58516 303891278      881375        C-13-H3C-13-H2C-13-N
  223906.0186  0.0013 -2.6915 3   98.3386 55  58516 30327 027      26 026        C-13-H3C-13-H2C-13-N
  223970.8553  0.0085 -6.3363 3 1254.8520179  58516 303891277      881376        C-13-H3C-13-H2C-13-N
  224011.4420  0.0041 -5.8867 3  937.3197137  58516 303681949      691852        C-13-H3C-13-H2C-13-N
  224011.4420  0.0041 -5.8867 3  937.3197137  58516 303681950      691851        C-13-H3C-13-H2C-13-N
  224297.6543  0.0026 -4.8883 3  139.9998 45  58516 303221012      23 915        C-13-H3C-13-H2C-13-N
  224297.6543  0.0026 -4.8883 3  139.9998 45  58516 303221013      23 914        C-13-H3C-13-H2C-13-N
  224314.7937  0.0098 -5.1152 3  956.0763159  58516 30379 871      79 772        C-13-H3C-13-H2C-13-N
  224315.1574  0.0059 -5.1161 3  270.8686 87  58516 30343 241      43 242        C-13-H3C-13-H2C-13-N
  224345.0126  0.0053 -5.3487 3  488.2065115  58516 30357 453      57 454        C-13-H3C-13-H2C-13-N
  224395.0554  0.0013 -3.7339 3   98.3386 55  58516 30327 127      26 026        C-13-H3C-13-H2C-13-N
  224397.9807  0.0028 -4.2402 3  316.9274 93  58516 30346 443      46 344        C-13-H3C-13-H2C-13-N
  224402.6382  0.0037 -6.7127 3  105.9837 49  58516 30324 618      25 421        C-13-H3C-13-H2C-13-N
  224421.7142  0.0097 -5.2333 3  205.8989 77  58516 30338 137      38 138        C-13-H3C-13-H2C-13-N
  224445.4433  0.0235 -5.5127 3 1177.4064177  58516 30388 880      88 781        C-13-H3C-13-H2C-13-N
  224457.3927  0.0097 -4.4832 3  205.8978 77  58516 30338 137      38 038        C-13-H3C-13-H2C-13-N
  224527.2664  0.0052 -4.2920 3  258.8364 85  58516 30342 340      42 241        C-13-H3C-13-H2C-13-N
  224598.7087  0.0040 -5.6322 3   38.5733 33  58516 30316 313      16 016        C-13-H3C-13-H2C-13-N
  224658.2553  0.0019 -4.0891 3  280.5846 85  58516 30342 636      42 537        C-13-H3C-13-H2C-13-N
  224684.0423  0.0034 -6.5986 3  200.8932 69  58516 30334 728      35 531        C-13-H3C-13-H2C-13-N
  224727.2417  0.0059 -4.3142 3  270.8549 87  58516 30343 241      43 142        C-13-H3C-13-H2C-13-N
  224877.2113  0.0034 -5.0923 3  576.7516123  58516 30361 754      60 853        C-13-H3C-13-H2C-13-N
  224879.8315  0.0013 -2.7139 3  100.6093 53  58516 30326 324      25 323        C-13-H3C-13-H2C-13-N
  225036.1943  0.0050 -6.1203 3 1068.3997147  58516 303732053      741956        C-13-H3C-13-H2C-13-N
  225036.1943  0.0050 -6.1203 3 1068.3997147  58516 303732054      741955        C-13-H3C-13-H2C-13-N
  225039.7817  0.0052 -5.0957 3  258.8193 85  58516 30342 340      42 141        C-13-H3C-13-H2C-13-N
  225074.9900  0.0300 -2.9175 3  168.2719 53 -58516 303261016      251015        C-13-H3C-13-H2C-13-N
  225074.9900  0.0300 -2.9175 3  168.2719 53 -58516 303261017      251016        C-13-H3C-13-H2C-13-N
  225082.1490  0.0300 -2.8740 3  154.1489 53 -58516 30326 918      25 917        C-13-H3C-13-H2C-13-N
  225082.1490  0.0300 -2.8740 3  154.1489 53 -58516 30326 917      25 916        C-13-H3C-13-H2C-13-N
  225086.1860  0.0300 -2.9661 3  183.8707 53 -58516 303261115      251114        C-13-H3C-13-H2C-13-N
  225086.1860  0.0300 -2.9661 3  183.8707 53 -58516 303261116      251115        C-13-H3C-13-H2C-13-N
  225111.2670  0.0300 -3.0200 3  200.9403 53 -58516 303261214      251213        C-13-H3C-13-H2C-13-N
  225111.2670  0.0300 -3.0200 3  200.9403 53 -58516 303261215      251214        C-13-H3C-13-H2C-13-N
  225115.1980  0.0300 -2.8353 3  141.5072 53 -58516 30326 819      25 818        C-13-H3C-13-H2C-13-N
  225115.1980  0.0300 -2.8353 3  141.5072 53 -58516 30326 818      25 817        C-13-H3C-13-H2C-13-N
  225147.4440  0.0300 -3.0793 3  219.4753 53 -58516 303261313      251312        C-13-H3C-13-H2C-13-N
  225147.4440  0.0300 -3.0793 3  219.4753 53 -58516 303261314      251313        C-13-H3C-13-H2C-13-N
  225187.7650  0.0500 -2.8013 3  130.3531 53 -58516 30326 720      25 719        C-13-H3C-13-H2C-13-N
  225187.7650  0.0500 -2.8013 3  130.3531 53 -58516 30326 719      25 718        C-13-H3C-13-H2C-13-N
  225192.8890  0.0500 -3.1446 3  239.4702 53 -58516 303261412      251411        C-13-H3C-13-H2C-13-N
  225192.8890  0.0500 -3.1446 3  239.4702 53 -58516 303261413      251412        C-13-H3C-13-H2C-13-N
  225246.3490  0.0300 -3.2161 3  260.9195 53 -58516 303261511      251510        C-13-H3C-13-H2C-13-N
  225246.3490  0.0300 -3.2161 3  260.9195 53 -58516 303261512      251511        C-13-H3C-13-H2C-13-N
  225271.0100  0.0300 -4.8528 3  191.6614 55 -58516 303271116      281019        C-13-H3C-13-H2C-13-N
  225271.0100  0.0300 -4.8528 3  191.6614 55 -58516 303271117      281018        C-13-H3C-13-H2C-13-N
  225306.9290  0.0500 -3.2945 3  283.8171 53 -58516 303261610      2516 9        C-13-H3C-13-H2C-13-N
  225306.9290  0.0500 -3.2945 3  283.8171 53 -58516 303261611      251610        C-13-H3C-13-H2C-13-N
  225325.6560  0.0300 -2.7717 3  120.6949 53 -58516 30326 621      25 620        C-13-H3C-13-H2C-13-N
  225328.1140  0.0300 -2.7717 3  120.6950 53 -58516 30326 620      25 619        C-13-H3C-13-H2C-13-N
  225335.7418  0.0039 -5.3021 3  699.1982135  58516 30367 859      66 958        C-13-H3C-13-H2C-13-N
  225374.1050  0.0500 -3.3805 3  308.1568 53 -58516 3032617 9      2517 8        C-13-H3C-13-H2C-13-N
  225374.1050  0.0500 -3.3805 3  308.1568 53 -58516 303261710      2517 9        C-13-H3C-13-H2C-13-N
  225447.2940  0.0500 -3.4750 3  333.9319 53 -58516 3032618 8      2518 7        C-13-H3C-13-H2C-13-N
  225447.2940  0.0500 -3.4750 3  333.9319 53 -58516 3032618 9      2518 8        C-13-H3C-13-H2C-13-N
  225526.1220  0.0300 -3.5796 3  361.1357 53 -58516 3032619 7      2519 6        C-13-H3C-13-H2C-13-N
  225526.1220  0.0300 -3.5796 3  361.1357 53 -58516 3032619 8      2519 7        C-13-H3C-13-H2C-13-N
  225565.1260  0.0500 -2.7465 3  112.5451 53 -58516 30326 522      25 521        C-13-H3C-13-H2C-13-N
  225596.8667  0.0195 -5.2011 3  995.8037163  58516 30381 774      81 675        C-13-H3C-13-H2C-13-N
  225610.4350  0.0300 -3.6963 3  389.7610 53 -58516 3032620 6      2520 5        C-13-H3C-13-H2C-13-N
  225610.4350  0.0300 -3.6963 3  389.7610 53 -58516 3032620 7      2520 6        C-13-H3C-13-H2C-13-N
  225620.3005  0.0050 -6.4701 3  191.2718 69  58516 30334 629      35 332        C-13-H3C-13-H2C-13-N
  225624.1930  0.0012 -2.7462 3  112.5494 53  58516 30326 521      25 520        C-13-H3C-13-H2C-13-N
  225625.4288  0.0096 -4.4789 3  205.8989 77  58516 30338 237      38 138        C-13-H3C-13-H2C-13-N
  225646.2333  0.0018 -4.3138 3   14.7939 17  58516 303 8 4 5       7 3 4        C-13-H3C-13-H2C-13-N
  225647.2216  0.0034 -4.4872 3  576.7259123  58516 30361 754      61 655        C-13-H3C-13-H2C-13-N
  225661.1073  0.0096 -5.2291 3  205.8978 77  58516 30338 237      38 038        C-13-H3C-13-H2C-13-N
  225661.9959  0.0018 -4.3138 3   14.7933 17  58516 303 8 4 4       7 3 5        C-13-H3C-13-H2C-13-N
  225699.9140  0.0300 -3.8284 3  419.8002 53 -58516 3032621 5      2521 4        C-13-H3C-13-H2C-13-N
  225699.9140  0.0300 -3.8284 3  419.8002 53 -58516 3032621 6      2521 5        C-13-H3C-13-H2C-13-N
  225767.7370  0.0300 -2.7259 3  105.9053 53 -58516 30326 423      25 422        C-13-H3C-13-H2C-13-N
  225794.4390  0.0300 -3.9813 3  451.2456 53 -58516 3032622 4      2522 3        C-13-H3C-13-H2C-13-N
  225794.4390  0.0300 -3.9813 3  451.2456 53 -58516 3032622 5      2522 4        C-13-H3C-13-H2C-13-N
  225825.5109  0.0049 -5.5409 3  833.4110147  58516 30373 965      721062        C-13-H3C-13-H2C-13-N
  225893.8200  0.0300 -4.1653 3  484.0892 53 -58516 3032623 3      2523 2        C-13-H3C-13-H2C-13-N
  225893.8200  0.0300 -4.1653 3  484.0892 53 -58516 3032623 4      2523 3        C-13-H3C-13-H2C-13-N
  225997.9010  0.0300 -4.4035 3  518.3226 53 -58516 3032624 2      2524 1        C-13-H3C-13-H2C-13-N
  225997.9010  0.0300 -4.4035 3  518.3226 53 -58516 3032624 3      2524 2        C-13-H3C-13-H2C-13-N
  226048.8686  0.0049 -6.1765 3   43.4660 35  58516 30317 314      17 117        C-13-H3C-13-H2C-13-N
  226106.6490  0.0300 -4.7697 3  553.9374 53 -58516 3032625 1      2525 0        C-13-H3C-13-H2C-13-N
  226106.6490  0.0300 -4.7697 3  553.9374 53 -58516 3032625 2      2525 1        C-13-H3C-13-H2C-13-N
  226111.2314  0.0074 -6.3743 3 1208.0897157  58516 303782157      792060        C-13-H3C-13-H2C-13-N
  226111.2314  0.0074 -6.3743 3 1208.0897157  58516 303782158      792059        C-13-H3C-13-H2C-13-N
  226200.4910  0.0300 -4.8682 3  252.0188 65 -58516 303321220      331123        C-13-H3C-13-H2C-13-N
  226200.4910  0.0300 -4.8682 3  252.0188 65 -58516 303321221      331122        C-13-H3C-13-H2C-13-N
  226506.1740  0.0300 -4.3021 3   29.4842 29 -58516 30314 312      13 211        C-13-H3C-13-H2C-13-N
  226534.8425  0.0041 -5.0624 3  531.8540119  58516 30359 654      58 751        C-13-H3C-13-H2C-13-N
  226571.0250  0.0300 -2.7230 3  105.9837 53 -58516 30326 422      25 421        C-13-H3C-13-H2C-13-N
  226710.2555  0.0033 -5.5900 3   91.1028 49  58516 30324 421      24 222        C-13-H3C-13-H2C-13-N
  226750.4635  0.0037 -6.7053 3  105.9053 49  58516 30324 619      25 422        C-13-H3C-13-H2C-13-N
  226877.3970  0.0300 -4.2245 3  365.7886 99 -58516 30349 545      49 446        C-13-H3C-13-H2C-13-N
  227018.6610  0.0300 -4.3328 3   25.4398 27 -58516 30313 310      12 211        C-13-H3C-13-H2C-13-N
  227099.1270  0.0500 -4.9223 3  321.0669 75 -58516 303371324      381227        C-13-H3C-13-H2C-13-N
  227099.1270  0.0500 -4.9223 3  321.0669 75 -58516 303371325      381226        C-13-H3C-13-H2C-13-N
  227243.2387  0.0124 -6.6484 3 1356.3754167  58516 303832261      842164        C-13-H3C-13-H2C-13-N
  227243.2387  0.0124 -6.6484 3 1356.3754167  58516 303832262      842163        C-13-H3C-13-H2C-13-N
  227319.9020  0.0500 -4.0678 3  268.3085 83 -58516 30341 635      41 536        C-13-H3C-13-H2C-13-N
  227526.7064  0.0160 -5.9606 3  850.9319151  58516 30375 669      75 670        C-13-H3C-13-H2C-13-N
  227669.2695  0.0039 -5.1549 3  612.4397127  58516 30363 757      62 854        C-13-H3C-13-H2C-13-N
  227880.0196  0.0073 -6.0511 3 1112.8102169  58516 303841174      831271        C-13-H3C-13-H2C-13-N
  227953.4546  0.0094 -5.0658 3  932.8778157  58516 30378 870      78 771        C-13-H3C-13-H2C-13-N
  227972.0740  0.0500 -4.8880 3  807.2786147 -58516 30373 667      73 568        C-13-H3C-13-H2C-13-N
  227979.0470  0.0300 -5.0087 3  398.7994 85 -58516 303421428      431331        C-13-H3C-13-H2C-13-N
  227979.0470  0.0300 -5.0087 3  398.7994 85 -58516 303421429      431330        C-13-H3C-13-H2C-13-N
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  230819.5360  0.0028 -5.3696 3   59.0263 23  58516 30311 8 4      12 7 5        C-13-H3C-13-H2C-13-N
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  231190.8246  0.0055 -5.0936 3  270.8549 87  58516 30343 341      43 142        C-13-H3C-13-H2C-13-N
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  231246.3614  0.0234 -6.0724 3  865.0255153  58516 30376 671      75 768        C-13-H3C-13-H2C-13-N
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  231529.5494  0.0034 -5.6151 3  796.4112125  58516 303621845      631746        C-13-H3C-13-H2C-13-N
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  231921.8100  0.0028 -5.0295 3   91.8412 33  58516 30316 9 8      17 8 9        C-13-H3C-13-H2C-13-N
  231950.2150  0.0300 -2.6609 3  105.8236 57 -58516 30328 128      27 127        C-13-H3C-13-H2C-13-N
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  232473.1324  0.0039 -5.8240 3  917.4354135  58516 303671949      681850        C-13-H3C-13-H2C-13-N
  232834.9197  0.0062 -5.7822 3  979.3512159  58516 303791069      781168        C-13-H3C-13-H2C-13-N
  232860.0752  0.0045 -5.0788 3  549.0189121  58516 30360 655      59 752        C-13-H3C-13-H2C-13-N
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  232951.6020  0.0300 -4.8892 3  133.3586 43 -58516 303211012      22 913        C-13-H3C-13-H2C-13-N
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  233172.5226  0.0090 -6.3500 3 1280.4634181  58516 303901279      891376        C-13-H3C-13-H2C-13-N
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  233456.1136  0.0048 -6.0541 3 1047.0853145  58516 303722053      731954        C-13-H3C-13-H2C-13-N
  233682.9180  0.0300 -4.0144 3  233.3002 77 -58516 30338 632      38 533        C-13-H3C-13-H2C-13-N
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  233733.0230  0.0500 -2.8789 3  175.7796 55 -58516 303271018      261017        C-13-H3C-13-H2C-13-N
  233734.9449  0.0295 -5.5874 3 1229.5420181  58516 30390 882      90 783        C-13-H3C-13-H2C-13-N
  233741.5750  0.0500 -2.9261 3  191.3788 55 -58516 303271116      261115        C-13-H3C-13-H2C-13-N
  233741.5750  0.0500 -2.9261 3  191.3788 55 -58516 303271117      261116        C-13-H3C-13-H2C-13-N
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  233744.6930  0.0500 -2.8365 3  161.6568 55 -58516 30327 919      26 918        C-13-H3C-13-H2C-13-N
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  233765.2740  0.0500 -2.9783 3  208.4492 55 -58516 303271216      261215        C-13-H3C-13-H2C-13-N
  233784.9410  0.0500 -2.7988 3  149.0162 55 -58516 30327 820      26 819        C-13-H3C-13-H2C-13-N
  233784.9410  0.0500 -2.7988 3  149.0162 55 -58516 30327 819      26 818        C-13-H3C-13-H2C-13-N
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  233801.0190  0.0300 -3.0357 3  226.9854 55 -58516 303271315      261314        C-13-H3C-13-H2C-13-N
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  233846.7400  0.0300 -3.0987 3  246.9819 55 -58516 303271414      261413        C-13-H3C-13-H2C-13-N
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  233869.1630  0.0300 -2.7655 3  137.8645 55 -58516 30327 720      26 719        C-13-H3C-13-H2C-13-N
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  233901.0910  0.0500 -3.1674 3  268.4329 55 -58516 303271513      261512        C-13-H3C-13-H2C-13-N
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  233920.6280  0.0025 -4.8385 3  183.5761 53  58516 303261116      271017        C-13-H3C-13-H2C-13-N
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  233963.0770  0.0500 -3.2425 3  291.3325 55 -58516 303271612      261611        C-13-H3C-13-H2C-13-N
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  234029.6750  0.0500 -2.7366 3  128.2111 55 -58516 30327 621      26 620        C-13-H3C-13-H2C-13-N
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  234031.9860  0.0300 -3.3243 3  315.6744 55 -58516 303271711      261710        C-13-H3C-13-H2C-13-N
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  234107.3020  0.0300 -3.4137 3  341.4520 55 -58516 303271810      2618 9        C-13-H3C-13-H2C-13-N
  234147.1164  0.0034 -6.5856 3  190.7471 67  58516 30333 727      34 530        C-13-H3C-13-H2C-13-N
  234188.6530  0.0300 -3.5117 3  368.6585 55 -58516 3032719 8      2619 7        C-13-H3C-13-H2C-13-N
  234188.6530  0.0300 -3.5117 3  368.6585 55 -58516 3032719 9      2619 8        C-13-H3C-13-H2C-13-N
  234268.4778  0.0018 -4.2673 3   17.1043 19  58516 303 9 4 6       8 3 5        C-13-H3C-13-H2C-13-N
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  234275.6810  0.0300 -3.6197 3  397.2865 55 -58516 3032720 8      2620 7        C-13-H3C-13-H2C-13-N
  234279.7055  0.0034 -5.6882 3   77.2421 45  58516 30322 419      22 220        C-13-H3C-13-H2C-13-N
  234290.5380  0.0300 -2.7119 3  120.0692 55 -58516 30327 523      26 522        C-13-H3C-13-H2C-13-N
  234303.2249  0.0018 -4.2672 3   17.1031 19  58516 303 9 4 5       8 3 6        C-13-H3C-13-H2C-13-N
  234362.8112  0.0073 -6.6377 3  501.1854113  58516 30356 849      57 552        C-13-H3C-13-H2C-13-N
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  234368.1740  0.0300 -3.7397 3  427.3287 55 -58516 3032721 7      2621 6        C-13-H3C-13-H2C-13-N
  234372.8200  0.0300 -2.7116 3  120.0754 55 -58516 30327 522      26 521        C-13-H3C-13-H2C-13-N
  234411.4505  0.0055 -5.3426 3  504.7350117  58516 30358 454      58 455        C-13-H3C-13-H2C-13-N
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  234465.9420  0.0300 -3.8751 3  458.7773 55 -58516 3032722 6      2622 5        C-13-H3C-13-H2C-13-N
  234474.0180  0.0500 -2.6919 3  113.4361 55 -58516 30327 424      26 423        C-13-H3C-13-H2C-13-N
  234485.9363  0.0071 -6.3048 3 1185.3476155  58516 303772156      782059        C-13-H3C-13-H2C-13-N
  234485.9363  0.0071 -6.3048 3 1185.3476155  58516 303772157      782058        C-13-H3C-13-H2C-13-N
  234568.8010  0.0300 -4.0313 3  491.6242 55 -58516 3032723 4      2623 3        C-13-H3C-13-H2C-13-N
  234568.8010  0.0300 -4.0313 3  491.6242 55 -58516 3032723 5      2623 4        C-13-H3C-13-H2C-13-N
  234676.5880  0.0500 -4.2185 3  525.8611 55 -58516 3032724 3      2624 2        C-13-H3C-13-H2C-13-N
  234676.5880  0.0500 -4.2185 3  525.8611 55 -58516 3032724 4      2624 3        C-13-H3C-13-H2C-13-N
  234683.7090  0.0300 -4.2478 3  394.7514103 -58516 30351 547      51 448        C-13-H3C-13-H2C-13-N
  234789.2310  0.0500 -4.4599 3  561.4795 55 -58516 3032725 2      2625 1        C-13-H3C-13-H2C-13-N
  234789.2310  0.0500 -4.4599 3  561.4795 55 -58516 3032725 3      2625 2        C-13-H3C-13-H2C-13-N
  234841.7118  0.0023 -4.8438 3  242.4899 63  58516 303311219      321122        C-13-H3C-13-H2C-13-N
  234841.7118  0.0023 -4.8438 3  242.4899 63  58516 303311220      321121        C-13-H3C-13-H2C-13-N
  234859.0190  0.0300 -3.9007 3   95.5521 53 -58516 30326 225      25 124        C-13-H3C-13-H2C-13-N
  234906.5446  0.0029 -4.8293 3  598.4705 55  58516 3032726 1      2626 0        C-13-H3C-13-H2C-13-N
  234906.5446  0.0029 -4.8293 3  598.4705 55  58516 3032726 2      2626 1        C-13-H3C-13-H2C-13-N
  235322.1030  0.0300 -4.0001 3  222.2337 75 -58516 30337 631      37 532        C-13-H3C-13-H2C-13-N
  235442.7131  0.0053 -5.5438 3  854.4998149  58516 30374 966      731063        C-13-H3C-13-H2C-13-N
  235479.2358  0.0031 -4.4055 3  541.1642119  58516 30359 752      59 653        C-13-H3C-13-H2C-13-N
  235493.8260  0.0300 -2.6884 3  113.5413 55 -58516 30327 423      26 422        C-13-H3C-13-H2C-13-N
  235539.6250  0.0300 -4.2518 3  343.8634 97 -58516 30348 445      48 346        C-13-H3C-13-H2C-13-N
  235569.4577  0.0121 -6.5756 3 1332.2085165  58516 303822260      832163        C-13-H3C-13-H2C-13-N
  235569.4577  0.0121 -6.5756 3 1332.2085165  58516 303822261      832162        C-13-H3C-13-H2C-13-N
  235727.5520  0.0300 -4.8902 3  310.0952 73 -58516 303361323      371226        C-13-H3C-13-H2C-13-N
  235727.5520  0.0300 -4.8902 3  310.0952 73 -58516 303361324      371225        C-13-H3C-13-H2C-13-N
  236309.7588  0.0043 -5.2961 3  718.5770137  58516 30368 860      67 959        C-13-H3C-13-H2C-13-N
  236344.6224  0.0043 -5.1581 3  630.7038129  58516 30364 758      63 855        C-13-H3C-13-H2C-13-N
  236407.1869  0.0051 -5.5218 3   48.3585 37  58516 30318 315      18 018        C-13-H3C-13-H2C-13-N
  236542.0750  0.0300 -4.6951 3  367.1849 99 -58516 30349 544      48 643        C-13-H3C-13-H2C-13-N
  236590.3205  0.0022 -4.9703 3  386.3860 83  58516 303411427      421330        C-13-H3C-13-H2C-13-N
  236590.3205  0.0022 -4.9703 3  386.3860 83  58516 303411428      421329        C-13-H3C-13-H2C-13-N
  236696.2580  0.0300 -4.2953 3   29.1739 29 -58516 30314 311      13 212        C-13-H3C-13-H2C-13-N
  236699.3283  0.0088 -4.9655 3  887.3498153  58516 30376 868      76 769        C-13-H3C-13-H2C-13-N
  236755.5030  0.0300 -3.9873 3  211.4668 73 -58516 30336 630      36 531        C-13-H3C-13-H2C-13-N
  237010.5000  0.0500 -4.7422 3   30.1019 31 -58516 30315 213      14 114        C-13-H3C-13-H2C-13-N
  237051.7315  0.0037 -5.0780 3  594.4164125  58516 30362 755      61 854        C-13-H3C-13-H2C-13-N
  237086.3700  0.0300 -4.2949 3  283.1723 89 -58516 30344 342      44 243        C-13-H3C-13-H2C-13-N
  237219.6540  0.0500 -4.9035 3  828.6542149 -58516 30374 668      74 569        C-13-H3C-13-H2C-13-N
  237318.6749  0.0078 -6.0615 3 1137.0126171  58516 303851175      841272        C-13-H3C-13-H2C-13-N
  237417.1470  0.0059 -5.0929 3  283.1613 89  58516 30344 342      44 143        C-13-H3C-13-H2C-13-N
  237441.5370  0.0300 -5.0795 3  471.3551 93 -58516 303461531      471434        C-13-H3C-13-H2C-13-N
  237441.5370  0.0300 -5.0795 3  471.3551 93 -58516 303461532      471433        C-13-H3C-13-H2C-13-N
  237684.6450  0.0078 -6.0601 3 1137.0119171  58516 303851174      841273        C-13-H3C-13-H2C-13-N
  237743.3827  0.0046 -5.3297 3  738.2722139  58516 30369 862      68 959        C-13-H3C-13-H2C-13-N
  237789.6042  0.0111 -5.2262 3  227.6289 81  58516 30340 139      40 140        C-13-H3C-13-H2C-13-N
  237811.4267  0.0111 -4.4783 3  227.6282 81  58516 30340 139      40 040        C-13-H3C-13-H2C-13-N
  237870.6460  0.0212 -5.9715 3  842.9974151  58516 30375 670      74 767        C-13-H3C-13-H2C-13-N
  237929.3160  0.0500 -2.6519 3  111.0468 57 -58516 30328 227      27 226        C-13-H3C-13-H2C-13-N
  237937.5814  0.0012 -2.6572 3  106.1191 55  58516 30327 225      26 224        C-13-H3C-13-H2C-13-N
  238004.9270  0.0300 -3.9762 3  200.9985 71 -58516 30335 629      35 530        C-13-H3C-13-H2C-13-N
  238019.5329  0.0034 -5.7409 3   70.7493 43  58516 30321 418      21 219        C-13-H3C-13-H2C-13-N
  238093.3200  0.0031 -5.1099 3  343.7782 97  58516 30348 445      48 246        C-13-H3C-13-H2C-13-N
  238197.1254  0.0048 -5.1682 3  386.3050103  58516 30351 348      51 349        C-13-H3C-13-H2C-13-N
  238202.7698  0.0106 -6.6768 3 1459.7802193  58516 303961384      951481        C-13-H3C-13-H2C-13-N
  238236.6797  0.0106 -6.6766 3 1459.7801193  58516 303961383      951482        C-13-H3C-13-H2C-13-N
  238291.9530  0.0300 -5.2151 3  564.9943103 -58516 303511635      521538        C-13-H3C-13-H2C-13-N
  238291.9530  0.0300 -5.2151 3  564.9943103 -58516 303511636      521537        C-13-H3C-13-H2C-13-N
  238362.6920  0.0300 -2.6639 3  108.9665 55 -58516 30327 324      26 323        C-13-H3C-13-H2C-13-N
  238578.2006  0.0110 -4.4756 3  227.6289 81  58516 30340 239      40 140        C-13-H3C-13-H2C-13-N
  238600.0231  0.0110 -5.2236 3  227.6282 81  58516 30340 239      40 040        C-13-H3C-13-H2C-13-N
  238654.0538  0.0049 -5.1002 3  566.4848123  58516 30361 656      60 753        C-13-H3C-13-H2C-13-N
  238706.2227  0.0053 -5.5312 3  854.4923149  58516 30374 965      731064        C-13-H3C-13-H2C-13-N
  238720.7535  0.0035 -6.6137 3  300.5609 85  58516 30342 834      43 637        C-13-H3C-13-H2C-13-N
  238730.2800  0.0300 -4.0581 3  292.5229 87 -58516 30343 638      43 539        C-13-H3C-13-H2C-13-N
  238768.8390  0.0300 -4.0728 3  305.2786 89 -58516 30344 639      44 540        C-13-H3C-13-H2C-13-N
  238795.4140  0.0300 -4.0440 3  280.0554 85 -58516 30342 637      42 538        C-13-H3C-13-H2C-13-N
  238926.9103  0.0019 -4.0881 3  318.3219 91  58516 30345 640      45 541        C-13-H3C-13-H2C-13-N
  238942.4167  0.0067 -5.1083 3  295.7474 91  58516 30345 243      45 244        C-13-H3C-13-H2C-13-N
  238942.8590  0.0300 -4.2601 3  409.6446105 -58516 30352 548      52 449        C-13-H3C-13-H2C-13-N
  238948.6980  0.0300 -4.0305 3  267.8766 83 -58516 30341 636      41 537        C-13-H3C-13-H2C-13-N
  239037.7690  0.0300 -4.4326 3  504.5807117 -58516 30358 454      58 355        C-13-H3C-13-H2C-13-N
  239091.3250  0.0300 -3.9666 3  190.8276 69 -58516 30334 628      34 529        C-13-H3C-13-H2C-13-N
  239151.7187  0.0030 -5.3751 3  667.2946113  58516 303561739      571642        C-13-H3C-13-H2C-13-N
  239151.7187  0.0030 -5.3751 3  667.2946113  58516 303561740      571641        C-13-H3C-13-H2C-13-N
  239175.2260  0.0500 -4.0178 3  255.9871 81 -58516 30340 635      40 536        C-13-H3C-13-H2C-13-N
  239207.4552  0.0014 -3.8513 3  118.9833 59  58516 30329 128      28 227        C-13-H3C-13-H2C-13-N
  239207.5826  0.0066 -4.3121 3  295.7385 91  58516 30345 243      45 144        C-13-H3C-13-H2C-13-N
  239220.4890  0.0300 -4.1040 3  331.6521 93 -58516 30346 641      46 542        C-13-H3C-13-H2C-13-N
  239449.7560  0.0500 -2.6453 3  110.7192 57 -58516 30328 127      27 126        C-13-H3C-13-H2C-13-N
  239460.8080  0.0300 -4.0059 3  244.3874 79 -58516 30339 634      39 535        C-13-H3C-13-H2C-13-N
  239469.8233  0.0028 -5.5147 3   55.5625 21  58516 30310 8 2      11 7 5        C-13-H3C-13-H2C-13-N
  239469.8233  0.0028 -5.5147 3   55.5625 21  58516 30310 8 3      11 7 4        C-13-H3C-13-H2C-13-N
  239614.9930  0.0300 -4.3185 3  386.2577103 -58516 30351 348      51 249        C-13-H3C-13-H2C-13-N
  239616.0913  0.0326 -5.6232 3 1255.9989183  58516 30391 883      91 784        C-13-H3C-13-H2C-13-N
  239644.1380  0.0300 -4.2346 3   38.0077 33 -58516 30316 314      15 213        C-13-H3C-13-H2C-13-N
  239665.4630  0.0300 -4.1204 3  345.2684 95 -58516 30347 642      47 543        C-13-H3C-13-H2C-13-N
  239792.2080  0.0300 -3.9948 3  233.0778 77 -58516 30338 633      38 534        C-13-H3C-13-H2C-13-N
  239807.8510  0.0300 -3.6721 3  113.5606 59 -58516 30329 029      28 128        C-13-H3C-13-H2C-13-N
  239975.1708  0.0169 -5.9610 3  872.7390153  58516 30376 670      76 671        C-13-H3C-13-H2C-13-N
  240030.2476  0.0034 -5.5582 3  778.2458123  58516 303611843      621746        C-13-H3C-13-H2C-13-N
  240030.2476  0.0034 -5.5582 3  778.2458123  58516 303611844      621745        C-13-H3C-13-H2C-13-N
  240034.2900  0.0300 -3.9584 3  180.9533 67 -58516 30333 627      33 528        C-13-H3C-13-H2C-13-N
  240098.5617  0.0051 -6.4868 3  180.9475 67  58516 30333 628      34 331        C-13-H3C-13-H2C-13-N
  240116.1160  0.0500 -2.6320 3  113.5606 59 -58516 30329 129      28 128        C-13-H3C-13-H2C-13-N
  240157.1233  0.0015 -3.9845 3  222.0587 75  58516 30337 632      37 533        C-13-H3C-13-H2C-13-N
  240196.4930  0.0300 -2.6317 3  113.5477 59 -58516 30329 029      28 028        C-13-H3C-13-H2C-13-N
  240239.8827  0.0030 -4.3661 3  523.8405117  58516 30358 751      58 652        C-13-H3C-13-H2C-13-N
  240277.3000  0.0300 -4.1372 3  359.1701 97 -58516 30348 643      48 544        C-13-H3C-13-H2C-13-N
  240363.4530  0.0300 -4.6338 3  656.9163133 -58516 30366 561      66 462        C-13-H3C-13-H2C-13-N
  240504.7690  0.0300 -3.6695 3  113.5477 59 -58516 30329 129      28 028        C-13-H3C-13-H2C-13-N
  240544.5820  0.0300 -3.9751 3  211.3304 73 -58516 30336 631      36 532        C-13-H3C-13-H2C-13-N
  240573.6624  0.0028 -5.0704 3   86.9332 31  58516 30315 9 6      16 8 9        C-13-H3C-13-H2C-13-N
  240573.6624  0.0028 -5.0704 3   86.9332 31  58516 30315 9 7      16 8 8        C-13-H3C-13-H2C-13-N
  240767.5369  0.0060 -6.1288 3   53.7492 39  58516 30319 316      19 119        C-13-H3C-13-H2C-13-N
  240851.8390  0.0300 -3.9517 3  171.3747 65 -58516 30332 626      32 527        C-13-H3C-13-H2C-13-N
  240936.3535  0.0038 -5.7634 3  897.8369133  58516 303661947      671850        C-13-H3C-13-H2C-13-N
  240936.3535  0.0038 -5.7634 3  897.8369133  58516 303661948      671849        C-13-H3C-13-H2C-13-N
  240944.7080  0.0300 -3.9667 3  200.8932 71 -58516 30335 630      35 531        C-13-H3C-13-H2C-13-N
  240951.3105  0.0075 -5.6068 3  676.4465135  58516 30367 562      67 563        C-13-H3C-13-H2C-13-N
  240958.0573  0.0035 -6.6063 3  300.4861 85  58516 30342 835      43 638        C-13-H3C-13-H2C-13-N
  241070.8720  0.0300 -4.1544 3  373.3564 99 -58516 30349 644      49 545        C-13-H3C-13-H2C-13-N
  241207.9210  0.0500 -3.8632 3  103.0010 55 -58516 30327 226      26 125        C-13-H3C-13-H2C-13-N
  241316.6080  0.0300 -4.2588 3  357.7391 99 -58516 30349 446      49 347        C-13-H3C-13-H2C-13-N
  241348.9100  0.0300 -3.9593 3  190.7471 69 -58516 30334 629      34 530        C-13-H3C-13-H2C-13-N
  241407.0334  0.0306 -5.8734 3 1401.4508193  58516 30396 987      96 888        C-13-H3C-13-H2C-13-N
  241411.1457  0.0067 -5.7937 3 1002.1444161  58516 303801071      791168        C-13-H3C-13-H2C-13-N
  241492.0800  0.0269 -5.8210 3 1373.4092191  58516 30395 986      95 887        C-13-H3C-13-H2C-13-N
  241560.0720  0.0300 -3.9465 3  162.0911 63 -58516 30331 625      31 526        C-13-H3C-13-H2C-13-N
  241602.6472  0.0027 -4.8966 3  127.0063 41  58516 303201010      21 913        C-13-H3C-13-H2C-13-N
  241602.6472  0.0027 -4.8966 3  127.0063 41  58516 303201011      21 912        C-13-H3C-13-H2C-13-N
  241635.4605  0.0234 -5.2508 3 1043.6434167  58516 30383 776      83 677        C-13-H3C-13-H2C-13-N
  241638.3117  0.0084 -4.9150 3  865.0255151  58516 30375 867      75 768        C-13-H3C-13-H2C-13-N
  241666.4527  0.0034 -5.7963 3   64.5504 41  58516 30320 417      20 218        C-13-H3C-13-H2C-13-N
  241749.7960  0.0300 -3.9529 3  180.8924 67 -58516 30333 628      33 529        C-13-H3C-13-H2C-13-N
  241752.5700  0.0034 -6.5821 3  180.9533 65  58516 30332 725      33 528        C-13-H3C-13-H2C-13-N
  241878.2369  0.0046 -5.9899 3 1026.0559143  58516 303712051      721954        C-13-H3C-13-H2C-13-N
  241878.2369  0.0046 -5.9899 3 1026.0559143  58516 303712052      721953        C-13-H3C-13-H2C-13-N
  241917.9180  0.0500 -2.6500 3  115.8961 57 -58516 30328 326      27 325        C-13-H3C-13-H2C-13-N
  242034.4600  0.0300 -4.0792 3  149.8696 65 -58516 30332 230      31 329        C-13-H3C-13-H2C-13-N
  242060.3290  0.0300 -4.1721 3  387.8265101 -58516 30350 645      50 546        C-13-H3C-13-H2C-13-N
  242141.3040  0.0300 -3.9476 3  171.3291 65 -58516 30332 627      32 528        C-13-H3C-13-H2C-13-N
  242173.3240  0.0300 -3.9426 3  153.1017 61 -58516 30330 624      30 525        C-13-H3C-13-H2C-13-N
  242182.0737  0.0351 -5.9246 3 1429.7619195  58516 30397 988      97 889        C-13-H3C-13-H2C-13-N
  242391.2280  0.0500 -2.8432 3  183.5761 57 -58516 303281018      271017        C-13-H3C-13-H2C-13-N
  242391.2280  0.0500 -2.8432 3  183.5761 57 -58516 303281019      271018        C-13-H3C-13-H2C-13-N
  242396.7450  0.0500 -2.8892 3  199.1756 57 -58516 303281117      271116        C-13-H3C-13-H2C-13-N
  242396.7450  0.0500 -2.8892 3  199.1756 57 -58516 303281118      271117        C-13-H3C-13-H2C-13-N
  242407.8150  0.0300 -2.8018 3  169.4537 57 -58516 30328 920      27 919        C-13-H3C-13-H2C-13-N
  242407.8150  0.0300 -2.8018 3  169.4537 57 -58516 30328 919      27 918        C-13-H3C-13-H2C-13-N
  242409.8256  0.0240 -5.7674 3 1345.6396189  58516 30394 985      94 886        C-13-H3C-13-H2C-13-N
  242418.7790  0.0300 -2.9400 3  216.2468 57 -58516 303281216      271215        C-13-H3C-13-H2C-13-N
  242418.7790  0.0300 -2.9400 3  216.2468 57 -58516 303281217      271216        C-13-H3C-13-H2C-13-N
  242453.8880  0.0300 -2.9958 3  234.7841 57 -58516 303281315      271314        C-13-H3C-13-H2C-13-N
  242453.8880  0.0300 -2.9958 3  234.7841 57 -58516 303281316      271315        C-13-H3C-13-H2C-13-N
  242455.9770  0.0300 -2.7649 3  156.8145 57 -58516 30328 821      27 820        C-13-H3C-13-H2C-13-N
  242455.9770  0.0300 -2.7649 3  156.8145 57 -58516 30328 820      27 819        C-13-H3C-13-H2C-13-N
  242481.4760  0.0095 -6.3654 3 1306.3599183  58516 303911280      901377        C-13-H3C-13-H2C-13-N
  242493.8445  0.0037 -4.8684 3  482.0231113  58516 30356 650      55 749        C-13-H3C-13-H2C-13-N
  242499.7660  0.0300 -3.0568 3  254.7821 57 -58516 303281414      271413        C-13-H3C-13-H2C-13-N
  242499.7660  0.0300 -3.0568 3  254.7821 57 -58516 303281415      271414        C-13-H3C-13-H2C-13-N
  242518.3989  0.0015 -3.9434 3  162.0573 63  58516 30331 626      31 527        C-13-H3C-13-H2C-13-N
  242552.8580  0.0500 -2.7324 3  145.6656 57 -58516 30328 722      27 721        C-13-H3C-13-H2C-13-N
  242552.8580  0.0500 -2.7324 3  145.6656 57 -58516 30328 721      27 720        C-13-H3C-13-H2C-13-N
  242554.8690  0.0500 -3.1232 3  276.2350 57 -58516 303281513      271512        C-13-H3C-13-H2C-13-N
  242554.8690  0.0500 -3.1232 3  276.2350 57 -58516 303281514      271513        C-13-H3C-13-H2C-13-N
  242567.4804  0.0025 -4.8287 3  175.7796 51  58516 303251114      261017        C-13-H3C-13-H2C-13-N
  242567.4804  0.0025 -4.8287 3  175.7796 51  58516 303251115      261016        C-13-H3C-13-H2C-13-N
  242609.5639  0.0094 -6.3649 3 1306.3597183  58516 303911279      901378        C-13-H3C-13-H2C-13-N
  242618.1140  0.0500 -3.1955 3  299.1367 57 -58516 303281612      271611        C-13-H3C-13-H2C-13-N
  242618.1140  0.0500 -3.1955 3  299.1367 57 -58516 303281613      271612        C-13-H3C-13-H2C-13-N
  242667.1014  0.0067 -5.7890 3 1002.1417161  58516 303801070      791169        C-13-H3C-13-H2C-13-N
  242688.6890  0.0500 -3.2740 3  323.4809 57 -58516 303281711      271710        C-13-H3C-13-H2C-13-N
  242688.6890  0.0500 -3.2740 3  323.4809 57 -58516 303281712      271711        C-13-H3C-13-H2C-13-N
  242704.1238  0.0016 -3.9401 3  144.4059 59  58516 30329 623      29 524        C-13-H3C-13-H2C-13-N
  242729.9630  0.0300 -2.7041 3  136.0172 57 -58516 30328 623      27 622        C-13-H3C-13-H2C-13-N
  242735.5370  0.0500 -2.7041 3  136.0175 57 -58516 30328 622      27 621        C-13-H3C-13-H2C-13-N
  242766.1100  0.0300 -3.3593 3  349.2610 57 -58516 303281810      2718 9        C-13-H3C-13-H2C-13-N
  242766.1100  0.0300 -3.3593 3  349.2610 57 -58516 303281811      271810        C-13-H3C-13-H2C-13-N
  242849.8245  0.0017 -3.4520 3  376.4701 57  58516 3032819 9      2719 8        C-13-H3C-13-H2C-13-N
  242849.8245  0.0017 -3.4520 3  376.4701 57  58516 303281910      2719 9        C-13-H3C-13-H2C-13-N
  242863.5063  0.0069 -6.2372 3 1162.8900153  58516 303762155      772058        C-13-H3C-13-H2C-13-N
  242863.5063  0.0069 -6.2372 3 1162.8900153  58516 303762156      772057        C-13-H3C-13-H2C-13-N
  242871.3810  0.0018 -4.2231 3   19.7045 21  58516 30310 4 7       9 3 6        C-13-H3C-13-H2C-13-N
  242877.1573  0.0015 -3.9403 3  153.0770 61  58516 30330 625      30 526        C-13-H3C-13-H2C-13-N
  242939.5840  0.0500 -3.5534 3  405.1011 57 -58516 3032820 8      2720 7        C-13-H3C-13-H2C-13-N
  242939.5840  0.0500 -3.5534 3  405.1011 57 -58516 3032820 9      2720 8        C-13-H3C-13-H2C-13-N
  242940.9979  0.0018 -4.2230 3   19.7022 21  58516 30310 4 6       9 3 7        C-13-H3C-13-H2C-13-N
  243019.7010  0.0500 -2.6798 3  127.8843 57 -58516 30328 524      27 523        C-13-H3C-13-H2C-13-N
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  247686.4046  0.0029 -5.3244 3  650.8515111  58516 303551739      561640        C-13-H3C-13-H2C-13-N
  247751.3770  0.0300 -3.8277 3  110.7192 57 -58516 30328 227      27 126        C-13-H3C-13-H2C-13-N
  247775.9640  0.0024 -5.2023 3  323.3871 93  58516 30346 542      46 343        C-13-H3C-13-H2C-13-N
  248035.1760  0.0300 -3.6427 3  121.5701 61 -58516 30330 030      29 129        C-13-H3C-13-H2C-13-N
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  248118.4897  0.0028 -5.7370 3   52.3875 19  58516 303 9 8 1      10 7 4        C-13-H3C-13-H2C-13-N
  248118.4897  0.0028 -5.7370 3   52.3875 19  58516 303 9 8 2      10 7 3        C-13-H3C-13-H2C-13-N
  248128.8380  0.0300 -4.2861 3  440.2515109 -58516 30354 550      54 451        C-13-H3C-13-H2C-13-N
  248166.1889  0.0024 -5.1916 3  379.5486101  58516 30350 546      50 347        C-13-H3C-13-H2C-13-N
  248217.1250  0.0300 -4.2461 3  448.5282109 -58516 30354 649      54 550        C-13-H3C-13-H2C-13-N
  248279.2040  0.0300 -2.6052 3  121.5701 61 -58516 30330 130      29 129        C-13-H3C-13-H2C-13-N
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  248508.4562  0.0032 -5.9164 3   53.0396 37  58516 30318 415      18 216        C-13-H3C-13-H2C-13-N
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  248531.8980  0.0033 -5.5034 3  760.3669121  58516 303601843      611744        C-13-H3C-13-H2C-13-N
  248587.4580  0.0300 -3.6407 3  121.5598 61 -58516 30330 130      29 029        C-13-H3C-13-H2C-13-N
  248592.5540  0.0300 -3.8089 3  127.1950 61 -58516 30330 129      29 228        C-13-H3C-13-H2C-13-N
  248633.9018  0.0172 -5.7831 3  799.8389147  58516 30373 668      72 765        C-13-H3C-13-H2C-13-N
  248925.5082  0.0035 -6.5869 3  288.0784 83  58516 30341 833      42 636        C-13-H3C-13-H2C-13-N
  248942.1161  0.0036 -5.1153 3  371.8288101  58516 30350 447      50 248        C-13-H3C-13-H2C-13-N
  249011.2148  0.0022 -6.5204 3   11.3984 19  58516 303 9 3 6       8 1 7        C-13-H3C-13-H2C-13-N
  249103.0970  0.0058 -5.5340 3  875.8686151  58516 30375 966      741065        C-13-H3C-13-H2C-13-N
  249161.9147  0.0024 -5.2092 3  310.0108 91  58516 30345 541      45 342        C-13-H3C-13-H2C-13-N
  249163.7760  0.0300 -4.2908 3  490.1118113 -58516 30356 749      56 650        C-13-H3C-13-H2C-13-N
  249223.2712  0.0028 -5.1271 3   82.3141 29  58516 30314 9 5      15 8 8        C-13-H3C-13-H2C-13-N
  249223.2712  0.0028 -5.1271 3   82.3141 29  58516 30314 9 6      15 8 7        C-13-H3C-13-H2C-13-N
  249246.3166  0.0066 -6.1169 3   59.3020 41  58516 30320 317      20 120        C-13-H3C-13-H2C-13-N
  249401.1889  0.0037 -5.7047 3  878.5242131  58516 303651946      661849        C-13-H3C-13-H2C-13-N
  249401.1889  0.0037 -5.7047 3  878.5242131  58516 303651947      661848        C-13-H3C-13-H2C-13-N
  249616.7201  0.0041 -5.0655 3  612.3722127  58516 30363 756      62 855        C-13-H3C-13-H2C-13-N
  249703.5346  0.0024 -5.1928 3  394.2504103  58516 30351 547      51 348        C-13-H3C-13-H2C-13-N
  249741.8430  0.0196 -5.6007 3 1263.9917183  58516 30391 982      91 883        C-13-H3C-13-H2C-13-N
  249796.3311  0.0528 -6.0710 3 1516.2862201  58516 303A0 991      A0 892        C-13-H3C-13-H2C-13-N
  249836.1367  0.0069 -4.3021 3  308.5938 93  58516 30346 344      46 245        C-13-H3C-13-H2C-13-N
  250048.3942  0.0068 -5.0951 3  308.5867 93  58516 30346 344      46 145        C-13-H3C-13-H2C-13-N
  250053.1265  0.0066 -4.6433 3  676.1429135  58516 30367 562      67 463        C-13-H3C-13-H2C-13-N
  250251.2139  0.0027 -4.9115 3  120.9428 39  58516 3031910 9      20 912        C-13-H3C-13-H2C-13-N
  250251.2139  0.0027 -4.9115 3  120.9428 39  58516 303191010      20 911        C-13-H3C-13-H2C-13-N
  250302.6324  0.0044 -5.9276 3 1005.3118141  58516 303702050      711953        C-13-H3C-13-H2C-13-N
  250302.6324  0.0044 -5.9276 3 1005.3118141  58516 303702051      711952        C-13-H3C-13-H2C-13-N
  250353.6188  0.0024 -4.2654 3  464.4047111  58516 30355 650      55 551        C-13-H3C-13-H2C-13-N
  250404.1920  0.0500 -2.6216 3  123.9657 59 -58516 30329 327      28 326        C-13-H3C-13-H2C-13-N
  250494.2995  0.0253 -5.2754 3 1067.9491169  58516 30384 777      84 678        C-13-H3C-13-H2C-13-N
  250648.9294  0.0035 -6.5814 3  288.0207 83  58516 30341 834      42 637        C-13-H3C-13-H2C-13-N
  251018.6564  0.0072 -5.8033 3 1025.2236163  58516 303811072      801169        C-13-H3C-13-H2C-13-N
  251049.4800  0.0500 -2.8103 3  191.6614 59 -58516 303291019      281018        C-13-H3C-13-H2C-13-N
  251049.4800  0.0500 -2.8103 3  191.6614 59 -58516 303291020      281019        C-13-H3C-13-H2C-13-N
  251050.9847  0.0127 -5.2248 3  250.4452 85  58516 30342 141      42 142        C-13-H3C-13-H2C-13-N
  251051.6250  0.0500 -2.8553 3  207.2611 59 -58516 303291118      281117        C-13-H3C-13-H2C-13-N
  251051.6250  0.0500 -2.8553 3  207.2611 59 -58516 303291119      281118        C-13-H3C-13-H2C-13-N
  251064.2902  0.0127 -4.4788 3  250.4447 85  58516 30342 141      42 042        C-13-H3C-13-H2C-13-N
  251071.6700  0.0500 -2.7698 3  177.5396 59 -58516 30329 921      28 920        C-13-H3C-13-H2C-13-N
  251071.5663  0.0012 -2.7698 3  177.5396 59  58516 30329 920      28 919        C-13-H3C-13-H2C-13-N
  251071.8014  0.0013 -2.9049 3  224.3330 59  58516 303291217      281216        C-13-H3C-13-H2C-13-N
  251071.8014  0.0013 -2.9049 3  224.3330 59  58516 303291218      281217        C-13-H3C-13-H2C-13-N
  251106.0510  0.0500 -2.9592 3  242.8715 59 -58516 303291316      281315        C-13-H3C-13-H2C-13-N
  251106.0510  0.0500 -2.9592 3  242.8715 59 -58516 303291317      281316        C-13-H3C-13-H2C-13-N
  251126.8123  0.0025 -5.2177 3  296.9019 89  58516 30344 540      44 341        C-13-H3C-13-H2C-13-N
  251128.3320  0.0300 -2.7337 3  164.9019 59 -58516 30329 822      28 821        C-13-H3C-13-H2C-13-N
  251128.3320  0.0300 -2.7337 3  164.9019 59 -58516 30329 821      28 820        C-13-H3C-13-H2C-13-N
  251151.9270  0.0500 -3.0185 3  262.8711 59 -58516 303291415      281414        C-13-H3C-13-H2C-13-N
  251151.9270  0.0500 -3.0185 3  262.8711 59 -58516 303291416      281415        C-13-H3C-13-H2C-13-N
  251207.6120  0.0500 -3.0830 3  284.3258 59 -58516 303291514      281513        C-13-H3C-13-H2C-13-N
  251207.6120  0.0500 -3.0830 3  284.3258 59 -58516 303291515      281514        C-13-H3C-13-H2C-13-N
  251211.8782  0.0026 -4.8236 3  168.2719 49  58516 303241113      251016        C-13-H3C-13-H2C-13-N
  251211.8782  0.0026 -4.8236 3  168.2719 49  58516 303241114      251015        C-13-H3C-13-H2C-13-N
  251238.8071  0.0012 -2.7018 3  153.7563 59  58516 30329 723      28 722        C-13-H3C-13-H2C-13-N
  251239.0928  0.0012 -2.7018 3  153.7563 59  58516 30329 722      28 721        C-13-H3C-13-H2C-13-N
  251243.9964  0.0066 -6.1713 3 1140.7169151  58516 303752154      762057        C-13-H3C-13-H2C-13-N
  251243.9964  0.0066 -6.1713 3 1140.7169151  58516 303752155      762056        C-13-H3C-13-H2C-13-N
  251271.9950  0.0500 -3.1529 3  307.2296 59 -58516 303291613      281612        C-13-H3C-13-H2C-13-N
  251271.9950  0.0500 -3.1529 3  307.2296 59 -58516 303291614      281613        C-13-H3C-13-H2C-13-N
  251344.2670  0.0500 -3.2286 3  331.5761 59 -58516 303291712      281711        C-13-H3C-13-H2C-13-N
  251344.2670  0.0500 -3.2286 3  331.5761 59 -58516 303291713      281712        C-13-H3C-13-H2C-13-N
  251423.6310  0.0500 -3.3105 3  357.3588 59 -58516 303291811      281810        C-13-H3C-13-H2C-13-N
  251423.6310  0.0500 -3.3105 3  357.3588 59 -58516 303291812      281811        C-13-H3C-13-H2C-13-N
  251437.7830  0.0500 -2.6740 3  144.1138 59 -58516 30329 624      28 623        C-13-H3C-13-H2C-13-N
  251445.9580  0.0500 -2.6740 3  144.1143 59 -58516 30329 623      28 622        C-13-H3C-13-H2C-13-N
  251446.7620  0.0018 -4.1814 3   22.5948 23  58516 30311 4 8      10 3 7        C-13-H3C-13-H2C-13-N
  251498.5114  0.0063 -5.4603 3   59.2269 41  58516 30320 317      20 020        C-13-H3C-13-H2C-13-N
  251509.6476  0.0016 -3.3991 3  384.5707 59  58516 303291910      2819 9        C-13-H3C-13-H2C-13-N
  251509.6476  0.0016 -3.3991 3  384.5707 59  58516 303291911      281910        C-13-H3C-13-H2C-13-N
  251524.6886  0.0024 -4.1754 3   47.7302 37  58516 30318 316      17 215        C-13-H3C-13-H2C-13-N
  251563.4999  0.0127 -4.4771 3  250.4452 85  58516 30342 241      42 142        C-13-H3C-13-H2C-13-N
  251576.2325  0.0018 -4.1811 3   22.5906 23  58516 30311 4 7      10 3 8        C-13-H3C-13-H2C-13-N
  251576.8055  0.0127 -5.2232 3  250.4447 85  58516 30342 241      42 042        C-13-H3C-13-H2C-13-N
  251598.4100  0.0035 -6.5749 3  171.3747 63  58516 30331 724      32 527        C-13-H3C-13-H2C-13-N
  251602.0110  0.0300 -3.4953 3  413.2047 59 -58516 3032920 9      2820 8        C-13-H3C-13-H2C-13-N
  251602.0110  0.0300 -3.4953 3  413.2047 59 -58516 303292010      2820 9        C-13-H3C-13-H2C-13-N
  251625.4584  0.0032 -5.9819 3   47.7302 35  58516 30317 414      17 215        C-13-H3C-13-H2C-13-N
  251700.4020  0.0300 -3.5999 3  443.2532 59 -58516 3032921 8      2821 7        C-13-H3C-13-H2C-13-N
  251700.4020  0.0300 -3.5999 3  443.2532 59 -58516 3032921 9      2821 8        C-13-H3C-13-H2C-13-N
  251725.0964  0.0037 -4.6586 3  381.3977101  58516 30350 545      49 644        C-13-H3C-13-H2C-13-N
  251752.0670  0.0500 -2.6501 3  135.9905 59 -58516 30329 525      28 524        C-13-H3C-13-H2C-13-N
  251773.0447  0.0025 -5.1955 3  409.2166105  58516 30352 548      52 349        C-13-H3C-13-H2C-13-N
  251804.5220  0.0500 -3.7144 3  474.7084 59 -58516 3032922 7      2822 6        C-13-H3C-13-H2C-13-N
  251804.5220  0.0500 -3.7144 3  474.7084 59 -58516 3032922 8      2822 7        C-13-H3C-13-H2C-13-N
  251819.0302  0.0100 -6.3827 3 1332.5418185  58516 303921281      911378        C-13-H3C-13-H2C-13-N
  251864.4320  0.0300 -2.6312 3  129.3687 59 -58516 30329 426      28 425        C-13-H3C-13-H2C-13-N
  251868.0520  0.0071 -6.6046 3  484.3920111  58516 30355 848      56 551        C-13-H3C-13-H2C-13-N
  251905.3180  0.0500 -2.6496 3  136.0032 59 -58516 30329 524      28 523        C-13-H3C-13-H2C-13-N
  251914.2640  0.0500 -3.8410 3  507.5622 59 -58516 3032923 6      2823 5        C-13-H3C-13-H2C-13-N
  251914.2640  0.0500 -3.8410 3  507.5622 59 -58516 3032923 7      2823 6        C-13-H3C-13-H2C-13-N
  251980.9779  0.0099 -6.3821 3 1332.5414185  58516 303921280      911379        C-13-H3C-13-H2C-13-N
  252021.3532  0.0081 -5.6066 3  695.8906137  58516 30368 563      68 564        C-13-H3C-13-H2C-13-N
  252029.3242  0.0023 -3.9828 3  541.8065 59  58516 3032924 5      2824 4        C-13-H3C-13-H2C-13-N
  252029.3242  0.0023 -3.9828 3  541.8065 59  58516 3032924 6      2824 5        C-13-H3C-13-H2C-13-N
  252116.8915  0.0024 -4.8053 3  224.2981 59  58516 303291217      301120        C-13-H3C-13-H2C-13-N
  252116.8915  0.0024 -4.8053 3  224.2981 59  58516 303291218      301119        C-13-H3C-13-H2C-13-N
  252149.6801  0.0025 -4.1454 3  577.4325 59  58516 3032925 4      2825 3        C-13-H3C-13-H2C-13-N
  252149.6801  0.0025 -4.1454 3  577.4325 59  58516 3032925 5      2825 4        C-13-H3C-13-H2C-13-N
  252206.6890  0.0075 -4.8144 3  821.2679147  58516 30373 865      73 766        C-13-H3C-13-H2C-13-N
  252232.4694  0.0116 -6.4354 3 1284.7258161  58516 303802258      812161        C-13-H3C-13-H2C-13-N
  252232.4694  0.0116 -6.4354 3 1284.7258161  58516 303802259      812160        C-13-H3C-13-H2C-13-N
  252270.1068  0.0179 -5.9638 3  894.8169155  58516 30377 671      77 672        C-13-H3C-13-H2C-13-N
  252275.1760  0.0500 -4.3390 3  614.4314 59 -58516 3032926 3      2826 2        C-13-H3C-13-H2C-13-N
  252275.1760  0.0500 -4.3390 3  614.4314 59 -58516 3032926 4      2826 3        C-13-H3C-13-H2C-13-N
  252276.5284  0.0066 -5.1954 3  620.6985129  58516 30364 659      63 756        C-13-H3C-13-H2C-13-N
  252405.6710  0.0300 -4.5868 3  652.7943 59 -58516 3032927 2      2827 1        C-13-H3C-13-H2C-13-N
  252405.6710  0.0300 -4.5868 3  652.7943 59 -58516 3032927 3      2827 2        C-13-H3C-13-H2C-13-N
  252541.0635  0.0038 -4.9624 3  692.5117 59  58516 3032928 1      2828 0        C-13-H3C-13-H2C-13-N
  252541.0635  0.0038 -4.9624 3  692.5117 59  58516 3032928 2      2828 1        C-13-H3C-13-H2C-13-N
  252584.2295  0.0072 -5.7977 3 1025.2201163  58516 303811071      801170        C-13-H3C-13-H2C-13-N
  252695.9038  0.0154 -5.6960 3  778.7122145  58516 30372 667      71 764        C-13-H3C-13-H2C-13-N
  252742.2450  0.0300 -4.2850 3  480.5599113 -58516 30356 651      56 552        C-13-H3C-13-H2C-13-N
  252962.8751  0.0035 -6.5708 3  171.3291 63  58516 30331 725      32 528        C-13-H3C-13-H2C-13-N
  252963.4214  0.0051 -4.7393 3   34.2813 33  58516 30316 214      15 115        C-13-H3C-13-H2C-13-N
  252978.4082  0.0022 -4.8347 3  289.0172 69  58516 303341321      351224        C-13-H3C-13-H2C-13-N
  252978.4082  0.0022 -4.8347 3  289.0172 69  58516 303341322      351223        C-13-H3C-13-H2C-13-N
  253008.4450  0.0300 -4.1662 3   16.2600 13 -58516 303 6 5 2       5 4 1        C-13-H3C-13-H2C-13-N
  253008.4450  0.0300 -4.1662 3   16.2600 13 -58516 303 6 5 1       5 4 2        C-13-H3C-13-H2C-13-N
  253021.6951  0.0052 -5.1746 3  668.1170133  58516 30366 760      65 857        C-13-H3C-13-H2C-13-N
  253034.2810  0.0300 -4.2999 3  455.9644111 -58516 30355 551      55 452        C-13-H3C-13-H2C-13-N
  253170.9574  0.0075 -5.1079 3  321.7113 95  58516 30347 245      47 246        C-13-H3C-13-H2C-13-N
  253216.9240  0.0300 -4.2752 3  386.3050103 -58516 30351 448      51 349        C-13-H3C-13-H2C-13-N
  253246.6220  0.0300 -4.2552 3  473.7076111 -58516 30355 748      55 649        C-13-H3C-13-H2C-13-N
  253340.6450  0.0075 -4.3166 3  321.7057 95  58516 30347 245      47 146        C-13-H3C-13-H2C-13-N
  253442.6550  0.0500 -2.6262 3  129.5505 59 -58516 30329 425      28 424        C-13-H3C-13-H2C-13-N
  253526.8766  0.0191 -5.5436 3 1237.3385181  58516 30390 981      90 882        C-13-H3C-13-H2C-13-N
  253646.3971  0.0025 -5.2280 3  284.0622 87  58516 30343 539      43 340        C-13-H3C-13-H2C-13-N
  253652.7577  0.0389 -5.6928 3 1309.6841187  58516 30393 885      93 786        C-13-H3C-13-H2C-13-N
  253808.4450  0.0300 -4.9013 3  362.4237 79 -58516 303391425      401328        C-13-H3C-13-H2C-13-N
  253808.4450  0.0300 -4.9013 3  362.4237 79 -58516 303391426      401327        C-13-H3C-13-H2C-13-N
  253814.1979  0.0060 -5.3383 3  538.6054121  58516 30360 456      60 457        C-13-H3C-13-H2C-13-N
  254091.7137  0.0601 -6.1175 3 1545.6504203  58516 303A1 992      A1 893        C-13-H3C-13-H2C-13-N
  254221.5730  0.0300 -4.0209 3  159.0669 67 -58516 30333 231      32 330        C-13-H3C-13-H2C-13-N
  254343.5801  0.0027 -5.1994 3  424.4474107  58516 30353 549      53 350        C-13-H3C-13-H2C-13-N
  254422.9260  0.0300 -2.5977 3  127.1950 61 -58516 30330 229      29 228        C-13-H3C-13-H2C-13-N
  254484.7300  0.0300 -3.7942 3  118.7064 59 -58516 30329 228      28 127        C-13-H3C-13-H2C-13-N
  254495.0513  0.0031 -6.0518 3   42.7193 33  58516 30316 413      16 214        C-13-H3C-13-H2C-13-N
  254580.9507  0.0053 -5.1660 3  415.9554107  58516 30353 350      53 351        C-13-H3C-13-H2C-13-N
  254592.8421  0.0052 -6.5083 3  170.9138 65  58516 30332 627      33 330        C-13-H3C-13-H2C-13-N
  254618.4120  0.0023 -4.9992 3  444.5108 89  58516 303441529      451432        C-13-H3C-13-H2C-13-N
  254618.4120  0.0023 -4.9992 3  444.5108 89  58516 303441530      451431        C-13-H3C-13-H2C-13-N
  254634.8271  0.0039 -5.1198 3  386.2577103  58516 30351 448      51 249        C-13-H3C-13-H2C-13-N
  254693.5665  0.0062 -5.5563 3  897.5463153  58516 30376 968      751065        C-13-H3C-13-H2C-13-N
  254844.4430  0.0300 -2.6007 3  122.2757 59 -58516 30329 227      28 226        C-13-H3C-13-H2C-13-N
  255378.0554  0.0073 -5.2381 3  639.3784131  58516 30365 660      64 757        C-13-H3C-13-H2C-13-N
  255386.4620  0.0300 -4.3049 3  496.9929115 -58516 30357 652      57 553        C-13-H3C-13-H2C-13-N
  255419.3394  0.0025 -5.1248 3  535.2709 99  58516 303491633      501536        C-13-H3C-13-H2C-13-N
  255419.3394  0.0025 -5.1248 3  535.2709 99  58516 303491634      501535        C-13-H3C-13-H2C-13-N
  255529.3090  0.0300 -4.3256 3  415.9238107 -58516 30353 350      53 251        C-13-H3C-13-H2C-13-N
  255568.2530  0.0300 -2.5931 3  126.9624 61 -58516 30330 129      29 128        C-13-H3C-13-H2C-13-N
  255841.5912  0.0138 -5.6140 3  757.8894143  58516 30371 666      70 763        C-13-H3C-13-H2C-13-N
  255969.3473  0.0022 -6.3585 3   14.0566 21  58516 30310 3 7       9 1 8        C-13-H3C-13-H2C-13-N
  256221.5039  0.0029 -5.2758 3  634.6954109  58516 303541737      551640        C-13-H3C-13-H2C-13-N
  256221.5039  0.0029 -5.2758 3  634.6954109  58516 303541738      551639        C-13-H3C-13-H2C-13-N
  256246.9250  0.0300 -3.6155 3  129.8518 63 -58516 30331 031      30 130        C-13-H3C-13-H2C-13-N
  256263.5860  0.0073 -4.3073 3  321.7113 95  58516 30347 345      47 246        C-13-H3C-13-H2C-13-N
  256291.2446  0.0089 -6.0882 3 1186.2771175  58516 303871177      861274        C-13-H3C-13-H2C-13-N
  256417.5190  0.0300 -2.6030 3  125.1700 59 -58516 30329 326      28 325        C-13-H3C-13-H2C-13-N
  256423.0911  0.0055 -5.3406 3  778.4965143  58516 30371 864      70 961        C-13-H3C-13-H2C-13-N
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  260569.3495  0.0113 -6.3680 3 1261.4104159  58516 303792258      802159        C-13-H3C-13-H2C-13-N
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  260703.2590  0.0300 -3.8987 3  550.2133 61 -58516 3033024 7      2924 6        C-13-H3C-13-H2C-13-N
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  260751.4339  0.0024 -4.7916 3  215.6353 57  58516 303281217      291118        C-13-H3C-13-H2C-13-N
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  260956.9780  0.0300 -4.2094 3  622.8464 61 -58516 3033026 5      2926 4        C-13-H3C-13-H2C-13-N
  261091.6810  0.0300 -4.4062 3  661.2136 61 -58516 3033027 3      2927 2        C-13-H3C-13-H2C-13-N
  261091.6810  0.0300 -4.4062 3  661.2136 61 -58516 3033027 4      2927 3        C-13-H3C-13-H2C-13-N
  261185.7186  0.0105 -6.4018 3 1359.0087187  58516 303931282      921379        C-13-H3C-13-H2C-13-N
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  261231.4730  0.0300 -4.6570 3  700.9356 61 -58516 3033028 3      2928 2        C-13-H3C-13-H2C-13-N
  261296.1972  0.0035 -6.5720 3  162.0911 61  58516 30330 723      31 526        C-13-H3C-13-H2C-13-N
  261376.2570  0.0300 -5.0356 3  742.0028 61 -58516 3033029 1      2929 0        C-13-H3C-13-H2C-13-N
  261376.2570  0.0300 -5.0356 3  742.0028 61 -58516 3033029 2      2929 1        C-13-H3C-13-H2C-13-N
  261389.7711  0.0104 -6.4011 3 1359.0083187  58516 303931281      921380        C-13-H3C-13-H2C-13-N
  261392.6984  0.0030 -6.2978 3   29.4842 27  58516 30313 410      13 211        C-13-H3C-13-H2C-13-N
  261398.6060  0.0500 -3.7628 3  126.9624 61 -58516 30330 229      29 128        C-13-H3C-13-H2C-13-N
  261446.3840  0.0028 -4.3455 3  530.6895119  58516 30359 654      59 555        C-13-H3C-13-H2C-13-N
  261601.3350  0.0300 -4.8115 3  278.9110 67 -58516 303331320      341223        C-13-H3C-13-H2C-13-N
  261601.3350  0.0300 -4.8115 3  278.9110 67 -58516 303331321      341222        C-13-H3C-13-H2C-13-N
  261660.9720  0.0300 -4.1299 3   17.9914 15 -58516 303 7 5 3       6 4 2        C-13-H3C-13-H2C-13-N
  261660.9720  0.0300 -4.1299 3   17.9914 15 -58516 303 7 5 2       6 4 3        C-13-H3C-13-H2C-13-N
  261700.4780  0.0418 -5.7269 3 1336.9102189  58516 30394 886      94 787        C-13-H3C-13-H2C-13-N
  262230.4440  0.0500 -4.1214 3   58.6468 41 -58516 30320 318      19 217        C-13-H3C-13-H2C-13-N
  262306.3846  0.0035 -6.5690 3  162.0573 61  58516 30330 724      31 527        C-13-H3C-13-H2C-13-N
  262415.6260  0.0300 -4.8707 3  350.8749 77 -58516 303381424      391327        C-13-H3C-13-H2C-13-N
  262415.6260  0.0300 -4.8707 3  350.8749 77 -58516 303381425      391326        C-13-H3C-13-H2C-13-N
  262469.7210  0.0300 -2.5984 3  138.0045 61 -58516 30330 426      29 425        C-13-H3C-13-H2C-13-N
  262497.7733  0.0055 -5.1682 3  431.1869109  58516 30354 351      54 352        C-13-H3C-13-H2C-13-N
  262595.1339  0.0078 -5.8081 3 1048.5863165  58516 303821072      811171        C-13-H3C-13-H2C-13-N
  262601.2463  0.0046 -5.0545 3  630.6189129  58516 30364 757      63 856        C-13-H3C-13-H2C-13-N
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  266517.4170  0.0029 -5.3117 3   73.9423 25  58516 30312 9 4      13 8 5        C-13-H3C-13-H2C-13-N
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  267542.3515  0.0028 -4.9684 3  109.6824 35  58516 3031710 8      18 9 9        C-13-H3C-13-H2C-13-N
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  268013.9532  0.0062 -6.0449 3 1097.2248147  58516 303732153      742054        C-13-H3C-13-H2C-13-N
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  268360.7590  0.0500 -2.7955 3  224.2981 63 -58516 303311121      301120        C-13-H3C-13-H2C-13-N
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  268366.4980  0.0300 -2.7522 3  208.6984 63 -58516 303311022      301021        C-13-H3C-13-H2C-13-N
  268376.2590  0.0500 -2.8430 3  241.3713 63 -58516 303311219      301218        C-13-H3C-13-H2C-13-N
  268376.2590  0.0500 -2.8430 3  241.3713 63 -58516 303311220      301219        C-13-H3C-13-H2C-13-N
  268400.9820  0.0500 -2.7132 3  194.5783 63 -58516 30331 923      30 922        C-13-H3C-13-H2C-13-N
  268400.9820  0.0500 -2.7132 3  194.5783 63 -58516 30331 922      30 921        C-13-H3C-13-H2C-13-N
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  268408.1160  0.0500 -2.8951 3  259.9121 63 -58516 303311319      301318        C-13-H3C-13-H2C-13-N
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  268453.4070  0.0500 -2.9516 3  279.9147 63 -58516 303311418      301417        C-13-H3C-13-H2C-13-N
  268470.8303  0.0018 -4.1055 3   29.2481 27  58516 30313 410      12 3 9        C-13-H3C-13-H2C-13-N
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  268477.1820  0.0500 -2.6784 3  181.9447 63 -58516 30331 823      30 822        C-13-H3C-13-H2C-13-N
  268480.1000  0.0300 -3.7334 3  135.4872 63 -58516 30331 230      30 129        C-13-H3C-13-H2C-13-N
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  268494.5914  0.0027 -4.8293 3  154.1229 45  58516 303221112      231013        C-13-H3C-13-H2C-13-N
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  268509.9690  0.0500 -3.0129 3  301.3731 63 -58516 303311517      301516        C-13-H3C-13-H2C-13-N
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  268576.2870  0.0500 -3.0791 3  324.2812 63 -58516 303311616      301615        C-13-H3C-13-H2C-13-N
  268618.3710  0.0500 -2.6475 3  170.8069 63 -58516 30331 725      30 724        C-13-H3C-13-H2C-13-N
  268619.0250  0.0500 -2.6475 3  170.8070 63 -58516 30331 724      30 723        C-13-H3C-13-H2C-13-N
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  268651.3970  0.0500 -3.1504 3  348.6327 63 -58516 303311714      301713        C-13-H3C-13-H2C-13-N
  268651.3970  0.0500 -3.1504 3  348.6327 63 -58516 303311715      301714        C-13-H3C-13-H2C-13-N
  268734.5050  0.0500 -3.2271 3  374.4207 63 -58516 303311813      301812        C-13-H3C-13-H2C-13-N
  268734.5050  0.0500 -3.2271 3  374.4207 63 -58516 303311814      301813        C-13-H3C-13-H2C-13-N
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  268825.0400  0.0300 -3.3095 3  401.6385 63 -58516 303311913      301912        C-13-H3C-13-H2C-13-N
  268848.8928  0.0018 -4.1047 3   29.2360 27  58516 30313 4 9      12 310        C-13-H3C-13-H2C-13-N
  268854.3295  0.0042 -4.3446 3  504.7350117  58516 30358 554      58 455        C-13-H3C-13-H2C-13-N
  268865.1940  0.0500 -2.6205 3  161.1785 63 -58516 30331 626      30 625        C-13-H3C-13-H2C-13-N
  268877.5503  0.0034 -6.5438 3  263.9985 79  58516 30339 831      40 634        C-13-H3C-13-H2C-13-N
  268882.1290  0.0500 -2.6205 3  161.1797 63 -58516 30331 625      30 624        C-13-H3C-13-H2C-13-N
  268909.8694  0.0111 -6.3021 3 1238.3790157  58516 303782256      792159        C-13-H3C-13-H2C-13-N
  268909.8694  0.0111 -6.3021 3 1238.3790157  58516 303782257      792158        C-13-H3C-13-H2C-13-N
  268922.4870  0.0300 -3.3980 3  430.2787 63 -58516 303312011      302010        C-13-H3C-13-H2C-13-N
  268922.4870  0.0300 -3.3980 3  430.2787 63 -58516 303312012      302011        C-13-H3C-13-H2C-13-N
  268935.0139  0.0036 -5.2275 3  488.0222115  58516 30357 553      57 354        C-13-H3C-13-H2C-13-N
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  269026.5110  0.0300 -3.4933 3  460.3338 63 -58516 303312111      302110        C-13-H3C-13-H2C-13-N
  269039.2600  0.0053 -6.5342 3  161.1727 63  58516 30331 626      32 329        C-13-H3C-13-H2C-13-N
  269136.8550  0.0500 -3.5959 3  491.7960 63 -58516 3033122 9      3022 8        C-13-H3C-13-H2C-13-N
  269136.8550  0.0500 -3.5959 3  491.7960 63 -58516 303312210      3022 9        C-13-H3C-13-H2C-13-N
  269192.8374  0.0083 -4.3208 3  348.7598 99  58516 30349 347      49 248        C-13-H3C-13-H2C-13-N
  269213.1460  0.0500 -2.5796 3  146.4608 63 -58516 30331 428      30 427        C-13-H3C-13-H2C-13-N
  269223.9750  0.0500 -2.5974 3  153.0770 63 -58516 30331 527      30 526        C-13-H3C-13-H2C-13-N
  269252.0620  0.0500 -4.1008 3  396.2765101 -58516 30350 743      50 644        C-13-H3C-13-H2C-13-N
  269253.2080  0.0500 -3.7070 3  524.6574 63 -58516 3033123 8      3023 7        C-13-H3C-13-H2C-13-N
  269253.2080  0.0500 -3.7070 3  524.6574 63 -58516 3033123 9      3023 8        C-13-H3C-13-H2C-13-N
  269300.9056  0.0083 -5.1076 3  348.7562 99  58516 30349 347      49 148        C-13-H3C-13-H2C-13-N
  269367.0574  0.0079 -4.6663 3  715.3875139  58516 30369 564      69 465        C-13-H3C-13-H2C-13-N
  269375.4730  0.0500 -3.8280 3  558.9094 63 -58516 3033124 7      3024 6        C-13-H3C-13-H2C-13-N
  269375.4730  0.0500 -3.8280 3  558.9094 63 -58516 3033124 8      3024 7        C-13-H3C-13-H2C-13-N
  269384.3056  0.0025 -4.7818 3  207.2611 55  58516 303271215      281118        C-13-H3C-13-H2C-13-N
  269384.3056  0.0025 -4.7818 3  207.2611 55  58516 303271216      281117        C-13-H3C-13-H2C-13-N
  269414.5377  0.0070 -6.5757 3  467.8881109  58516 30354 847      55 550        C-13-H3C-13-H2C-13-N
  269495.3180  0.0500 -2.5966 3  153.1017 63 -58516 30331 526      30 525        C-13-H3C-13-H2C-13-N
  269503.4970  0.0300 -3.9609 3  594.5436 63 -58516 3033125 6      3025 5        C-13-H3C-13-H2C-13-N
  269503.4970  0.0300 -3.9609 3  594.5436 63 -58516 3033125 7      3025 6        C-13-H3C-13-H2C-13-N
  269508.5774  0.0288 -5.3251 3 1117.3315173  58516 30386 779      86 680        C-13-H3C-13-H2C-13-N
  269512.2078  0.0584 -6.5725 3 1184.8931179  58516 30389 783      88 880        C-13-H3C-13-H2C-13-N
  269559.8423  0.0030 -6.5030 3   21.9908 23  58516 30311 4 7      11 210        C-13-H3C-13-H2C-13-N
  269633.6512  0.0057 -4.7409 3   38.7361 35  58516 30317 215      16 116        C-13-H3C-13-H2C-13-N
  269636.9670  0.0027 -4.1091 3  631.5510 63  58516 3033126 5      3026 4        C-13-H3C-13-H2C-13-N
  269636.9670  0.0027 -4.1091 3  631.5510 63  58516 3033126 6      3026 5        C-13-H3C-13-H2C-13-N
  269722.0104  0.0022 -6.0692 3   20.2512 25  58516 30312 3 9      11 110        C-13-H3C-13-H2C-13-N
  269775.9130  0.0300 -4.2779 3  669.9227 63 -58516 3033127 4      3027 3        C-13-H3C-13-H2C-13-N
  269775.9130  0.0300 -4.2779 3  669.9227 63 -58516 3033127 5      3027 4        C-13-H3C-13-H2C-13-N
  269875.1901  0.0034 -6.5408 3  263.9651 79  58516 30339 832      40 635        C-13-H3C-13-H2C-13-N
  269917.0002  0.0448 -6.3174 3 1674.9921211  58516 303A51095      A5 996        C-13-H3C-13-H2C-13-N
  269920.0930  0.0300 -4.4777 3  709.6493 63 -58516 3033128 3      3028 2        C-13-H3C-13-H2C-13-N
  269920.0930  0.0300 -4.4777 3  709.6493 63 -58516 3033128 4      3028 3        C-13-H3C-13-H2C-13-N
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  277254.0715  0.0109 -6.2379 3 1215.6319155  58516 303772256      782157        C-13-H3C-13-H2C-13-N
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  277302.9920  0.0500 -3.1167 3  357.5939 65 -58516 303321716      311715        C-13-H3C-13-H2C-13-N
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  277387.8460  0.0500 -3.1914 3  383.3847 65 -58516 303321814      311813        C-13-H3C-13-H2C-13-N
  277387.8460  0.0500 -3.1914 3  383.3847 65 -58516 303321815      311814        C-13-H3C-13-H2C-13-N
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  277495.2421  0.0019 -4.0702 3   32.9930 29  58516 30314 410      13 311        C-13-H3C-13-H2C-13-N
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  277580.3630  0.0300 -3.3571 3  439.2490 65 -58516 303322012      312011        C-13-H3C-13-H2C-13-N
  277580.3630  0.0300 -3.3571 3  439.2490 65 -58516 303322013      312012        C-13-H3C-13-H2C-13-N
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  277687.1660  0.0300 -3.4488 3  469.3076 65 -58516 303322112      312111        C-13-H3C-13-H2C-13-N
  277778.5150  0.0500 -3.9183 3  178.3008 71 -58516 30335 233      34 332        C-13-H3C-13-H2C-13-N
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  277836.4309  0.0023 -4.2112 3  488.9904113  58516 30356 750      56 651        C-13-H3C-13-H2C-13-N
  277852.7028  0.0062 -5.1785 3  462.4618113  58516 30356 353      56 354        C-13-H3C-13-H2C-13-N
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  283807.3218  0.0029 -5.6928 3   66.7256 21  58516 30310 9 2      11 8 3        C-13-H3C-13-H2C-13-N
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  284796.2312  0.0058 -5.9252 3 1054.8725143  58516 303712151      722052        C-13-H3C-13-H2C-13-N
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  284995.1330  0.0300 -3.9965 3   91.1028 51 -58516 30325 323      24 222        C-13-H3C-13-H2C-13-N
  285033.7596  0.0168 -5.1957 3 1083.5174169  58516 30384 975      84 876        C-13-H3C-13-H2C-13-N
  285156.2402  0.0059 -6.4567 3  278.5666 85  58516 30342 636      43 341        C-13-H3C-13-H2C-13-N
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  285601.9971  0.0107 -6.1753 3 1193.1692153  58516 303762255      772156        C-13-H3C-13-H2C-13-N
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  285750.9710  0.0300 -2.8959 3  298.1125 67 -58516 303331420      321419        C-13-H3C-13-H2C-13-N
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  285771.2083  0.0028 -4.8604 3  141.1290 41  58516 303201110      211011        C-13-H3C-13-H2C-13-N
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  285807.7430  0.0300 -2.9547 3  319.5747 67 -58516 303331519      321518        C-13-H3C-13-H2C-13-N
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  285831.9020  0.0500 -2.6317 3  200.1450 67 -58516 30333 825      32 824        C-13-H3C-13-H2C-13-N
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  285875.5730  0.0500 -3.0181 3  342.4873 67 -58516 303331618      321617        C-13-H3C-13-H2C-13-N
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  285953.1780  0.0500 -3.0862 3  366.8437 67 -58516 303331717      321716        C-13-H3C-13-H2C-13-N
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  286009.9770  0.0500 -2.6017 3  189.0173 67 -58516 30333 726      32 725        C-13-H3C-13-H2C-13-N
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  286448.7950  0.0194 -6.4459 3 1340.0663163  58516 303812359      822260        C-13-H3C-13-H2C-13-N
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  288880.9608  0.0034 -6.5122 3  241.0764 75  58516 30337 830      38 633        C-13-H3C-13-H2C-13-N
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  288965.8910  0.0300 -4.8663 3  394.2778 81 -58516 303401526      411427        C-13-H3C-13-H2C-13-N
  288986.1629  0.0057 -6.4416 3  254.3589 81  58516 30340 634      41 339        C-13-H3C-13-H2C-13-N
  288986.3380  0.0300 -3.5270 3  165.6999 71 -58516 30335 035      34 134        C-13-H3C-13-H2C-13-N
  289058.8082  0.0016 -3.8222 3  144.1143 57  58516 30328 721      28 622        C-13-H3C-13-H2C-13-N
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  289074.4120  0.0016 -3.8221 3  144.1138 57  58516 30328 722      28 623        C-13-H3C-13-H2C-13-N
  289080.6260  0.0500 -2.4992 3  165.6968 71 -58516 30335 035      34 034        C-13-H3C-13-H2C-13-N
  289088.8240  0.0500 -3.9722 3   98.4675 53 -58516 30326 324      25 223        C-13-H3C-13-H2C-13-N
  289115.2990  0.0500 -3.8738 3  188.3359 73 -58516 30336 234      35 333        C-13-H3C-13-H2C-13-N
  289151.7594  0.0493 -5.8283 3 1420.1168195  58516 30397 889      97 790        C-13-H3C-13-H2C-13-N
  289154.6280  0.0500 -3.5265 3  165.6968 71 -58516 30335 135      34 034        C-13-H3C-13-H2C-13-N
  289241.4161  0.0016 -3.8234 3  136.0175 55  58516 30327 720      27 621        C-13-H3C-13-H2C-13-N
  289251.5997  0.0016 -3.8234 3  136.0172 55  58516 30327 721      27 622        C-13-H3C-13-H2C-13-N
  289401.8929  0.0016 -3.8261 3  128.2111 53  58516 30326 719      26 620        C-13-H3C-13-H2C-13-N
  289408.4253  0.0016 -3.8261 3  128.2109 53  58516 30326 720      26 621        C-13-H3C-13-H2C-13-N
  289464.5486  0.0120 -6.4692 3 1440.1199193  58516 303961285      951382        C-13-H3C-13-H2C-13-N
  289542.2220  0.0017 -3.8303 3  120.6950 51  58516 30325 718      25 619        C-13-H3C-13-H2C-13-N
  289546.3351  0.0017 -3.8303 3  120.6949 51  58516 30325 719      25 620        C-13-H3C-13-H2C-13-N
  289611.1401  0.0076 -5.3586 3  609.5919129  58516 30364 460      64 461        C-13-H3C-13-H2C-13-N
  289663.0384  0.0096 -5.8608 3 1120.4206171  58516 303851076      841173        C-13-H3C-13-H2C-13-N
  289664.4100  0.1000 -3.8360 3  113.4690 49 -58516 30324 717      24 618        C-13-H3C-13-H2C-13-N
  289666.7588  0.0017 -3.8360 3  113.4689 49  58516 30324 718      24 619        C-13-H3C-13-H2C-13-N
  289674.3830  0.0300 -4.9696 3  479.2753 91 -58516 303451629      461532        C-13-H3C-13-H2C-13-N
  289674.3830  0.0300 -4.9696 3  479.2753 91 -58516 303451630      461531        C-13-H3C-13-H2C-13-N
  289711.6758  0.0317 -5.3766 3 1167.7427177  58516 30388 781      88 682        C-13-H3C-13-H2C-13-N
  289736.2290  0.0300 -2.5273 3  165.1773 67 -58516 30333 429      32 428        C-13-H3C-13-H2C-13-N
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  289771.0968  0.0018 -3.8434 3  106.5329 47  58516 30323 717      23 618        C-13-H3C-13-H2C-13-N
  289803.3756  0.0313 -5.9939 3 1524.6186201  58516 303A01090      A0 991        C-13-H3C-13-H2C-13-N
  289859.8071  0.0018 -3.8526 3   99.8868 45  58516 30322 715      22 616        C-13-H3C-13-H2C-13-N
  289860.7110  0.0018 -3.8526 3   99.8868 45  58516 30322 716      22 617        C-13-H3C-13-H2C-13-N
  289864.5392  0.0121 -6.4679 3 1440.1191193  58516 303961284      951383        C-13-H3C-13-H2C-13-N
  289927.3933  0.0057 -5.0366 3  667.9850133  58516 30366 759      65 858        C-13-H3C-13-H2C-13-N
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  289936.9174  0.0019 -3.8638 3   93.5304 43  58516 30321 715      21 616        C-13-H3C-13-H2C-13-N
  289968.9750  0.0300 -4.5077 3  686.2993135 -58516 30367 761      67 662        C-13-H3C-13-H2C-13-N
  290000.6912  0.0019 -3.8771 3   87.4636 41  58516 30320 713      20 614        C-13-H3C-13-H2C-13-N
  290000.9812  0.0019 -3.8771 3   87.4636 41  58516 30320 714      20 615        C-13-H3C-13-H2C-13-N
  290053.9567  0.0019 -3.8928 3   81.6864 39  58516 30319 712      19 613        C-13-H3C-13-H2C-13-N
  290054.1136  0.0019 -3.8928 3   81.6864 39  58516 30319 713      19 614        C-13-H3C-13-H2C-13-N
  290097.4350  0.0500 -3.9111 3   76.1987 37 -58516 30318 711      18 612        C-13-H3C-13-H2C-13-N
  290097.4350  0.0500 -3.9111 3   76.1987 37 -58516 30318 712      18 613        C-13-H3C-13-H2C-13-N
  290132.1010  0.0500 -3.9325 3   71.0003 35 -58516 30317 710      17 611        C-13-H3C-13-H2C-13-N
  290132.1010  0.0500 -3.9325 3   71.0003 35 -58516 30317 711      17 612        C-13-H3C-13-H2C-13-N
  290159.2030  0.0500 -3.9574 3   66.0912 33 -58516 30316 7 9      16 610        C-13-H3C-13-H2C-13-N
  290159.2030  0.0500 -3.9574 3   66.0912 33 -58516 30316 710      16 611        C-13-H3C-13-H2C-13-N
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  290179.5330  0.0500 -3.9864 3   61.4713 31 -58516 30315 7 8      15 6 9        C-13-H3C-13-H2C-13-N
  290179.5330  0.0500 -3.9864 3   61.4713 31 -58516 30315 7 9      15 610        C-13-H3C-13-H2C-13-N
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  290194.1530  0.0500 -4.0204 3   57.1405 29 -58516 30314 7 8      14 6 9        C-13-H3C-13-H2C-13-N
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  290201.3426  0.0025 -4.7697 3   34.9147 15  58516 303 7 7 1       7 6 2        C-13-H3C-13-H2C-13-N
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  290203.9490  0.0500 -4.0608 3   53.0987 27 -58516 30313 7 7      13 6 8        C-13-H3C-13-H2C-13-N
  290205.9038  0.0024 -4.4978 3   37.2234 17  58516 303 8 7 1       8 6 2        C-13-H3C-13-H2C-13-N
  290205.9038  0.0024 -4.4978 3   37.2234 17  58516 303 8 7 2       8 6 3        C-13-H3C-13-H2C-13-N
  290209.6350  0.0300 -4.3472 3   39.8209 19 -58516 303 9 7 2       9 6 3        C-13-H3C-13-H2C-13-N
  290209.6350  0.0300 -4.3472 3   39.8209 19 -58516 303 9 7 3       9 6 4        C-13-H3C-13-H2C-13-N
  290209.6350  0.0300 -4.1094 3   49.3459 25 -58516 30312 7 5      12 6 6        C-13-H3C-13-H2C-13-N
  290209.6350  0.0300 -4.1094 3   49.3459 25 -58516 30312 7 6      12 6 7        C-13-H3C-13-H2C-13-N
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  290211.8053  0.0024 -4.2451 3   42.7071 21  58516 30310 7 4      10 6 5        C-13-H3C-13-H2C-13-N
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  290212.0514  0.0023 -4.1691 3   45.8821 23  58516 30311 7 5      11 6 6        C-13-H3C-13-H2C-13-N
  290368.3689  0.0028 -5.1010 3  572.9429101  58516 303501733      511636        C-13-H3C-13-H2C-13-N
  290368.3689  0.0028 -5.1010 3  572.9429101  58516 303501734      511635        C-13-H3C-13-H2C-13-N
  290370.6560  0.0300 -4.4989 3  657.2734133 -58516 30366 661      66 562        C-13-H3C-13-H2C-13-N
  290434.1407  0.0185 -5.2505 3  325.4077 97  58516 30348 147      48 148        C-13-H3C-13-H2C-13-N
  290437.1131  0.0185 -4.5086 3  325.4076 97  58516 30348 147      48 048        C-13-H3C-13-H2C-13-N
  290535.7300  0.0300 -4.3543 3  318.3219 93 -58516 30346 442      45 541        C-13-H3C-13-H2C-13-N
  290569.6337  0.0185 -4.5082 3  325.4077 97  58516 30348 247      48 148        C-13-H3C-13-H2C-13-N
  290572.6061  0.0185 -5.2501 3  325.4076 97  58516 30348 247      48 048        C-13-H3C-13-H2C-13-N
  290573.3401  0.0038 -5.7242 3   82.0647 47  58516 30323 419      23 222        C-13-H3C-13-H2C-13-N
  290575.6210  0.0300 -3.6569 3  162.6761 69 -58516 30334 233      33 132        C-13-H3C-13-H2C-13-N
  290622.7169  0.0026 -6.3150 3   12.8965 21  58516 30310 3 8       9 0 9        C-13-H3C-13-H2C-13-N
  290696.0029  0.0021 -5.7019 3   31.7233 31  58516 30315 312      14 113        C-13-H3C-13-H2C-13-N
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  290952.9003  0.0160 -5.1385 3 1058.9191167  58516 30383 974      83 875        C-13-H3C-13-H2C-13-N
  291057.8700  0.0032 -5.2579 3  675.2718111  58516 303551837      561740        C-13-H3C-13-H2C-13-N
  291057.8700  0.0032 -5.2579 3  675.2718111  58516 303551838      561739        C-13-H3C-13-H2C-13-N
  291073.2912  0.0058 -5.5047 3   43.3305 37  58516 30318 216      17 017        C-13-H3C-13-H2C-13-N
  291133.3220  0.0300 -4.4873 3  609.5411129 -58516 30364 460      64 361        C-13-H3C-13-H2C-13-N
  291235.6026  0.0031 -5.3554 3  547.0718121  58516 30360 655      60 456        C-13-H3C-13-H2C-13-N
  291262.0458  0.0061 -5.1705 3  478.4910115  58516 30357 454      57 255        C-13-H3C-13-H2C-13-N
  291444.1743  0.0031 -5.3659 3  564.7239123  58516 30361 656      61 457        C-13-H3C-13-H2C-13-N
  291527.7509  0.0090 -6.1402 3   84.2480 49  58516 30324 321      24 124        C-13-H3C-13-H2C-13-N
  291660.2266  0.0031 -5.3462 3  529.6817119  58516 30359 654      59 455        C-13-H3C-13-H2C-13-N
  291752.4130  0.0034 -5.4387 3  786.2524121  58516 303601941      611844        C-13-H3C-13-H2C-13-N
  291752.4130  0.0034 -5.4387 3  786.2524121  58516 303601942      611843        C-13-H3C-13-H2C-13-N
  291808.2600  0.0056 -6.4383 3  242.6663 79  58516 30339 633      40 338        C-13-H3C-13-H2C-13-N
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  292033.4327  0.0058 -4.4135 3  573.5583125  58516 30362 558      62 459        C-13-H3C-13-H2C-13-N
  292265.4365  0.0032 -5.3776 3  582.6380125  58516 30362 657      62 458        C-13-H3C-13-H2C-13-N
  292358.5857  0.0083 -5.3931 3  862.4546151  58516 30375 868      74 965        C-13-H3C-13-H2C-13-N
  292377.5793  0.0471 -6.2574 3 1108.4160173  58516 30386 780      85 877        C-13-H3C-13-H2C-13-N
  292388.9990  0.0300 -4.4426 3  658.3640131 -58516 30365 857      65 758        C-13-H3C-13-H2C-13-N
  292451.5381  0.0029 -6.0961 3   63.5504 19  58516 303 9 9 0      10 8 3        C-13-H3C-13-H2C-13-N
  292451.5381  0.0029 -6.0961 3   63.5504 19  58516 303 9 9 1      10 8 2        C-13-H3C-13-H2C-13-N
  292456.6900  0.0500 -4.5365 3  705.9166137 -58516 30368 762      68 663        C-13-H3C-13-H2C-13-N
  292461.0053  0.0037 -5.6423 3  905.8737131  58516 303652045      661948        C-13-H3C-13-H2C-13-N
  292461.0053  0.0037 -5.6423 3  905.8737131  58516 303652046      661947        C-13-H3C-13-H2C-13-N
  292487.4695  0.0089 -5.4533 3   84.2160 49  58516 30324 321      24 024        C-13-H3C-13-H2C-13-N
  292495.4310  0.0300 -2.5108 3  168.5442 69 -58516 30334 332      33 331        C-13-H3C-13-H2C-13-N
  292502.9060  0.0088 -5.5620 3  964.2647159  58516 30379 970      781069        C-13-H3C-13-H2C-13-N
  292668.5873  0.0068 -5.1958 3  494.8184117  58516 30358 355      58 356        C-13-H3C-13-H2C-13-N
  292730.8342  0.0031 -5.3383 3  512.5542117  58516 30358 653      58 454        C-13-H3C-13-H2C-13-N
  292996.7650  0.0087 -5.6069 3  987.1178161  58516 30380 972      791069        C-13-H3C-13-H2C-13-N
  293006.1240  0.0500 -4.3724 3  494.8071117 -58516 30358 355      58 256        C-13-H3C-13-H2C-13-N
  293107.0420  0.0300 -3.9479 3  106.1191 55 -58516 30327 325      26 224        C-13-H3C-13-H2C-13-N
  293192.1198  0.0056 -5.8677 3 1034.1241141  58516 303702149      712052        C-13-H3C-13-H2C-13-N
  293192.1198  0.0056 -5.8677 3 1034.1241141  58516 303702150      712051        C-13-H3C-13-H2C-13-N
  293220.3040  0.0300 -3.6502 3  172.3686 71 -58516 30335 134      34 233        C-13-H3C-13-H2C-13-N
  293297.6240  0.0100 -5.8495 3 1120.4115171  58516 303851075      841174        C-13-H3C-13-H2C-13-N
  293450.5480  0.0500 -4.0108 3   41.4199 33 -58516 30316 413      15 312        C-13-H3C-13-H2C-13-N
  293469.1511  0.0029 -5.1588 3   94.9579 29  58516 3031410 4      15 9 7        C-13-H3C-13-H2C-13-N
  293469.1511  0.0029 -5.1588 3   94.9579 29  58516 3031410 5      15 9 6        C-13-H3C-13-H2C-13-N
  293610.7582  0.0108 -5.6304 3  776.3688145  58516 30372 567      72 568        C-13-H3C-13-H2C-13-N
  293672.5335  0.0034 -5.3905 3  600.8141127  58516 30363 658      63 459        C-13-H3C-13-H2C-13-N
  293785.2440  0.0036 -5.3824 3  180.9475 69  58516 30334 530      34 331        C-13-H3C-13-H2C-13-N
  293953.6870  0.0104 -6.1142 3 1170.9910151  58516 303752253      762156        C-13-H3C-13-H2C-13-N
  293953.6870  0.0104 -6.1142 3 1170.9910151  58516 303752254      762155        C-13-H3C-13-H2C-13-N
  294255.5811  0.0056 -5.2871 3  573.4842125  58516 30362 558      62 359        C-13-H3C-13-H2C-13-N
  294273.2716  0.0105 -5.1431 3  406.1079107  58516 30353 251      53 252        C-13-H3C-13-H2C-13-N
  294316.5810  0.0105 -4.3627 3  406.1065107  58516 30353 251      53 152        C-13-H3C-13-H2C-13-N
  294322.3960  0.0500 -2.7234 3  252.0188 69 -58516 303341123      331122        C-13-H3C-13-H2C-13-N
  294322.3960  0.0500 -2.7234 3  252.0188 69 -58516 303341124      331123        C-13-H3C-13-H2C-13-N
  294328.5610  0.0300 -2.7687 3  269.0932 69 -58516 303341222      331221        C-13-H3C-13-H2C-13-N
  294328.5610  0.0300 -2.7687 3  269.0932 69 -58516 303341223      331222        C-13-H3C-13-H2C-13-N
  294342.9140  0.0300 -2.6821 3  236.4201 69 -58516 303341024      331023        C-13-H3C-13-H2C-13-N
  294342.9140  0.0300 -2.6821 3  236.4201 69 -58516 303341025      331024        C-13-H3C-13-H2C-13-N
  294355.1730  0.0300 -2.8181 3  287.6371 69 -58516 303341321      331320        C-13-H3C-13-H2C-13-N
  294355.1730  0.0300 -2.8181 3  287.6371 69 -58516 303341322      331321        C-13-H3C-13-H2C-13-N
  294398.1860  0.0500 -2.8717 3  307.6441 69 -58516 303341420      331419        C-13-H3C-13-H2C-13-N
  294398.1860  0.0500 -2.8717 3  307.6441 69 -58516 303341421      331420        C-13-H3C-13-H2C-13-N
  294400.2470  0.0300 -2.6448 3  222.3041 69 -58516 30334 926      33 925        C-13-H3C-13-H2C-13-N
  294400.2470  0.0300 -2.6448 3  222.3041 69 -58516 30334 925      33 924        C-13-H3C-13-H2C-13-N
  294407.9401  0.0028 -4.8880 3  135.0653 39  58516 3031911 8      201011        C-13-H3C-13-H2C-13-N
  294407.9401  0.0028 -4.8880 3  135.0653 39  58516 3031911 9      201010        C-13-H3C-13-H2C-13-N
  294451.3556  0.0032 -5.3317 3  495.6898115  58516 30357 652      57 453        C-13-H3C-13-H2C-13-N
  294454.8350  0.0300 -2.9295 3  329.1082 69 -58516 303341519      331518        C-13-H3C-13-H2C-13-N
  294454.8350  0.0300 -2.9295 3  329.1082 69 -58516 303341520      331519        C-13-H3C-13-H2C-13-N
  294511.5880  0.0300 -2.6113 3  209.6794 69 -58516 30334 827      33 826        C-13-H3C-13-H2C-13-N
  294511.5880  0.0300 -2.6113 3  209.6794 69 -58516 30334 826      33 825        C-13-H3C-13-H2C-13-N
  294523.1950  0.0300 -2.9918 3  352.0230 69 -58516 303341618      331617        C-13-H3C-13-H2C-13-N
  294523.1950  0.0300 -2.9918 3  352.0230 69 -58516 303341619      331618        C-13-H3C-13-H2C-13-N
  294551.2301  0.0103 -5.3106 3  787.4889145  58516 30372 766      71 863        C-13-H3C-13-H2C-13-N
  294601.9490  0.0500 -3.0585 3  376.3821 69 -58516 303341717      331716        C-13-H3C-13-H2C-13-N
  294601.9490  0.0500 -3.0585 3  376.3821 69 -58516 303341718      331717        C-13-H3C-13-H2C-13-N
  294604.7969  0.0113 -6.1632 3 1288.2444183  58516 303911181      901278        C-13-H3C-13-H2C-13-N
  294640.2247  0.0041 -5.6978 3   88.8945 49  58516 30324 420      24 223        C-13-H3C-13-H2C-13-N
  294689.9830  0.0500 -3.1299 3  402.1787 69 -58516 303341816      331815        C-13-H3C-13-H2C-13-N
  294689.9830  0.0500 -3.1299 3  402.1787 69 -58516 303341817      331816        C-13-H3C-13-H2C-13-N
  294707.7100  0.0500 -2.5817 3  198.5574 69 -58516 30334 728      33 727        C-13-H3C-13-H2C-13-N
  294709.9450  0.0500 -2.5817 3  198.5576 69 -58516 30334 727      33 726        C-13-H3C-13-H2C-13-N
  294712.8524  0.0054 -6.4525 3  275.5032 83  58516 30341 735      42 438        C-13-H3C-13-H2C-13-N
  294753.0871  0.0192 -6.3814 3 1316.4609161  58516 303802357      812260        C-13-H3C-13-H2C-13-N
  294753.0871  0.0192 -6.3814 3 1316.4609161  58516 303802358      812259        C-13-H3C-13-H2C-13-N
  294786.6150  0.0500 -3.2061 3  429.4057 69 -58516 303341915      331914        C-13-H3C-13-H2C-13-N
  294786.6150  0.0500 -3.2061 3  429.4057 69 -58516 303341916      331915        C-13-H3C-13-H2C-13-N
  294845.7752  0.0019 -4.0083 3   41.3758 33  58516 30316 412      15 313        C-13-H3C-13-H2C-13-N
  294891.1730  0.0500 -3.2873 3  458.0559 69 -58516 303342014      332013        C-13-H3C-13-H2C-13-N
  294891.1730  0.0500 -3.2873 3  458.0559 69 -58516 303342015      332014        C-13-H3C-13-H2C-13-N
  295003.3300  0.0500 -3.3738 3  488.1217 69 -58516 303342113      332112        C-13-H3C-13-H2C-13-N
  295003.3300  0.0500 -3.3738 3  488.1217 69 -58516 303342114      332113        C-13-H3C-13-H2C-13-N
  295035.5850  0.0500 -2.5557 3  188.9563 69 -58516 30334 629      33 628        C-13-H3C-13-H2C-13-N
  295081.1190  0.0300 -2.5555 3  188.9600 69 -58516 30334 628      33 627        C-13-H3C-13-H2C-13-N
  295122.6230  0.0500 -3.4659 3  519.5953 69 -58516 303342212      332211        C-13-H3C-13-H2C-13-N
  295122.6230  0.0500 -3.4659 3  519.5953 69 -58516 303342213      332212        C-13-H3C-13-H2C-13-N
  295127.2440  0.0300 -2.5173 3  174.2663 69 -58516 30334 431      33 430        C-13-H3C-13-H2C-13-N
  295194.4693  0.0055 -6.4380 3  231.2484 77  58516 30338 632      39 337        C-13-H3C-13-H2C-13-N
  295201.4734  0.0042 -4.5656 3  725.8103139  58516 30369 763      69 664        C-13-H3C-13-H2C-13-N
  295221.6153  0.0104 -4.3602 3  406.1079107  58516 30353 351      53 252        C-13-H3C-13-H2C-13-N
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  302309.1816  0.0103 -6.0546 3 1149.0974149  58516 303742253      752154        C-13-H3C-13-H2C-13-N
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  302978.0860  0.0500 -2.7482 3  278.9110 71 -58516 303351224      341223        C-13-H3C-13-H2C-13-N
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  303002.4641  0.0012 -2.7969 3  297.4557 71  58516 303351323      341322        C-13-H3C-13-H2C-13-N
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  303061.7469  0.0190 -6.3183 3 1293.1394159  58516 303792357      802258        C-13-H3C-13-H2C-13-N
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  303068.0850  0.0500 -2.6259 3  232.1243 71 -58516 30335 926      34 925        C-13-H3C-13-H2C-13-N
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  303169.4990  0.0300 -2.9679 3  361.8473 71 -58516 303351620      341619        C-13-H3C-13-H2C-13-N
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  303192.8640  0.0500 -2.5928 3  219.5032 71 -58516 30335 827      34 826        C-13-H3C-13-H2C-13-N
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  303273.5119  0.0030 -4.3249 3  602.3235125  58516 30362 854      62 755        C-13-H3C-13-H2C-13-N
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  303338.7080  0.0500 -3.1035 3  412.0085 71 -58516 303351818      341817        C-13-H3C-13-H2C-13-N
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  303437.2410  0.0500 -3.1781 3  439.2387 71 -58516 303351917      341916        C-13-H3C-13-H2C-13-N
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  303496.6929  0.0397 -6.0662 3 1058.9191169  58516 30384 778      83 875        C-13-H3C-13-H2C-13-N
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  303544.1390  0.0500 -3.2576 3  467.8924 71 -58516 303352015      342014        C-13-H3C-13-H2C-13-N
  303544.1390  0.0500 -3.2576 3  467.8924 71 -58516 303352016      342015        C-13-H3C-13-H2C-13-N
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  303658.7640  0.0500 -3.3420 3  497.9619 71 -58516 303352115      342114        C-13-H3C-13-H2C-13-N
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  303910.2580  0.0500 -3.5271 3  562.3170 71 -58516 303352313      342312        C-13-H3C-13-H2C-13-N
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  306245.5840  0.0300 -3.9346 3   24.6995 15 -58516 303 7 6 2       6 5 1        C-13-H3C-13-H2C-13-N
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  309045.6697  0.0111 -5.9004 3 1169.7480175  58516 303871078      861175        C-13-H3C-13-H2C-13-N
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  309342.5297  0.0035 -5.5397 3  868.0991127  58516 303632044      641945        C-13-H3C-13-H2C-13-N
  309435.6411  0.0530 -5.8970 3 1476.8603199  58516 30399 891      99 792        C-13-H3C-13-H2C-13-N
  309470.6080  0.0300 -3.9602 3   51.0062 37 -58516 30318 415      17 314        C-13-H3C-13-H2C-13-N
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  309723.9091  0.0039 -5.4519 3  151.7260 63  58516 30331 527      31 328        C-13-H3C-13-H2C-13-N
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  309993.6474  0.0052 -5.7574 3  993.4833137  58516 303682148      692049        C-13-H3C-13-H2C-13-N
  310052.7823  0.0220 -4.5377 3  366.5500103  58516 30351 250      51 151        C-13-H3C-13-H2C-13-N
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  310316.4740  0.0300 -3.6064 3  192.3517 75 -58516 30337 136      36 235        C-13-H3C-13-H2C-13-N
  310475.4423  0.0340 -5.4313 3 1219.1856181  58516 30390 783      90 684        C-13-H3C-13-H2C-13-N
  310497.5494  0.0073 -5.2106 3  528.2483121  58516 30360 457      60 258        C-13-H3C-13-H2C-13-N
  310506.1540  0.0054 -6.4559 3  263.1120 81  58516 30340 734      41 437        C-13-H3C-13-H2C-13-N
  310530.9389  0.0074 -4.4728 3  628.0134131  58516 30365 561      65 462        C-13-H3C-13-H2C-13-N
  310668.5203  0.0101 -5.9965 3 1127.4887147  58516 303732251      742154        C-13-H3C-13-H2C-13-N
  310668.5203  0.0101 -5.9965 3 1127.4887147  58516 303732252      742153        C-13-H3C-13-H2C-13-N
  310750.6371  0.0030 -5.4278 3   86.5855 25  58516 3031210 2      13 9 5        C-13-H3C-13-H2C-13-N
  310750.6371  0.0030 -5.4278 3   86.5855 25  58516 3031210 3      13 9 4        C-13-H3C-13-H2C-13-N
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  310984.9711  0.0027 -5.9345 3   18.8627 25  58516 30312 310      11 011        C-13-H3C-13-H2C-13-N
  311031.4025  0.0166 -5.4850 3  873.0856153  58516 30376 770      75 867        C-13-H3C-13-H2C-13-N
  311374.8053  0.0188 -6.2566 3 1270.1021157  58516 303782355      792258        C-13-H3C-13-H2C-13-N
  311374.8053  0.0188 -6.2566 3 1270.1021157  58516 303782356      792257        C-13-H3C-13-H2C-13-N
  311467.1580  0.0069 -4.5965 3  735.5900141  58516 30370 665      70 566        C-13-H3C-13-H2C-13-N
  311536.2572  0.0024 -4.2204 3  549.0189119  58516 30359 851      59 752        C-13-H3C-13-H2C-13-N
  311626.9580  0.0500 -2.7297 3  289.0172 73 -58516 303361224      351223        C-13-H3C-13-H2C-13-N
  311626.9580  0.0500 -2.7297 3  289.0172 73 -58516 303361225      351224        C-13-H3C-13-H2C-13-N
  311628.5970  0.0500 -2.6856 3  271.9425 73 -58516 303361125      351124        C-13-H3C-13-H2C-13-N
  311628.5970  0.0500 -2.6856 3  271.9425 73 -58516 303361126      351125        C-13-H3C-13-H2C-13-N
  311648.8490  0.0500 -2.7778 3  307.5628 73 -58516 303361323      351322        C-13-H3C-13-H2C-13-N
  311648.8490  0.0500 -2.7778 3  307.5628 73 -58516 303361324      351323        C-13-H3C-13-H2C-13-N
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  311661.1890  0.0300 -2.6453 3  256.3454 73 -58516 303361026      351025        C-13-H3C-13-H2C-13-N
  311679.5625  0.0029 -4.9755 3  123.8041 35  58516 3031711 6      1810 9        C-13-H3C-13-H2C-13-N
  311679.5625  0.0029 -4.9755 3  123.8041 35  58516 3031711 7      1810 8        C-13-H3C-13-H2C-13-N
  311689.3460  0.0300 -2.8299 3  327.5726 73 -58516 303361422      351421        C-13-H3C-13-H2C-13-N
  311689.3460  0.0300 -2.8299 3  327.5726 73 -58516 303361423      351422        C-13-H3C-13-H2C-13-N
  311736.7120  0.0300 -2.6088 3  242.2335 73 -58516 30336 928      35 927        C-13-H3C-13-H2C-13-N
  311736.7120  0.0300 -2.6088 3  242.2335 73 -58516 30336 927      35 926        C-13-H3C-13-H2C-13-N
  311745.2780  0.0300 -2.8861 3  349.0405 73 -58516 303361521      351520        C-13-H3C-13-H2C-13-N
  311745.2780  0.0300 -2.8861 3  349.0405 73 -58516 303361522      351521        C-13-H3C-13-H2C-13-N
  311787.7093  0.0073 -5.3350 3  627.9715131  58516 30365 561      65 362        C-13-H3C-13-H2C-13-N
  311798.5540  0.0300 -2.4671 3  192.3517 75 -58516 30337 236      36 235        C-13-H3C-13-H2C-13-N
  311805.5227  0.0034 -6.0126 3   40.8101 33  58516 30316 412      16 115        C-13-H3C-13-H2C-13-N
  311814.3630  0.0300 -2.9464 3  371.9599 73 -58516 303361620      351619        C-13-H3C-13-H2C-13-N
  311814.3630  0.0300 -2.9464 3  371.9599 73 -58516 303361621      351620        C-13-H3C-13-H2C-13-N
  311835.9375  0.0104 -5.6445 3 1033.6454165  58516 30382 974      811071        C-13-H3C-13-H2C-13-N
  311875.8790  0.0500 -2.5761 3  229.6166 73 -58516 30336 829      35 828        C-13-H3C-13-H2C-13-N
  311875.8790  0.0500 -2.5761 3  229.6166 73 -58516 30336 828      35 827        C-13-H3C-13-H2C-13-N
  311894.8930  0.0300 -3.0109 3  396.3243 73 -58516 303361719      351718        C-13-H3C-13-H2C-13-N
  311894.8930  0.0300 -3.0109 3  396.3243 73 -58516 303361720      351719        C-13-H3C-13-H2C-13-N
  311985.8300  0.0500 -3.0798 3  422.1268 73 -58516 303361818      351817        C-13-H3C-13-H2C-13-N
  311985.8300  0.0500 -3.0798 3  422.1268 73 -58516 303361819      351818        C-13-H3C-13-H2C-13-N
  312086.1310  0.0500 -3.1531 3  449.3603 73 -58516 303361917      351916        C-13-H3C-13-H2C-13-N
  312086.1310  0.0500 -3.1531 3  449.3603 73 -58516 303361918      351917        C-13-H3C-13-H2C-13-N
  312114.8170  0.0500 -2.5471 3  218.5085 73 -58516 30336 730      35 729        C-13-H3C-13-H2C-13-N
  312119.4560  0.0500 -2.5471 3  218.5088 73 -58516 30336 729      35 728        C-13-H3C-13-H2C-13-N
  312136.6610  0.0500 -2.4660 3  192.2910 75 -58516 30337 136      36 135        C-13-H3C-13-H2C-13-N
  312183.3080  0.0500 -2.4687 3  187.5665 73 -58516 30336 234      35 233        C-13-H3C-13-H2C-13-N
  312195.2250  0.0500 -3.2309 3  478.0175 73 -58516 303362016      352015        C-13-H3C-13-H2C-13-N
  312195.2250  0.0500 -3.2309 3  478.0175 73 -58516 303362017      352016        C-13-H3C-13-H2C-13-N
  312259.2391  0.0036 -5.3176 3  415.3606105  58516 30352 647      52 448        C-13-H3C-13-H2C-13-N
  312311.9700  0.0011 -2.4849 3  194.2420 73  58516 30336 433      35 432        C-13-H3C-13-H2C-13-N
  312312.4129  0.0015 -3.3136 3  508.0909 73  58516 303362115      352114        C-13-H3C-13-H2C-13-N
  312312.4129  0.0015 -3.3136 3  508.0909 73  58516 303362116      352115        C-13-H3C-13-H2C-13-N
  312353.9840  0.0300 -3.9557 3   50.9162 37 -58516 30318 414      17 315        C-13-H3C-13-H2C-13-N
  312437.3790  0.0500 -3.4012 3  539.5725 73 -58516 303362214      352213        C-13-H3C-13-H2C-13-N
  312437.3790  0.0500 -3.4012 3  539.5725 73 -58516 303362215      352214        C-13-H3C-13-H2C-13-N
  312447.3453  0.0032 -6.1747 3   22.5709 27  58516 30313 311      12 112        C-13-H3C-13-H2C-13-N
  312466.9073  0.0057 -5.4902 3  715.3875139  58516 30369 664      69 465        C-13-H3C-13-H2C-13-N
  312500.9670  0.0500 -2.5216 3  208.9302 73 -58516 30336 631      35 630        C-13-H3C-13-H2C-13-N
  312532.3732  0.0028 -4.8034 3  169.7208 45  58516 303221210      231113        C-13-H3C-13-H2C-13-N
  312532.3732  0.0028 -4.8034 3  169.7208 45  58516 303221211      231112        C-13-H3C-13-H2C-13-N
  312569.7620  0.0500 -3.4941 3  572.4544 73 -58516 303362313      352312        C-13-H3C-13-H2C-13-N
  312569.7620  0.0500 -3.4941 3  572.4544 73 -58516 303362314      352313        C-13-H3C-13-H2C-13-N
  312584.3340  0.0500 -2.5214 3  208.9375 73 -58516 30336 630      35 629        C-13-H3C-13-H2C-13-N
  312676.0085  0.0124 -5.6563 3  818.2244149  58516 30374 569      74 570        C-13-H3C-13-H2C-13-N
  312709.2550  0.0500 -3.5926 3  606.7279 73 -58516 303362412      352411        C-13-H3C-13-H2C-13-N
  312709.2550  0.0500 -3.5926 3  606.7279 73 -58516 303362413      352412        C-13-H3C-13-H2C-13-N
  312730.6442  0.0063 -4.7157 3  829.3962149  58516 30374 768      74 669        C-13-H3C-13-H2C-13-N
  312731.6817  0.0035 -5.1526 3   95.5521 51  58516 30325 421      25 124        C-13-H3C-13-H2C-13-N
  312855.6390  0.0500 -3.6971 3  642.3847 73 -58516 303362511      352510        C-13-H3C-13-H2C-13-N
  312855.6390  0.0500 -3.6971 3  642.3847 73 -58516 303362512      352511        C-13-H3C-13-H2C-13-N
  312901.1250  0.0300 -2.5000 3  200.8932 73 -58516 30336 532      35 531        C-13-H3C-13-H2C-13-N
  313008.6410  0.0500 -3.8081 3  679.4157 73 -58516 303362610      3526 9        C-13-H3C-13-H2C-13-N
  313008.6410  0.0500 -3.8081 3  679.4157 73 -58516 303362611      352610        C-13-H3C-13-H2C-13-N
  313168.0640  0.0300 -3.9265 3  717.8120 73 -58516 3033627 9      3527 8        C-13-H3C-13-H2C-13-N
  313168.0640  0.0300 -3.9265 3  717.8120 73 -58516 303362710      3527 9        C-13-H3C-13-H2C-13-N
  313255.5145  0.0187 -5.5404 3  895.2453155  58516 30377 771      76 868        C-13-H3C-13-H2C-13-N
  313294.6513  0.0295 -5.8119 3  986.9416163  58516 30381 775      80 872        C-13-H3C-13-H2C-13-N
  313317.6102  0.0026 -4.7414 3  224.3330 55  58516 303271314      281217        C-13-H3C-13-H2C-13-N
  313317.6102  0.0026 -4.7414 3  224.3330 55  58516 303271315      281216        C-13-H3C-13-H2C-13-N
  313333.8565  0.0032 -4.0531 3  757.5641 73  58516 3033628 8      3528 7        C-13-H3C-13-H2C-13-N
  313333.8565  0.0032 -4.0531 3  757.5641 73  58516 3033628 9      3528 8        C-13-H3C-13-H2C-13-N
  313426.9320  0.0500 -3.8289 3  148.6121 65 -58516 30332 330      31 229        C-13-H3C-13-H2C-13-N
  313470.8230  0.0300 -3.4791 3  195.4415 77 -58516 30338 038      37 137        C-13-H3C-13-H2C-13-N
  313478.6773  0.0307 -5.7314 3 1409.5033193  58516 303961086      96 987        C-13-H3C-13-H2C-13-N
  313498.1600  0.0021 -3.9230 3   34.4483 27  58516 30313 5 9      12 4 8        C-13-H3C-13-H2C-13-N
  313505.7723  0.0038 -4.1895 3  798.6625 73  58516 3033629 7      3529 6        C-13-H3C-13-H2C-13-N
  313505.7723  0.0038 -4.1895 3  798.6625 73  58516 3033629 8      3529 7        C-13-H3C-13-H2C-13-N
  313506.0816  0.0021 -3.9230 3   34.4480 27  58516 30313 5 8      12 4 9        C-13-H3C-13-H2C-13-N
  313506.4930  0.0300 -2.4558 3  195.4415 77 -58516 30338 138      37 137        C-13-H3C-13-H2C-13-N
  313516.3680  0.0300 -2.4558 3  195.4400 77 -58516 30338 038      37 037        C-13-H3C-13-H2C-13-N
  313552.0640  0.0300 -3.4789 3  195.4400 77 -58516 30338 138      37 037        C-13-H3C-13-H2C-13-N
  313614.0462  0.0035 -6.1582 3   36.1238 31  58516 30315 411      15 114        C-13-H3C-13-H2C-13-N
  313618.7380  0.0500 -3.5969 3  192.2910 75 -58516 30337 236      36 135        C-13-H3C-13-H2C-13-N
  313669.3116  0.0118 -4.9181 3  963.5587159  58516 30379 970      79 871        C-13-H3C-13-H2C-13-N
  313683.7072  0.0045 -4.3377 3  841.0976 73  58516 3033630 6      3530 5        C-13-H3C-13-H2C-13-N
  313683.7072  0.0045 -4.3377 3  841.0976 73  58516 3033630 7      3530 6        C-13-H3C-13-H2C-13-N
  313693.8888  0.0020 -5.4046 3   45.7805 37  58516 30318 315      17 116        C-13-H3C-13-H2C-13-N
  313782.5138  0.0023 -4.1884 3  531.8540117  58516 30358 850      58 751        C-13-H3C-13-H2C-13-N
  313833.7590  0.0500 -2.4977 3  200.9985 73 -58516 30336 531      35 530        C-13-H3C-13-H2C-13-N
  313867.5387  0.0053 -4.5010 3  884.8593 73  58516 3033631 5      3531 4        C-13-H3C-13-H2C-13-N
  313867.5387  0.0053 -4.5010 3  884.8593 73  58516 3033631 6      3531 5        C-13-H3C-13-H2C-13-N
  313925.6010  0.0127 -6.2106 3 1340.9466187  58516 303931183      921280        C-13-H3C-13-H2C-13-N
  314045.2565  0.0024 -4.7436 3  287.6371 65  58516 303321418      331321        C-13-H3C-13-H2C-13-N
  314045.2565  0.0024 -4.7436 3  287.6371 65  58516 303321419      331320        C-13-H3C-13-H2C-13-N
  314057.1528  0.0064 -4.6849 3  929.9376 73  58516 3033632 4      3532 3        C-13-H3C-13-H2C-13-N
  314057.1528  0.0064 -4.6849 3  929.9376 73  58516 3033632 5      3532 4        C-13-H3C-13-H2C-13-N
  314104.8416  0.0024 -4.0399 3  261.0158 85  58516 30342 339      41 438        C-13-H3C-13-H2C-13-N
  314118.1426  0.0094 -5.3958 3  665.6651135  58516 30367 463      67 464        C-13-H3C-13-H2C-13-N
  314119.6578  0.0080 -5.2332 3  545.3795123  58516 30361 358      61 359        C-13-H3C-13-H2C-13-N
  314252.4432  0.0079 -4.8995 3  976.3222 73  58516 3033633 3      3533 2        C-13-H3C-13-H2C-13-N
  314252.4432  0.0079 -4.8995 3  976.3222 73  58516 3033633 4      3533 3        C-13-H3C-13-H2C-13-N
  314281.8605  0.0122 -5.1778 3  451.9614113  58516 30356 254      56 255        C-13-H3C-13-H2C-13-N
  314298.5299  0.0080 -4.4172 3  545.3735123  58516 30361 358      61 259        C-13-H3C-13-H2C-13-N
  314303.4894  0.0122 -4.4013 3  451.9607113  58516 30356 254      56 155        C-13-H3C-13-H2C-13-N
  314453.3094  0.0099 -5.1681 3 1024.0027 73  58516 3033634 2      3534 1        C-13-H3C-13-H2C-13-N
  314453.3094  0.0099 -5.1681 3 1024.0027 73  58516 3033634 3      3534 2        C-13-H3C-13-H2C-13-N
  314456.9772  0.0120 -5.8844 3 1169.7336175  58516 303871077      861176        C-13-H3C-13-H2C-13-N
  314626.6460  0.0211 -5.6008 3  917.7104157  58516 30378 772      77 869        C-13-H3C-13-H2C-13-N
  314659.6560  0.0128 -5.5644 3 1072.9684 73  58516 3033635 1      3535 0        C-13-H3C-13-H2C-13-N
  314659.6560  0.0128 -5.5644 3 1072.9684 73  58516 3033635 2      3535 1        C-13-H3C-13-H2C-13-N
  314670.3392  0.0264 -5.7366 3  963.5587161  58516 30380 774      79 871        C-13-H3C-13-H2C-13-N
  314725.8713  0.0023 -4.7914 3  359.6281 75  58516 303371522      381425        C-13-H3C-13-H2C-13-N
  314725.8713  0.0023 -4.7914 3  359.6281 75  58516 303371523      381424        C-13-H3C-13-H2C-13-N
  314794.2456  0.0122 -4.4000 3  451.9614113  58516 30356 354      56 255        C-13-H3C-13-H2C-13-N
  314815.8745  0.0122 -5.1764 3  451.9607113  58516 30356 354      56 155        C-13-H3C-13-H2C-13-N
  314821.6943  0.0039 -5.4769 3  142.5757 61  58516 30330 526      30 327        C-13-H3C-13-H2C-13-N
  314901.3330  0.0300 -3.9069 3   26.7195 17 -58516 303 8 6 3       7 5 2        C-13-H3C-13-H2C-13-N
  314901.3330  0.0300 -3.9069 3   26.7195 17 -58516 303 8 6 2       7 5 3        C-13-H3C-13-H2C-13-N
  314937.6578  0.0036 -4.1559 3   63.2469 43  58516 30321 318      20 219        C-13-H3C-13-H2C-13-N
  314971.0590  0.0092 -4.5371 3  665.6366135  58516 30367 463      67 364        C-13-H3C-13-H2C-13-N
  315107.8446  0.0236 -5.6662 3  940.4815159  58516 30379 773      78 870        C-13-H3C-13-H2C-13-N
  315370.1054  0.0025 -4.8754 3  440.3001 85  58516 303421626      431529        C-13-H3C-13-H2C-13-N
  315370.1054  0.0025 -4.8754 3  440.3001 85  58516 303421627      431528        C-13-H3C-13-H2C-13-N
  315411.7319  0.0119 -4.7508 3  818.1332149  58516 30374 569      74 470        C-13-H3C-13-H2C-13-N
  315561.4625  0.0036 -6.3152 3   31.7233 29  58516 30314 410      14 113        C-13-H3C-13-H2C-13-N
  315608.7514  0.0112 -5.5846 3 1010.1970163  58516 30381 972      801071        C-13-H3C-13-H2C-13-N
  315630.5364  0.0042 -4.5274 3  441.1479109  58516 30354 549      53 648        C-13-H3C-13-H2C-13-N
  315808.2699  0.0022 -4.1577 3  514.9891115  58516 30357 849      57 750        C-13-H3C-13-H2C-13-N
  315988.4342  0.0028 -4.9901 3  529.6460 95  58516 303471730      481633        C-13-H3C-13-H2C-13-N
  315988.4342  0.0028 -4.9901 3  529.6460 95  58516 303471731      481632        C-13-H3C-13-H2C-13-N
  315991.3174  0.0038 -5.1052 3  103.0010 53  58516 30326 422      26 125        C-13-H3C-13-H2C-13-N
  316011.1313  0.0131 -6.2046 3 1340.9415187  58516 303931182      921281        C-13-H3C-13-H2C-13-N
  316011.9886  0.0041 -4.4813 3  715.6719137  58516 30368 861      68 762        C-13-H3C-13-H2C-13-N
  316034.2117  0.0038 -4.4478 3  695.9716135  58516 30367 860      67 761        C-13-H3C-13-H2C-13-N
  316140.2938  0.0044 -4.5152 3  735.6571139  58516 30369 862      69 763        C-13-H3C-13-H2C-13-N
  316192.1552  0.0035 -4.4148 3  676.5569133  58516 30366 859      66 760        C-13-H3C-13-H2C-13-N
  316433.6239  0.0047 -4.5496 3  755.9265141  58516 30370 863      70 764        C-13-H3C-13-H2C-13-N
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  319031.7420  0.0099 -5.9399 3 1106.1648145  58516 303722251      732152        C-13-H3C-13-H2C-13-N
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  319391.2785  0.0030 -5.6627 3   82.8324 23  58516 3031110 2      12 9 3        C-13-H3C-13-H2C-13-N
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  319692.2930  0.0187 -6.1963 3 1247.3489155  58516 303772355      782256        C-13-H3C-13-H2C-13-N
  319726.2031  0.0039 -5.5029 3  133.7231 59  58516 30329 525      29 326        C-13-H3C-13-H2C-13-N
  319785.7430  0.0299 -5.6665 3 1381.4645191  58516 303951085      95 986        C-13-H3C-13-H2C-13-N
  319876.5479  0.0023 -4.1994 3  548.7079119  58516 30359 852      59 753        C-13-H3C-13-H2C-13-N
  319932.4089  0.0544 -5.9321 3 1505.6145201  58516 303A0 892      A0 793        C-13-H3C-13-H2C-13-N
  319963.4770  0.0500 -2.4550 3  202.7522 77 -58516 30338 237      37 236        C-13-H3C-13-H2C-13-N
  320099.2658  0.0042 -5.0670 3  110.7192 55  58516 30327 423      27 126        C-13-H3C-13-H2C-13-N
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  320275.1700  0.0300 -2.7131 3  299.4120 75 -58516 303371226      361225        C-13-H3C-13-H2C-13-N
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  320281.2240  0.0300 -2.6694 3  282.3373 75 -58516 303371127      361126        C-13-H3C-13-H2C-13-N
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  320294.2740  0.0300 -2.7606 3  317.9583 75 -58516 303371325      361324        C-13-H3C-13-H2C-13-N
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  320320.4970  0.0300 -2.6296 3  266.7413 75 -58516 303371027      361026        C-13-H3C-13-H2C-13-N
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  320333.2040  0.0300 -2.8121 3  337.9695 75 -58516 303371424      361423        C-13-H3C-13-H2C-13-N
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  320388.5000  0.0300 -2.8675 3  359.4392 75 -58516 303371523      361522        C-13-H3C-13-H2C-13-N
  320406.0970  0.0300 -2.5935 3  252.6320 75 -58516 30337 929      36 928        C-13-H3C-13-H2C-13-N
  320406.0970  0.0300 -2.5935 3  252.6320 75 -58516 30337 928      36 927        C-13-H3C-13-H2C-13-N
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  320457.7220  0.0300 -2.9270 3  382.3609 75 -58516 303371622      361621        C-13-H3C-13-H2C-13-N
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  320539.0840  0.0300 -2.9906 3  406.7280 75 -58516 303371721      361720        C-13-H3C-13-H2C-13-N
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  320631.2440  0.0300 -3.0584 3  432.5335 75 -58516 303371820      361819        C-13-H3C-13-H2C-13-N
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  320762.1527  0.0019 -4.0730 3  466.1842109  58516 30354 846      54 747        C-13-H3C-13-H2C-13-N
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  320829.4430  0.0300 -2.5324 3  228.9200 75 -58516 30337 730      36 729        C-13-H3C-13-H2C-13-N
  320836.9459  0.0067 -4.7266 3  861.5047151  58516 30375 868      75 769        C-13-H3C-13-H2C-13-N
  320844.4510  0.0500 -3.2071 3  488.4312 75 -58516 303372017      362016        C-13-H3C-13-H2C-13-N
  320844.4510  0.0500 -3.2071 3  488.4312 75 -58516 303372018      362017        C-13-H3C-13-H2C-13-N
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  320891.8279  0.0348 -5.4602 3 1245.2951183  58516 30391 784      91 685        C-13-H3C-13-H2C-13-N
  320901.3604  0.0129 -5.1915 3  467.7869115  58516 30357 255      57 256        C-13-H3C-13-H2C-13-N
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  320964.1260  0.0500 -3.2882 3  518.5085 75 -58516 303372117      362116        C-13-H3C-13-H2C-13-N
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  321091.9270  0.0500 -3.3740 3  549.9943 75 -58516 303372216      362215        C-13-H3C-13-H2C-13-N
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  321114.7514  0.0114 -5.6663 3 1057.3455167  58516 30383 975      821072        C-13-H3C-13-H2C-13-N
  321160.3567  0.0029 -4.8259 3  163.0789 43  58516 3032112 9      221112        C-13-H3C-13-H2C-13-N
  321160.3567  0.0029 -4.8259 3  163.0789 43  58516 303211210      221111        C-13-H3C-13-H2C-13-N
  321209.0580  0.0300 -3.9328 3   56.1201 39 -58516 30319 415      18 316        C-13-H3C-13-H2C-13-N
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  321227.3290  0.0300 -3.4648 3  582.8806 75 -58516 303372315      362314        C-13-H3C-13-H2C-13-N
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  321349.6720  0.0300 -2.5068 3  219.3641 75 -58516 30337 631      36 630        C-13-H3C-13-H2C-13-N
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  321370.1460  0.0500 -3.5608 3  617.1588 75 -58516 303372414      362413        C-13-H3C-13-H2C-13-N
  321423.3528  0.0077 -4.7782 3  872.7390153  58516 30376 770      76 671        C-13-H3C-13-H2C-13-N
  321445.6130  0.1000 -3.5803 3  202.7027 77 -58516 30338 237      37 136        C-13-H3C-13-H2C-13-N
  321520.0950  0.0500 -3.6624 3  652.8204 75 -58516 303372512      362511        C-13-H3C-13-H2C-13-N
  321520.0950  0.0500 -3.6624 3  652.8204 75 -58516 303372513      362512        C-13-H3C-13-H2C-13-N
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  321651.8270  0.0500 -2.4443 3  205.8989 79 -58516 30339 139      38 138        C-13-H3C-13-H2C-13-N
  321659.5870  0.0350 -2.4443 3  205.8978 79 -58516 30339 039      38 038        C-13-H3C-13-H2C-13-N
  321676.8890  0.0300 -3.7700 3  689.8566 75 -58516 303372611      362610        C-13-H3C-13-H2C-13-N
  321676.8890  0.0300 -3.7700 3  689.8566 75 -58516 303372612      362611        C-13-H3C-13-H2C-13-N
  321687.4690  0.0300 -3.4662 3  205.8978 79 -58516 30339 139      38 038        C-13-H3C-13-H2C-13-N
  321745.8257  0.0102 -5.2987 3  862.3534151  58516 30375 867      74 966        C-13-H3C-13-H2C-13-N
  321779.1496  0.0071 -5.5312 3  755.6900143  58516 30371 666      71 467        C-13-H3C-13-H2C-13-N
  321792.0798  0.0133 -5.6725 3  839.5555151  58516 30375 570      75 571        C-13-H3C-13-H2C-13-N
  321794.5605  0.0029 -5.7777 3   22.2591 27  58516 30313 311      12 012        C-13-H3C-13-H2C-13-N
  321840.3310  0.0300 -3.8841 3  728.2581 75 -58516 303372710      3627 9        C-13-H3C-13-H2C-13-N
  321840.3310  0.0300 -3.8841 3  728.2581 75 -58516 303372711      362710        C-13-H3C-13-H2C-13-N
  321845.3778  0.0034 -4.2710 3  345.2684 97  58516 30348 444      47 543        C-13-H3C-13-H2C-13-N
  321924.7002  0.0100 -5.4118 3  684.8949137  58516 30368 464      68 465        C-13-H3C-13-H2C-13-N
  321935.3853  0.0027 -4.7433 3  216.2468 53  58516 303261313      271216        C-13-H3C-13-H2C-13-N
  321935.3853  0.0027 -4.7433 3  216.2468 53  58516 303261314      271215        C-13-H3C-13-H2C-13-N
  322010.3357  0.0031 -4.0055 3  768.0158 75  58516 3033728 9      3628 8        C-13-H3C-13-H2C-13-N
  322010.3357  0.0031 -4.0055 3  768.0158 75  58516 303372810      3628 9        C-13-H3C-13-H2C-13-N
  322100.3240  0.0019 -4.0471 3  450.5097107  58516 30353 845      53 746        C-13-H3C-13-H2C-13-N
  322108.0100  0.0021 -3.8937 3   38.2038 29  58516 30314 510      13 4 9        C-13-H3C-13-H2C-13-N
  322122.9810  0.0021 -3.8936 3   38.2034 29  58516 30314 5 9      13 410        C-13-H3C-13-H2C-13-N
  322123.7903  0.0020 -4.1170 3  498.2581113  58516 30356 849      56 750        C-13-H3C-13-H2C-13-N
  322186.6747  0.0037 -4.1351 3  809.1199 75  58516 3033729 8      3629 7        C-13-H3C-13-H2C-13-N
  322186.6747  0.0037 -4.1351 3  809.1199 75  58516 3033729 9      3629 8        C-13-H3C-13-H2C-13-N
  322195.1989  0.0020 -5.3217 3   51.0331 39  58516 30319 316      18 117        C-13-H3C-13-H2C-13-N
  322369.1750  0.0300 -4.2745 3  851.5609 75 -58516 3033730 7      3630 6        C-13-H3C-13-H2C-13-N
  322369.1750  0.0300 -4.2745 3  851.5609 75 -58516 3033730 8      3630 7        C-13-H3C-13-H2C-13-N
  322383.5209  0.0072 -4.7630 3  883.4605153  58516 30376 869      76 770        C-13-H3C-13-H2C-13-N
  322396.3350  0.0300 -3.7842 3  167.5468 69 -58516 30334 332      33 231        C-13-H3C-13-H2C-13-N
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  322557.8539  0.0052 -4.4257 3  895.3288 75  58516 3033731 7      3631 6        C-13-H3C-13-H2C-13-N
  322625.9235  0.0099 -4.5566 3  684.8715137  58516 30368 464      68 365        C-13-H3C-13-H2C-13-N
  322649.5766  0.0025 -4.7328 3  278.1069 63  58516 303311417      321320        C-13-H3C-13-H2C-13-N
  322649.5766  0.0025 -4.7328 3  278.1069 63  58516 303311418      321319        C-13-H3C-13-H2C-13-N
  322752.4445  0.0063 -4.5919 3  940.4135 75  58516 3033732 5      3632 4        C-13-H3C-13-H2C-13-N
  322752.4445  0.0063 -4.5919 3  940.4135 75  58516 3033732 6      3632 5        C-13-H3C-13-H2C-13-N
  322783.0850  0.0300 -2.4830 3  211.4668 75 -58516 30337 532      36 531        C-13-H3C-13-H2C-13-N
  322884.9672  0.0019 -4.0910 3  482.0231111  58516 30355 848      55 749        C-13-H3C-13-H2C-13-N
  322950.9428  0.0084 -4.6488 3  776.3688145  58516 30372 667      72 568        C-13-H3C-13-H2C-13-N
  322952.8836  0.0077 -4.7787 3  986.8046 75  58516 3033733 4      3633 3        C-13-H3C-13-H2C-13-N
  322952.8836  0.0077 -4.7787 3  986.8046 75  58516 3033733 5      3633 4        C-13-H3C-13-H2C-13-N
  322982.0807  0.0246 -5.3019 3  395.3329107  58516 30353 152      53 153        C-13-H3C-13-H2C-13-N
  322982.9233  0.0246 -4.5622 3  395.3329107  58516 30353 152      53 053        C-13-H3C-13-H2C-13-N
  323008.3935  0.0037 -5.3194 3  385.1264101  58516 30350 645      50 446        C-13-H3C-13-H2C-13-N
  323025.3901  0.0246 -4.5621 3  395.3329107  58516 30353 252      53 153        C-13-H3C-13-H2C-13-N
  323026.2327  0.0246 -5.3018 3  395.3329107  58516 30353 252      53 053        C-13-H3C-13-H2C-13-N
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  323159.0658  0.0098 -4.9962 3 1034.4917 75  58516 3033734 4      3634 3        C-13-H3C-13-H2C-13-N
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  323313.2328  0.0023 -4.7714 3  348.6546 73  58516 303361521      371424        C-13-H3C-13-H2C-13-N
  323313.2328  0.0023 -4.7714 3  348.6546 73  58516 303361522      371423        C-13-H3C-13-H2C-13-N
  323332.0775  0.0083 -4.4293 3  562.7731125  58516 30362 459      62 360        C-13-H3C-13-H2C-13-N
  323370.8912  0.0126 -5.2677 3 1083.4643 75  58516 3033735 2      3635 1        C-13-H3C-13-H2C-13-N
  323370.8912  0.0126 -5.2677 3 1083.4643 75  58516 3033735 3      3635 2        C-13-H3C-13-H2C-13-N
  323476.5301  0.0083 -5.2426 3  562.7683125  58516 30362 459      62 260        C-13-H3C-13-H2C-13-N
  323556.4640  0.0023 -3.8786 3   29.0282 19  58516 303 9 6 4       8 5 3        C-13-H3C-13-H2C-13-N
  323556.4652  0.0023 -3.8786 3   29.0282 19  58516 303 9 6 3       8 5 4        C-13-H3C-13-H2C-13-N
  323588.2647  0.0167 -5.6668 3 1133.7115 75  58516 3033736 1      3636 0        C-13-H3C-13-H2C-13-N
  323588.2647  0.0167 -5.6668 3 1133.7115 75  58516 3033736 2      3636 1        C-13-H3C-13-H2C-13-N
  323618.7646  0.0134 -6.2365 3 1367.7274189  58516 303941184      931281        C-13-H3C-13-H2C-13-N
  323639.6063  0.0019 -4.0658 3  466.0793109  58516 30354 847      54 748        C-13-H3C-13-H2C-13-N
  323702.6922  0.0096 -4.8147 3  917.7104155  58516 30377 968      77 869        C-13-H3C-13-H2C-13-N
  323811.6628  0.0074 -4.7644 3   53.7492 41  58516 30320 218      19 119        C-13-H3C-13-H2C-13-N
  323936.8701  0.0025 -4.8482 3  427.8843 83  58516 303411625      421528        C-13-H3C-13-H2C-13-N
  323936.8701  0.0025 -4.8482 3  427.8843 83  58516 303411626      421527        C-13-H3C-13-H2C-13-N
  324058.1062  0.0057 -5.6405 3  127.1950 59  58516 30329 425      29 228        C-13-H3C-13-H2C-13-N
  324072.8750  0.0086 -5.3720 3  665.6366135  58516 30367 563      67 364        C-13-H3C-13-H2C-13-N
  324078.6835  0.0128 -4.7725 3  839.4792151  58516 30375 570      75 471        C-13-H3C-13-H2C-13-N
  324172.4245  0.0077 -4.7997 3  905.6943155  58516 30377 870      77 771        C-13-H3C-13-H2C-13-N
  324381.6618  0.0018 -4.0414 3  450.4269107  58516 30353 846      53 747        C-13-H3C-13-H2C-13-N
  324391.6692  0.0039 -5.5302 3  125.1700 57  58516 30328 524      28 325        C-13-H3C-13-H2C-13-N
  324402.5070  0.0018 -3.9986 3  420.0471103  58516 30351 843      51 744        C-13-H3C-13-H2C-13-N
  324530.9125  0.0028 -4.9570 3  515.7889 93  58516 303461729      471632        C-13-H3C-13-H2C-13-N
  324530.9125  0.0028 -4.9570 3  515.7889 93  58516 303461730      471631        C-13-H3C-13-H2C-13-N
  324710.5786  0.0019 -3.9194 3   61.7804 41  58516 30320 417      19 316        C-13-H3C-13-H2C-13-N
  324778.7285  0.0129 -5.4888 3  951.1165159  58516 30379 872      78 969        C-13-H3C-13-H2C-13-N
  325016.2419  0.0034 -6.0913 3   26.1983 29  58516 30314 312      13 113        C-13-H3C-13-H2C-13-N
  325100.1568  0.0046 -5.0378 3  118.7064 57  58516 30328 424      28 127        C-13-H3C-13-H2C-13-N
  325105.5188  0.0031 -5.0940 3  612.3607103  58516 303511833      521736        C-13-H3C-13-H2C-13-N
  325105.5188  0.0031 -5.0940 3  612.3607103  58516 303511834      521735        C-13-H3C-13-H2C-13-N
  325106.0391  0.0018 -4.0179 3  435.0659105  58516 30352 845      52 746        C-13-H3C-13-H2C-13-N
  325292.6318  0.0132 -5.9039 3 1194.8261177  58516 303881078      871177        C-13-H3C-13-H2C-13-N
  325393.0151  0.0017 -3.9759 3  405.2577101  58516 30350 842      50 743        C-13-H3C-13-H2C-13-N
  325670.4825  0.0033 -5.2567 3  717.5907113  58516 303561937      571840        C-13-H3C-13-H2C-13-N
  325670.4825  0.0033 -5.2567 3  717.5907113  58516 303561938      571839        C-13-H3C-13-H2C-13-N
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  325808.5388  0.0018 -3.9951 3  419.9964103  58516 30351 844      51 745        C-13-H3C-13-H2C-13-N
  326086.4652  0.0289 -5.6023 3 1353.7256189  58516 303941084      94 985        C-13-H3C-13-H2C-13-N
  326097.2192  0.0085 -4.8100 3  894.8169155  58516 30377 771      77 672        C-13-H3C-13-H2C-13-N
  326170.5192  0.0141 -6.2294 3 1367.7209189  58516 303941183      931282        C-13-H3C-13-H2C-13-N
  326209.4565  0.0082 -4.8366 3  928.2053157  58516 30378 871      78 772        C-13-H3C-13-H2C-13-N
  326235.1734  0.0034 -5.4435 3  831.4689123  58516 303612041      621944        C-13-H3C-13-H2C-13-N
  326235.1734  0.0034 -5.4435 3  831.4689123  58516 303612042      621943        C-13-H3C-13-H2C-13-N
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  326568.8776  0.0071 -5.4947 3   53.6572 41  58516 30320 218      19 019        C-13-H3C-13-H2C-13-N
  326744.9860  0.0500 -2.4475 3  201.8845 75 -58516 30337 334      36 333        C-13-H3C-13-H2C-13-N
  326808.5004  0.0049 -5.6531 3  953.9847133  58516 303662145      672048        C-13-H3C-13-H2C-13-N
  326808.5004  0.0049 -5.6531 3  953.9847133  58516 303662146      672047        C-13-H3C-13-H2C-13-N
  326847.2813  0.0079 -5.5531 3  776.2388145  58516 30372 667      72 468        C-13-H3C-13-H2C-13-N
  327108.2656  0.0017 -3.9336 3  376.5605 97  58516 30348 840      48 741        C-13-H3C-13-H2C-13-N
  327135.1811  0.0017 -3.9522 3  390.7322 99  58516 30349 842      49 743        C-13-H3C-13-H2C-13-N
  327147.4520  0.0300 -3.5714 3  213.4250 79 -58516 30339 138      38 237        C-13-H3C-13-H2C-13-N
  327198.9149  0.0022 -3.7630 3  177.4218 71  58516 30335 333      34 232        C-13-H3C-13-H2C-13-N
  327398.8848  0.0097 -5.8847 3 1085.1260143  58516 303712249      722152        C-13-H3C-13-H2C-13-N
  327398.8848  0.0097 -5.8847 3 1085.1260143  58516 303712250      722151        C-13-H3C-13-H2C-13-N
  327500.6053  0.0135 -5.2064 3  483.8829117  58516 30358 256      58 257        C-13-H3C-13-H2C-13-N
  327514.1752  0.0135 -4.4322 3  483.8824117  58516 30358 256      58 157        C-13-H3C-13-H2C-13-N
  327584.1944  0.0023 -3.9976 3  273.1352 87  58516 30343 340      42 439        C-13-H3C-13-H2C-13-N
  327606.3533  0.0126 -5.5977 3 1033.5966165  58516 30382 973      811072        C-13-H3C-13-H2C-13-N
  327754.7764  0.0017 -3.9320 3  376.5374 97  58516 30348 841      48 742        C-13-H3C-13-H2C-13-N
  327838.1304  0.0135 -4.4313 3  483.8829117  58516 30358 356      58 257        C-13-H3C-13-H2C-13-N
  327851.2751  0.0016 -3.9139 3  362.6517 95  58516 30347 839      47 740        C-13-H3C-13-H2C-13-N
  327851.7003  0.0135 -5.2055 3  483.8824117  58516 30358 356      58 157        C-13-H3C-13-H2C-13-N
  328014.2401  0.0185 -6.1374 3 1224.8801153  58516 303762353      772256        C-13-H3C-13-H2C-13-N
  328014.2401  0.0185 -6.1374 3 1224.8801153  58516 303762354      772255        C-13-H3C-13-H2C-13-N
  328032.1731  0.0030 -6.0719 3   79.3680 21  58516 3031010 0      11 9 3        C-13-H3C-13-H2C-13-N
  328032.1731  0.0030 -6.0719 3   79.3680 21  58516 3031010 1      11 9 2        C-13-H3C-13-H2C-13-N
  328035.9233  0.0090 -5.2648 3  580.4366127  58516 30363 360      63 361        C-13-H3C-13-H2C-13-N
  328122.8150  0.0300 -2.4443 3  213.4250 79 -58516 30339 238      38 237        C-13-H3C-13-H2C-13-N
  328152.4717  0.0090 -4.4530 3  580.4327127  58516 30363 360      63 261        C-13-H3C-13-H2C-13-N
  328217.6750  0.0500 -2.4463 3  208.6608 77 -58516 30338 236      37 235        C-13-H3C-13-H2C-13-N
  328256.0903  0.0040 -4.1543 3   69.2402 45  58516 30322 319      21 220        C-13-H3C-13-H2C-13-N
  328274.2293  0.0087 -4.7650 3  895.2453153  58516 30376 967      76 868        C-13-H3C-13-H2C-13-N
  328343.2454  0.0016 -3.9127 3  362.6342 95  58516 30347 840      47 741        C-13-H3C-13-H2C-13-N
  328351.2090  0.0500 -2.4436 3  213.3848 79 -58516 30339 138      38 137        C-13-H3C-13-H2C-13-N
  328390.5263  0.0129 -5.9467 3 1220.2287179  58516 303891080      881177        C-13-H3C-13-H2C-13-N
  328498.8116  0.0088 -4.8738 3  950.9924159  58516 30379 872      79 773        C-13-H3C-13-H2C-13-N
  328528.1771  0.0016 -3.8952 3  349.0357 93  58516 30346 838      46 739        C-13-H3C-13-H2C-13-N
  328777.5374  0.0038 -5.5590 3  116.9174 55  58516 30327 523      27 324        C-13-H3C-13-H2C-13-N
  328881.1261  0.0092 -4.6759 3  797.1621147  58516 30373 668      73 569        C-13-H3C-13-H2C-13-N
  328899.7828  0.0016 -3.8942 3  349.0225 93  58516 30346 839      46 740        C-13-H3C-13-H2C-13-N
  328922.6650  0.0500 -2.6983 3  310.0952 77 -58516 303381226      371225        C-13-H3C-13-H2C-13-N
  328922.6650  0.0500 -2.6983 3  310.0952 77 -58516 303381227      371226        C-13-H3C-13-H2C-13-N
  328933.4930  0.0300 -2.6551 3  293.0208 77 -58516 303381127      371126        C-13-H3C-13-H2C-13-N
  328933.4930  0.0300 -2.6551 3  293.0208 77 -58516 303381128      371127        C-13-H3C-13-H2C-13-N
  328938.7020  0.0300 -2.7453 3  328.6421 77 -58516 303381325      371324        C-13-H3C-13-H2C-13-N
  328938.7020  0.0300 -2.7453 3  328.6421 77 -58516 303381326      371325        C-13-H3C-13-H2C-13-N
  328950.3361  0.0030 -5.1279 3  113.6980 31  58516 3031511 4      1610 7        C-13-H3C-13-H2C-13-N
  328950.3361  0.0030 -5.1279 3  113.6980 31  58516 3031511 5      1610 6        C-13-H3C-13-H2C-13-N
  328952.8599  0.0037 -5.3215 3  370.4250 99  58516 30349 644      49 445        C-13-H3C-13-H2C-13-N
  328975.8760  0.0300 -2.7962 3  348.6546 77 -58516 303381424      371423        C-13-H3C-13-H2C-13-N
  328975.8760  0.0300 -2.7962 3  348.6546 77 -58516 303381425      371424        C-13-H3C-13-H2C-13-N
  328979.9410  0.0300 -2.6156 3  277.4260 77 -58516 303381029      371028        C-13-H3C-13-H2C-13-N
  328979.9410  0.0300 -2.6156 3  277.4260 77 -58516 303381028      371027        C-13-H3C-13-H2C-13-N
  329030.4130  0.0300 -2.8510 3  370.1262 77 -58516 303381523      371522        C-13-H3C-13-H2C-13-N
  329030.4130  0.0300 -2.8510 3  370.1262 77 -58516 303381524      371523        C-13-H3C-13-H2C-13-N
  329076.3010  0.0300 -2.5799 3  263.3195 77 -58516 30338 930      37 929        C-13-H3C-13-H2C-13-N
  329076.3010  0.0300 -2.5799 3  263.3196 77 -58516 30338 929      37 928        C-13-H3C-13-H2C-13-N
  329099.5850  0.0500 -2.9097 3  393.0503 77 -58516 303381622      371621        C-13-H3C-13-H2C-13-N
  329099.5850  0.0500 -2.9097 3  393.0503 77 -58516 303381623      371622        C-13-H3C-13-H2C-13-N
  329145.4815  0.0016 -3.8774 3  335.7121 91  58516 30345 837      45 738        C-13-H3C-13-H2C-13-N
  329181.6210  0.0500 -2.9725 3  417.4200 77 -58516 303381721      371720        C-13-H3C-13-H2C-13-N
  329181.6210  0.0500 -2.9725 3  417.4200 77 -58516 303381722      371721        C-13-H3C-13-H2C-13-N
  329246.8375  0.0010 -2.5478 3  250.7124 77  58516 30338 831      37 830        C-13-H3C-13-H2C-13-N
  329247.2404  0.0010 -2.5478 3  250.7124 77  58516 30338 830      37 829        C-13-H3C-13-H2C-13-N
  329274.9380  0.0300 -3.0394 3  443.2286 77 -58516 303381820      371819        C-13-H3C-13-H2C-13-N
  329274.9380  0.0300 -3.0394 3  443.2286 77 -58516 303381821      371820        C-13-H3C-13-H2C-13-N
  329326.5570  0.0500 -3.5654 3  213.3848 79 -58516 30339 238      38 137        C-13-H3C-13-H2C-13-N
  329378.6540  0.0500 -3.1104 3  470.4689 77 -58516 303381919      371918        C-13-H3C-13-H2C-13-N
  329378.6540  0.0500 -3.1104 3  470.4689 77 -58516 303381920      371919        C-13-H3C-13-H2C-13-N
  329411.5130  0.0500 -2.4592 3  215.3628 77 -58516 30338 435      37 434        C-13-H3C-13-H2C-13-N
  329424.0351  0.0016 -3.8767 3  335.7022 91  58516 30345 838      45 739        C-13-H3C-13-H2C-13-N
  329471.7985  0.0260 -5.3152 3  410.1307109  58516 30354 153      54 154        C-13-H3C-13-H2C-13-N
  329472.4528  0.0260 -4.5758 3  410.1307109  58516 30354 153      54 054        C-13-H3C-13-H2C-13-N
  329491.8470  0.0500 -3.1858 3  499.1334 77 -58516 303382018      372017        C-13-H3C-13-H2C-13-N
  329491.8470  0.0500 -3.1858 3  499.1334 77 -58516 303382019      372018        C-13-H3C-13-H2C-13-N
  329506.1843  0.0260 -4.5757 3  410.1307109  58516 30354 253      54 154        C-13-H3C-13-H2C-13-N
  329506.8386  0.0260 -5.3151 3  410.1307109  58516 30354 253      54 054        C-13-H3C-13-H2C-13-N
  329533.9910  0.0300 -2.5193 3  239.6210 77 -58516 30338 732      37 731        C-13-H3C-13-H2C-13-N
  329543.2240  0.0300 -2.5192 3  239.6217 77 -58516 30338 731      37 730        C-13-H3C-13-H2C-13-N
  329578.1167  0.0107 -5.4294 3  704.3940139  58516 30369 465      69 466        C-13-H3C-13-H2C-13-N
  329613.9210  0.0300 -3.2655 3  529.2147 77 -58516 303382117      372116        C-13-H3C-13-H2C-13-N
  329613.9210  0.0300 -3.2655 3  529.2147 77 -58516 303382118      372117        C-13-H3C-13-H2C-13-N
  329642.3545  0.0094 -4.5392 3  684.8949137  58516 30368 564      68 465        C-13-H3C-13-H2C-13-N
  329708.8693  0.0016 -3.8606 3  322.6806 89  58516 30344 836      44 737        C-13-H3C-13-H2C-13-N
  329744.3440  0.0500 -3.3498 3  560.7048 77 -58516 303382216      372215        C-13-H3C-13-H2C-13-N
  329744.3440  0.0500 -3.3498 3  560.7048 77 -58516 303382217      372216        C-13-H3C-13-H2C-13-N
  329773.6563  0.0016 -3.4551 3  216.6281 81  58516 30340 040      39 139        C-13-H3C-13-H2C-13-N
  329788.2976  0.0029 -4.8567 3  156.7257 41  58516 3032012 8      211111        C-13-H3C-13-H2C-13-N
  329788.2976  0.0029 -4.8567 3  156.7257 41  58516 3032012 9      211110        C-13-H3C-13-H2C-13-N
  329795.4630  0.0500 -2.4342 3  216.6281 81 -58516 30340 140      39 139        C-13-H3C-13-H2C-13-N
  329801.5430  0.0500 -2.4342 3  216.6272 81 -58516 30340 040      39 039        C-13-H3C-13-H2C-13-N
  329823.3430  0.0300 -3.4549 3  216.6272 81 -58516 30340 140      39 039        C-13-H3C-13-H2C-13-N
  329876.6833  0.0088 -4.4487 3  580.4366127  58516 30363 460      63 361        C-13-H3C-13-H2C-13-N
  329882.8150  0.0500 -3.4388 3  593.5955 77 -58516 303382315      372314        C-13-H3C-13-H2C-13-N
  329882.8150  0.0500 -3.4388 3  593.5955 77 -58516 303382316      372315        C-13-H3C-13-H2C-13-N
  329916.0313  0.0016 -3.8601 3  322.6733 89  58516 30344 837      44 738        C-13-H3C-13-H2C-13-N
  329978.9330  0.0300 -2.4942 3  230.0695 77 -58516 30338 633      37 632        C-13-H3C-13-H2C-13-N
  329993.2317  0.0088 -5.2601 3  580.4327127  58516 30363 460      63 261        C-13-H3C-13-H2C-13-N
  330028.9358  0.0018 -3.5327 3  627.8786 77  58516 303382414      372413        C-13-H3C-13-H2C-13-N
  330028.9358  0.0018 -3.5327 3  627.8786 77  58516 303382415      372414        C-13-H3C-13-H2C-13-N
  330125.6614  0.0010 -2.4938 3  230.0832 77  58516 30338 632      37 631        C-13-H3C-13-H2C-13-N
  330153.9160  0.0106 -4.5774 3  704.3748139  58516 30369 465      69 366        C-13-H3C-13-H2C-13-N
  330160.5388  0.0019 -3.9122 3   61.6128 41  58516 30320 416      19 317        C-13-H3C-13-H2C-13-N
  330182.3816  0.0020 -3.6318 3  663.5452 77  58516 303382513      372512        C-13-H3C-13-H2C-13-N
  330182.3816  0.0020 -3.6318 3  663.5452 77  58516 303382514      372513        C-13-H3C-13-H2C-13-N
  330223.3028  0.0016 -3.8448 3  309.9410 87  58516 30343 835      43 736        C-13-H3C-13-H2C-13-N
  330269.6106  0.0126 -5.6903 3 1081.3369169  58516 30384 976      831073        C-13-H3C-13-H2C-13-N
  330342.9413  0.0022 -3.7365 3  700.5866 77  58516 303382612      372611        C-13-H3C-13-H2C-13-N
  330342.9413  0.0022 -3.7365 3  700.5866 77  58516 303382613      372612        C-13-H3C-13-H2C-13-N
  330343.5778  0.0093 -5.3920 3  684.8715137  58516 30368 564      68 365        C-13-H3C-13-H2C-13-N
  330343.8855  0.0010 -2.4732 3  222.0587 77  58516 30338 534      37 533        C-13-H3C-13-H2C-13-N
  330376.1184  0.0016 -3.8444 3  309.9356 87  58516 30343 836      43 737        C-13-H3C-13-H2C-13-N
  330510.4046  0.0026 -3.8471 3  738.9936 77  58516 303382711      372710        C-13-H3C-13-H2C-13-N
  330510.4046  0.0026 -3.8471 3  738.9936 77  58516 303382712      372711        C-13-H3C-13-H2C-13-N
  330553.2110  0.0027 -4.7499 3  208.4492 51  58516 303251312      261215        C-13-H3C-13-H2C-13-N
  330553.2110  0.0027 -4.7499 3  208.4492 51  58516 303251313      261214        C-13-H3C-13-H2C-13-N
  330563.0888  0.0557 -5.9680 3 1534.6240203  58516 303A1 893      A1 794        C-13-H3C-13-H2C-13-N
  330648.5926  0.0141 -5.6907 3  861.1551153  58516 30376 571      76 572        C-13-H3C-13-H2C-13-N
  330684.5861  0.0030 -3.9642 3  778.7569 77  58516 303382810      3728 9        C-13-H3C-13-H2C-13-N
  330684.5861  0.0030 -3.9642 3  778.7569 77  58516 303382811      372810        C-13-H3C-13-H2C-13-N
  330693.1265  0.0015 -3.8300 3  297.4931 85  58516 30342 834      42 735        C-13-H3C-13-H2C-13-N
  330702.3850  0.0021 -3.8660 3   42.2493 31  58516 30315 511      14 410        C-13-H3C-13-H2C-13-N
  330729.3389  0.0021 -3.8660 3   42.2484 31  58516 30315 510      14 411        C-13-H3C-13-H2C-13-N
  330804.9031  0.0015 -3.8297 3  297.4891 85  58516 30342 835      42 736        C-13-H3C-13-H2C-13-N
  330865.3204  0.0036 -4.0886 3  819.8669 77  58516 3033829 9      3729 8        C-13-H3C-13-H2C-13-N
  330865.3204  0.0036 -4.0886 3  819.8669 77  58516 303382910      3729 9        C-13-H3C-13-H2C-13-N
  330975.2304  0.0094 -4.8423 3  917.1651157  58516 30378 772      78 673        C-13-H3C-13-H2C-13-N
  331033.7871  0.0051 -5.0171 3  126.9624 59  58516 30329 425      29 128        C-13-H3C-13-H2C-13-N
  331043.0424  0.0094 -4.9113 3  974.0549161  58516 30380 873      80 774        C-13-H3C-13-H2C-13-N
  331052.4579  0.0042 -4.2213 3  862.3140 77  58516 3033830 8      3730 7        C-13-H3C-13-H2C-13-N
  331052.4579  0.0042 -4.2213 3  862.3140 77  58516 3033830 9      3730 8        C-13-H3C-13-H2C-13-N
  331066.4908  0.0236 -6.0496 3 1056.9059169  58516 30384 678      84 679        C-13-H3C-13-H2C-13-N
  331122.1562  0.0015 -3.8161 3  285.3366 83  58516 30341 833      41 734        C-13-H3C-13-H2C-13-N
  331203.1994  0.0015 -3.8159 3  285.3337 83  58516 30341 834      41 735        C-13-H3C-13-H2C-13-N
  331245.8617  0.0050 -4.3636 3  906.0882 77  58516 3033831 7      3731 6        C-13-H3C-13-H2C-13-N
  331245.8617  0.0050 -4.3636 3  906.0882 77  58516 3033831 8      3731 7        C-13-H3C-13-H2C-13-N
  331252.0912  0.0355 -5.4902 3 1271.6640185  58516 30392 785      92 686        C-13-H3C-13-H2C-13-N
  331254.1628  0.0025 -4.7252 3  268.8652 61  58516 303301416      311319        C-13-H3C-13-H2C-13-N
  331254.1628  0.0025 -4.7252 3  268.8652 61  58516 303301417      311318        C-13-H3C-13-H2C-13-N
  331266.3116  0.0021 -5.2476 3   56.5661 41  58516 30320 317      19 118        C-13-H3C-13-H2C-13-N
  331445.4055  0.0061 -4.5177 3  951.1793 77  58516 3033832 6      3732 5        C-13-H3C-13-H2C-13-N
  331445.4055  0.0061 -4.5177 3  951.1793 77  58516 3033832 7      3732 6        C-13-H3C-13-H2C-13-N
  331483.9457  0.0013 -3.7370 3  231.2484 81  58516 30340 238      39 337        C-13-H3C-13-H2C-13-N
  331513.7585  0.0015 -3.8032 3  273.4714 81  58516 30340 832      40 733        C-13-H3C-13-H2C-13-N
  331571.9833  0.0015 -3.8030 3  273.4693 81  58516 30340 833      40 734        C-13-H3C-13-H2C-13-N
  331650.9714  0.0075 -4.6868 3  997.5771 77  58516 3033833 5      3733 4        C-13-H3C-13-H2C-13-N
  331650.9714  0.0075 -4.6868 3  997.5771 77  58516 3033833 6      3733 5        C-13-H3C-13-H2C-13-N
  331764.8575  0.0010 -2.4699 3  222.2337 77  58516 30338 533      37 532        C-13-H3C-13-H2C-13-N
  331862.4486  0.0096 -4.8765 3 1045.2711 77  58516 3033834 4      3734 3        C-13-H3C-13-H2C-13-N
  331862.4486  0.0096 -4.8765 3 1045.2711 77  58516 3033834 5      3734 4        C-13-H3C-13-H2C-13-N
  331870.9187  0.0015 -3.7912 3  261.8973 79  58516 30339 831      39 732        C-13-H3C-13-H2C-13-N
  331901.1712  0.0024 -4.7541 3  337.9695 71  58516 303351520      361423        C-13-H3C-13-H2C-13-N
  331901.1712  0.0024 -4.7541 3  337.9695 71  58516 303351521      361422        C-13-H3C-13-H2C-13-N
  331912.3525  0.0015 -3.7911 3  261.8958 79  58516 30339 832      39 733        C-13-H3C-13-H2C-13-N
  331955.4342  0.0020 -3.9026 3   67.6159 43  58516 30321 418      20 317        C-13-H3C-13-H2C-13-N
  332044.0699  0.0145 -5.5202 3  974.0215161  58516 30380 873      79 970        C-13-H3C-13-H2C-13-N
  332079.7326  0.0125 -5.0969 3 1094.2508 77  58516 3033835 3      3735 2        C-13-H3C-13-H2C-13-N
  332079.7326  0.0125 -5.0969 3 1094.2508 77  58516 3033835 4      3735 3        C-13-H3C-13-H2C-13-N
  332104.9031  0.0060 -5.6442 3  135.6817 61  58516 30330 426      30 229        C-13-H3C-13-H2C-13-N
  332148.8443  0.0088 -5.5758 3  797.0531147  58516 30373 668      73 469        C-13-H3C-13-H2C-13-N
  332176.5896  0.0043 -4.4978 3  456.8079111  58516 30355 550      54 649        C-13-H3C-13-H2C-13-N
  332196.3003  0.0015 -3.7803 3  250.6141 77  58516 30338 830      38 731        C-13-H3C-13-H2C-13-N
  332210.3575  0.0023 -3.8503 3   31.6257 21  58516 30310 6 5       9 5 4        C-13-H3C-13-H2C-13-N
  332210.3620  0.0023 -3.8503 3   31.6257 21  58516 30310 6 4       9 5 5        C-13-H3C-13-H2C-13-N
  332225.4926  0.0015 -3.7802 3  250.6131 77  58516 30338 831      38 732        C-13-H3C-13-H2C-13-N
  332244.2147  0.0020 -3.7428 3  187.5665 73  58516 30336 334      35 233        C-13-H3C-13-H2C-13-N
  332302.7237  0.0166 -5.3711 3 1144.5053 77  58516 3033836 2      3736 1        C-13-H3C-13-H2C-13-N
  332302.7237  0.0166 -5.3711 3 1144.5053 77  58516 3033836 3      3736 2        C-13-H3C-13-H2C-13-N
  332309.5742  0.0277 -5.5389 3 1326.2881187  58516 303931083      93 984        C-13-H3C-13-H2C-13-N
  332492.2952  0.0015 -3.7704 3  239.6217 75  58516 30337 829      37 730        C-13-H3C-13-H2C-13-N
  332504.5948  0.0025 -4.8233 3  415.7564 81  58516 303401624      411527        C-13-H3C-13-H2C-13-N
  332504.5948  0.0025 -4.8233 3  415.7564 81  58516 303401625      411526        C-13-H3C-13-H2C-13-N
  332512.6491  0.0015 -3.7704 3  239.6210 75  58516 30337 830      37 731        C-13-H3C-13-H2C-13-N
  332531.3272  0.0223 -5.7731 3 1196.0237 77  58516 3033837 1      3737 0        C-13-H3C-13-H2C-13-N
  332531.3272  0.0223 -5.7731 3 1196.0237 77  58516 3033837 2      3737 1        C-13-H3C-13-H2C-13-N
  332532.6675  0.0077 -4.7167 3  873.0856151  58516 30375 966      75 867        C-13-H3C-13-H2C-13-N
  332556.8973  0.0137 -4.7957 3  861.0915153  58516 30376 571      76 472        C-13-H3C-13-H2C-13-N
  332583.5809  0.0107 -6.2166 3  105.8236 55  58516 30327 324      27 127        C-13-H3C-13-H2C-13-N
  332761.0666  0.0015 -3.7615 3  228.9200 73  58516 30336 828      36 729        C-13-H3C-13-H2C-13-N
  332775.1032  0.0015 -3.7615 3  228.9195 73  58516 30336 829      36 730        C-13-H3C-13-H2C-13-N
  332849.6823  0.0037 -5.5896 3  108.9665 53  58516 30326 522      26 323        C-13-H3C-13-H2C-13-N
  333004.5840  0.0015 -3.7537 3  218.5088 71  58516 30335 827      35 728        C-13-H3C-13-H2C-13-N
  333014.1531  0.0015 -3.7537 3  218.5085 71  58516 30335 828      35 729        C-13-H3C-13-H2C-13-N
  333072.6176  0.0106 -5.5206 3  105.8073 55  58516 30327 324      27 027        C-13-H3C-13-H2C-13-N
  333074.7879  0.0028 -4.9258 3  502.2195 91  58516 303451728      461631        C-13-H3C-13-H2C-13-N
  333074.7879  0.0028 -4.9258 3  502.2195 91  58516 303451729      461630        C-13-H3C-13-H2C-13-N
  333078.1585  0.0031 -5.6404 3   25.9294 29  58516 30314 312      13 013        C-13-H3C-13-H2C-13-N
  333224.6535  0.0015 -3.7470 3  208.3880 69  58516 30334 826      34 727        C-13-H3C-13-H2C-13-N
  333231.0983  0.0015 -3.7469 3  208.3878 69  58516 30334 827      34 728        C-13-H3C-13-H2C-13-N
  333328.9311  0.0143 -6.2640 3 1394.7945191  58516 303951185      941282        C-13-H3C-13-H2C-13-N
  333422.9425  0.0015 -3.7413 3  198.5576 67  58516 30333 825      33 726        C-13-H3C-13-H2C-13-N
  333427.2276  0.0015 -3.7413 3  198.5574 67  58516 30333 826      33 727        C-13-H3C-13-H2C-13-N
  333600.9992  0.0015 -3.7368 3  189.0173 65  58516 30332 824      32 725        C-13-H3C-13-H2C-13-N
  333603.8100  0.0015 -3.7368 3  189.0172 65  58516 30332 825      32 726        C-13-H3C-13-H2C-13-N
  333621.9011  0.0031 -5.0574 3  597.3509101  58516 303501832      511735        C-13-H3C-13-H2C-13-N
  333621.9011  0.0031 -5.0574 3  597.3509101  58516 303501833      511734        C-13-H3C-13-H2C-13-N
  333760.2699  0.0015 -3.7335 3  179.7671 63  58516 30331 823      31 724        C-13-H3C-13-H2C-13-N
  333762.0872  0.0015 -3.7335 3  179.7671 63  58516 30331 824      31 725        C-13-H3C-13-H2C-13-N
  333843.0484  0.0101 -4.9491 3  997.3920163  58516 30381 874      81 775        C-13-H3C-13-H2C-13-N
  333902.1118  0.0015 -3.7314 3  170.8070 61  58516 30330 822      30 723        C-13-H3C-13-H2C-13-N
  333903.2689  0.0015 -3.7314 3  170.8069 61  58516 30330 823      30 724        C-13-H3C-13-H2C-13-N
  334027.8040  0.0015 -3.7305 3  162.1367 59  58516 30329 821      29 722        C-13-H3C-13-H2C-13-N
  334028.5288  0.0015 -3.7305 3  162.1367 59  58516 30329 822      29 723        C-13-H3C-13-H2C-13-N
  334046.1996  0.0011 -2.4441 3  220.1058 79  58516 30339 337      38 336        C-13-H3C-13-H2C-13-N
  334081.8037  0.0142 -5.2222 3  500.2491119  58516 30359 257      59 258        C-13-H3C-13-H2C-13-N
  334092.5430  0.0142 -4.4490 3  500.2487119  58516 30359 257      59 158        C-13-H3C-13-H2C-13-N
  334138.5564  0.0016 -3.7310 3  153.7563 57  58516 30328 820      28 721        C-13-H3C-13-H2C-13-N
  334139.0025  0.0016 -3.7310 3  153.7563 57  58516 30328 821      28 722        C-13-H3C-13-H2C-13-N
  334155.7633  0.0032 -5.2153 3  701.1421111  58516 303551936      561839        C-13-H3C-13-H2C-13-N
  334155.7633  0.0032 -5.2153 3  701.1421111  58516 303551937      561838        C-13-H3C-13-H2C-13-N
  334235.5166  0.0016 -3.7329 3  145.6656 55  58516 30327 819      27 720        C-13-H3C-13-H2C-13-N
  334235.7861  0.0016 -3.7329 3  145.6656 55  58516 30327 820      27 721        C-13-H3C-13-H2C-13-N
  334312.4051  0.0055 -5.6551 3  786.1626145  58516 30372 766      72 567        C-13-H3C-13-H2C-13-N
  334319.7751  0.0016 -3.7362 3  137.8645 53  58516 30326 818      26 719        C-13-H3C-13-H2C-13-N
  334319.9346  0.0016 -3.7362 3  137.8645 53  58516 30326 819      26 720        C-13-H3C-13-H2C-13-N
  334325.8710  0.0056 -5.6763 3  807.2786147  58516 30373 767      73 568        C-13-H3C-13-H2C-13-N
  334355.2440  0.0142 -4.4484 3  500.2491119  58516 30359 357      59 258        C-13-H3C-13-H2C-13-N
  334365.9832  0.0142 -5.2216 3  500.2487119  58516 30359 357      59 158        C-13-H3C-13-H2C-13-N
  334392.3704  0.0017 -3.7411 3  130.3531 51  58516 30325 817      25 718        C-13-H3C-13-H2C-13-N
  334392.4628  0.0017 -3.7411 3  130.3531 51  58516 30325 818      25 719        C-13-H3C-13-H2C-13-N
  334454.2918  0.0017 -3.7477 3  123.1311 49  58516 30324 816      24 717        C-13-H3C-13-H2C-13-N
  334454.3441  0.0017 -3.7477 3  123.1311 49  58516 30324 817      24 718        C-13-H3C-13-H2C-13-N
  334506.4829  0.0018 -3.7560 3  116.1986 47  58516 30323 815      23 716        C-13-H3C-13-H2C-13-N
  334506.5117  0.0018 -3.7560 3  116.1986 47  58516 30323 816      23 717        C-13-H3C-13-H2C-13-N
  334528.8658  0.0082 -5.0178 3  726.2130139  58516 30369 762      68 861        C-13-H3C-13-H2C-13-N
  334549.8431  0.0018 -3.7664 3  109.5555 45  58516 30322 814      22 715        C-13-H3C-13-H2C-13-N
  334549.8586  0.0018 -3.7664 3  109.5555 45  58516 30322 815      22 716        C-13-H3C-13-H2C-13-N
  334585.2301  0.0019 -3.7788 3  103.2016 43  58516 30321 813      21 714        C-13-H3C-13-H2C-13-N
  334585.2381  0.0019 -3.7788 3  103.2016 43  58516 30321 814      21 715        C-13-H3C-13-H2C-13-N
  334613.4606  0.0019 -3.7937 3   97.1370 41  58516 30320 812      20 713        C-13-H3C-13-H2C-13-N
  334613.4646  0.0019 -3.7937 3   97.1370 41  58516 30320 813      20 714        C-13-H3C-13-H2C-13-N
  334635.3116  0.0020 -3.8112 3   91.3616 39  58516 30319 811      19 712        C-13-H3C-13-H2C-13-N
  334635.3136  0.0020 -3.8112 3   91.3616 39  58516 30319 812      19 713        C-13-H3C-13-H2C-13-N
  334639.0179  0.0025 -4.6693 3   46.9037 17  58516 303 8 8 0       8 7 1        C-13-H3C-13-H2C-13-N
  334639.0179  0.0025 -4.6693 3   46.9037 17  58516 303 8 8 1       8 7 2        C-13-H3C-13-H2C-13-N
  334646.8260  0.0025 -4.3956 3   49.5012 19  58516 303 9 8 1       9 7 2        C-13-H3C-13-H2C-13-N
  334646.8260  0.0025 -4.3956 3   49.5012 19  58516 303 9 8 2       9 7 3        C-13-H3C-13-H2C-13-N
  334651.5217  0.0020 -3.8317 3   85.8753 37  58516 30318 810      18 711        C-13-H3C-13-H2C-13-N
  334651.5226  0.0020 -3.8317 3   85.8753 37  58516 30318 811      18 712        C-13-H3C-13-H2C-13-N
  334654.3309  0.0024 -4.2439 3   52.3875 21  58516 30310 8 2      10 7 3        C-13-H3C-13-H2C-13-N
  334654.3309  0.0024 -4.2439 3   52.3875 21  58516 30310 8 3      10 7 4        C-13-H3C-13-H2C-13-N
  334661.1639  0.0024 -4.1413 3   55.5625 23  58516 30311 8 3      11 7 4        C-13-H3C-13-H2C-13-N
  334661.1639  0.0024 -4.1413 3   55.5625 23  58516 30311 8 4      11 7 5        C-13-H3C-13-H2C-13-N
  334662.7911  0.0021 -3.8558 3   80.6781 35  58516 30317 8 9      17 710        C-13-H3C-13-H2C-13-N
  334662.7915  0.0021 -3.8558 3   80.6781 35  58516 30317 810      17 711        C-13-H3C-13-H2C-13-N
  334666.9196  0.0024 -4.0652 3   59.0263 25  58516 30312 8 4      12 7 5        C-13-H3C-13-H2C-13-N
  334666.9196  0.0024 -4.0652 3   59.0263 25  58516 30312 8 5      12 7 6        C-13-H3C-13-H2C-13-N
  334669.7823  0.0021 -3.8842 3   75.7699 33  58516 30316 8 8      16 7 9        C-13-H3C-13-H2C-13-N
  334669.7824  0.0021 -3.8842 3   75.7699 33  58516 30316 8 9      16 710        C-13-H3C-13-H2C-13-N
  334671.1560  0.0023 -4.0056 3   62.7789 27  58516 30313 8 5      13 7 6        C-13-H3C-13-H2C-13-N
  334671.1560  0.0023 -4.0056 3   62.7789 27  58516 30313 8 6      13 7 7        C-13-H3C-13-H2C-13-N
  334673.1207  0.0022 -3.9176 3   71.1506 31  58516 30315 8 7      15 7 8        C-13-H3C-13-H2C-13-N
  334673.1207  0.0022 -3.9176 3   71.1506 31  58516 30315 8 8      15 7 9        C-13-H3C-13-H2C-13-N
  334673.3947  0.0023 -3.9574 3   66.8203 29  58516 30314 8 6      14 7 7        C-13-H3C-13-H2C-13-N
  334673.3947  0.0023 -3.9574 3   66.8203 29  58516 30314 8 7      14 7 8        C-13-H3C-13-H2C-13-N
  334685.8110  0.0033 -5.3977 3  813.5833121  58516 303602040      611943        C-13-H3C-13-H2C-13-N
  334685.8110  0.0033 -5.3977 3  813.5833121  58516 303602041      611942        C-13-H3C-13-H2C-13-N
  334833.5313  0.0054 -4.7492 3  583.7923125  58516 30362 656      61 755        C-13-H3C-13-H2C-13-N
  334905.4388  0.0095 -5.2825 3  598.3698129  58516 30364 361      64 362        C-13-H3C-13-H2C-13-N
  334919.9942  0.0101 -4.7037 3  818.2244149  58516 30374 669      74 570        C-13-H3C-13-H2C-13-N
  334959.5414  0.0054 -5.6349 3  765.3060143  58516 30371 765      71 566        C-13-H3C-13-H2C-13-N
  334974.6299  0.0058 -5.6986 3  828.6542149  58516 30374 768      74 569        C-13-H3C-13-H2C-13-N
  334999.3918  0.0095 -4.4726 3  598.3667129  58516 30364 361      64 262        C-13-H3C-13-H2C-13-N
  335194.7678  0.0037 -5.3242 3  356.0040 97  58516 30348 643      48 444        C-13-H3C-13-H2C-13-N
  335221.0425  0.0048 -5.6032 3  934.6639131  58516 303652144      662047        C-13-H3C-13-H2C-13-N
  335221.0425  0.0048 -5.6032 3  934.6639131  58516 303652145      662046        C-13-H3C-13-H2C-13-N
  335260.2135  0.0011 -2.4365 3  212.7835 77  58516 30338 335      37 334        C-13-H3C-13-H2C-13-N
  335400.9926  0.0011 -2.4457 3  216.5482 77  58516 30338 434      37 433        C-13-H3C-13-H2C-13-N
  335488.6574  0.0011 -3.5568 3  224.3700 81  58516 30340 139      39 238        C-13-H3C-13-H2C-13-N
  335540.3294  0.0116 -5.3039 3  884.0528153  58516 30376 868      75 967        C-13-H3C-13-H2C-13-N
  335735.2695  0.0220 -5.1089 3 1056.7502169  58516 30384 678      84 579        C-13-H3C-13-H2C-13-N
  335769.9863  0.0096 -5.8309 3 1064.3723141  58516 303702248      712151        C-13-H3C-13-H2C-13-N
  335769.9863  0.0096 -5.8309 3 1064.3723141  58516 303702249      712150        C-13-H3C-13-H2C-13-N
  335955.8395  0.0275 -5.3294 3  425.1992111  58516 30355 154      55 155        C-13-H3C-13-H2C-13-N
  335956.3474  0.0275 -4.5903 3  425.1991111  58516 30355 154      55 055        C-13-H3C-13-H2C-13-N
  335983.1202  0.0275 -4.5902 3  425.1992111  58516 30355 254      55 155        C-13-H3C-13-H2C-13-N
  335983.6282  0.0275 -5.3293 3  425.1991111  58516 30355 254      55 055        C-13-H3C-13-H2C-13-N
  336045.7775  0.0103 -4.8750 3  939.7831159  58516 30379 773      79 674        C-13-H3C-13-H2C-13-N
  336105.4833  0.0101 -4.5629 3  704.3940139  58516 30369 565      69 466        C-13-H3C-13-H2C-13-N
  336215.4394  0.0011 -2.4371 3  219.6090 79  58516 30339 237      38 236        C-13-H3C-13-H2C-13-N
  336227.8881  0.0061 -5.7219 3  850.2893151  58516 30375 769      75 570        C-13-H3C-13-H2C-13-N
  336277.2538  0.0011 -2.4350 3  224.3700 81  58516 30340 239      39 238        C-13-H3C-13-H2C-13-N
  336285.7300  0.0054 -5.6158 3  744.7092141  58516 30370 764      70 565        C-13-H3C-13-H2C-13-N
  336324.8710  0.0146 -5.9246 3 1220.2062179  58516 303891079      881178        C-13-H3C-13-H2C-13-N
  336340.6760  0.0184 -6.0799 3 1202.6959151  58516 303752352      762255        C-13-H3C-13-H2C-13-N
  336340.6760  0.0184 -6.0799 3 1202.6959151  58516 303752353      762254        C-13-H3C-13-H2C-13-N
  336427.6499  0.0094 -4.4691 3  598.3698129  58516 30364 461      64 362        C-13-H3C-13-H2C-13-N
  336440.5074  0.0152 -6.2555 3 1394.7864191  58516 303951184      941283        C-13-H3C-13-H2C-13-N
  336464.0041  0.0011 -2.4344 3  224.3375 81  58516 30340 139      39 138        C-13-H3C-13-H2C-13-N
  336476.4440  0.0069 -4.6699 3  851.2310149  58516 30374 965      74 866        C-13-H3C-13-H2C-13-N
  336521.6029  0.0093 -5.2787 3  598.3667129  58516 30364 461      64 262        C-13-H3C-13-H2C-13-N
  336581.6444  0.0036 -5.6223 3  101.3180 51  58516 30325 521      25 322        C-13-H3C-13-H2C-13-N
  336681.2826  0.0100 -5.4129 3  704.3748139  58516 30369 565      69 366        C-13-H3C-13-H2C-13-N
  336898.0908  0.0108 -4.9872 3 1021.0028165  58516 30382 875      82 776        C-13-H3C-13-H2C-13-N
  336940.6279  0.0322 -6.3498 3 1349.6212161  58516 303802456      812359        C-13-H3C-13-H2C-13-N
  336940.6279  0.0322 -6.3498 3 1349.6212161  58516 303802457      812358        C-13-H3C-13-H2C-13-N
  337094.2651  0.0115 -5.4485 3  724.1621141  58516 30370 466      70 467        C-13-H3C-13-H2C-13-N
  337252.6004  0.0011 -3.5521 3  224.3375 81  58516 30340 239      39 138        C-13-H3C-13-H2C-13-N
  337413.4832  0.0034 -4.2324 3  359.1701 99  58516 30349 445      48 544        C-13-H3C-13-H2C-13-N
  337546.3972  0.0019 -3.7236 3  197.9798 75  58516 30337 335      36 234        C-13-H3C-13-H2C-13-N
  337566.5280  0.0114 -4.5995 3  724.1463141  58516 30370 466      70 367        C-13-H3C-13-H2C-13-N
  337569.4551  0.0011 -2.6852 3  321.0669 79  58516 303391227      381226        C-13-H3C-13-H2C-13-N
  337569.4551  0.0011 -2.6852 3  321.0669 79  58516 303391228      381227        C-13-H3C-13-H2C-13-N
  337582.1455  0.0011 -2.7317 3  339.6143 79  58516 303391326      381325        C-13-H3C-13-H2C-13-N
  337582.1455  0.0011 -2.7317 3  339.6143 79  58516 303391327      381326        C-13-H3C-13-H2C-13-N
  337585.4183  0.0011 -2.6424 3  303.9928 79  58516 303391128      381127        C-13-H3C-13-H2C-13-N
  337585.4183  0.0011 -2.6424 3  303.9928 79  58516 303391129      381128        C-13-H3C-13-H2C-13-N
  337585.9605  0.0030 -5.2440 3  109.0781 29  58516 3031411 3      1510 6        C-13-H3C-13-H2C-13-N
  337585.9605  0.0030 -5.2440 3  109.0781 29  58516 3031411 4      1510 5        C-13-H3C-13-H2C-13-N
  337617.3414  0.0011 -2.7821 3  359.6281 79  58516 303391425      381424        C-13-H3C-13-H2C-13-N
  337617.3414  0.0011 -2.7821 3  359.6281 79  58516 303391426      381425        C-13-H3C-13-H2C-13-N
  337639.5434  0.0010 -2.6033 3  288.3996 79  58516 303391030      381029        C-13-H3C-13-H2C-13-N
  337639.5440  0.0010 -2.6033 3  288.3996 79  58516 303391029      381028        C-13-H3C-13-H2C-13-N
  337655.7176  0.0097 -5.5995 3  818.1332149  58516 30374 669      74 470        C-13-H3C-13-H2C-13-N
  337670.9076  0.0012 -2.8363 3  381.1015 79  58516 303391524      381523        C-13-H3C-13-H2C-13-N
  337670.9076  0.0012 -2.8363 3  381.1015 79  58516 303391525      381524        C-13-H3C-13-H2C-13-N
  337739.9694  0.0012 -2.8944 3  404.0278 79  58516 303391623      381622        C-13-H3C-13-H2C-13-N
  337739.9694  0.0012 -2.8944 3  404.0278 79  58516 303391624      381623        C-13-H3C-13-H2C-13-N
  337747.2662  0.0010 -2.5679 3  274.2964 79  58516 30339 931      38 930        C-13-H3C-13-H2C-13-N
  337747.2863  0.0010 -2.5679 3  274.2964 79  58516 30339 930      38 929        C-13-H3C-13-H2C-13-N
  337822.4706  0.0012 -2.9564 3  428.4003 79  58516 303391722      381721        C-13-H3C-13-H2C-13-N
  337822.4706  0.0012 -2.9564 3  428.4003 79  58516 303391723      381722        C-13-H3C-13-H2C-13-N
  337916.9031  0.0013 -3.0225 3  454.2120 79  58516 303391821      381820        C-13-H3C-13-H2C-13-N
  337916.9031  0.0013 -3.0225 3  454.2120 79  58516 303391822      381821        C-13-H3C-13-H2C-13-N
  337920.4429  0.0017 -3.4452 3  227.6289 83  58516 30341 041      40 140        C-13-H3C-13-H2C-13-N
  337926.9551  0.0011 -2.4487 3  226.3508 79  58516 30339 436      38 435        C-13-H3C-13-H2C-13-N
  337935.0721  0.0010 -2.5361 3  261.6949 79  58516 30339 832      38 831        C-13-H3C-13-H2C-13-N
  337935.2579  0.0055 -5.0047 3  135.4872 61  58516 30330 426      30 129        C-13-H3C-13-H2C-13-N
  337935.6640  0.0010 -2.5361 3  261.6950 79  58516 30339 831      38 830        C-13-H3C-13-H2C-13-N
  337937.4891  0.0017 -2.4255 3  227.6289 83  58516 30341 141      40 140        C-13-H3C-13-H2C-13-N
  337942.2654  0.0017 -2.4254 3  227.6282 83  58516 30341 041      40 040        C-13-H3C-13-H2C-13-N
  337959.3116  0.0017 -3.4451 3  227.6282 83  58516 30341 141      40 040        C-13-H3C-13-H2C-13-N
  337983.3964  0.0037 -6.0172 3   30.1019 31  58516 30315 313      14 114        C-13-H3C-13-H2C-13-N
  338022.1348  0.0013 -3.0926 3  481.4558 79  58516 303391920      381919        C-13-H3C-13-H2C-13-N
  338022.1348  0.0013 -3.0926 3  481.4558 79  58516 303391921      381920        C-13-H3C-13-H2C-13-N
  338022.9548  0.0140 -5.9724 3 1245.9018181  58516 303901081      891178        C-13-H3C-13-H2C-13-N
  338050.7661  0.0066 -5.7461 3  872.1844153  58516 30376 770      76 571        C-13-H3C-13-H2C-13-N
  338137.2985  0.0014 -3.1668 3  510.1241 79  58516 303392019      382018        C-13-H3C-13-H2C-13-N
  338137.2985  0.0014 -3.1668 3  510.1241 79  58516 303392020      382019        C-13-H3C-13-H2C-13-N
  338248.2122  0.0010 -2.5077 3  250.6131 79  58516 30339 733      38 732        C-13-H3C-13-H2C-13-N
  338261.0456  0.0010 -2.5077 3  250.6141 79  58516 30339 732      38 731        C-13-H3C-13-H2C-13-N
  338261.7158  0.0014 -3.2454 3  540.2095 79  58516 303392118      382117        C-13-H3C-13-H2C-13-N
  338261.7158  0.0014 -3.2454 3  540.2095 79  58516 303392119      382118        C-13-H3C-13-H2C-13-N
  338301.3232  0.0055 -5.5977 3  724.3726139  58516 30369 763      69 564        C-13-H3C-13-H2C-13-N
  338391.9174  0.0262 -5.4763 3 1299.1533185  58516 303921082      92 983        C-13-H3C-13-H2C-13-N
  338394.8469  0.0015 -3.3283 3  571.7039 79  58516 303392217      382216        C-13-H3C-13-H2C-13-N
  338394.8469  0.0015 -3.3283 3  571.7039 79  58516 303392218      382217        C-13-H3C-13-H2C-13-N
  338416.3921  0.0030 -4.8975 3  150.6613 39  58516 3031912 7      201110        C-13-H3C-13-H2C-13-N
  338416.3921  0.0030 -4.8975 3  150.6613 39  58516 3031912 8      2011 9        C-13-H3C-13-H2C-13-N
  338536.2537  0.0016 -3.4157 3  604.5993 79  58516 303392316      382315        C-13-H3C-13-H2C-13-N
  338536.2537  0.0016 -3.4157 3  604.5993 79  58516 303392317      382316        C-13-H3C-13-H2C-13-N
  338685.5747  0.0017 -3.5078 3  638.8871 79  58516 303392415      382414        C-13-H3C-13-H2C-13-N
  338685.5747  0.0017 -3.5078 3  638.8871 79  58516 303392416      382415        C-13-H3C-13-H2C-13-N
  338721.6326  0.0010 -2.4829 3  241.0764 79  58516 30339 634      38 633        C-13-H3C-13-H2C-13-N
  338842.5068  0.0019 -3.6048 3  674.5589 79  58516 303392514      382513        C-13-H3C-13-H2C-13-N
  338842.5068  0.0019 -3.6048 3  674.5589 79  58516 303392515      382514        C-13-H3C-13-H2C-13-N
  338881.1011  0.0162 -5.5547 3  997.2240163  58516 30381 874      80 971        C-13-H3C-13-H2C-13-N
  338907.0966  0.0021 -3.8880 3   73.7521 45  58516 30322 419      21 318        C-13-H3C-13-H2C-13-N
  338913.5844  0.0010 -2.4824 3  241.0950 79  58516 30339 633      38 632        C-13-H3C-13-H2C-13-N
  339006.7913  0.0022 -3.7070 3  711.6056 79  58516 303392613      382612        C-13-H3C-13-H2C-13-N
  339006.7913  0.0022 -3.7070 3  711.6056 79  58516 303392614      382613        C-13-H3C-13-H2C-13-N
  339052.9958  0.0010 -2.4622 3  233.0778 79  58516 30339 535      38 534        C-13-H3C-13-H2C-13-N
  339171.2631  0.0028 -4.7620 3  200.9403 49  58516 303241311      251214        C-13-H3C-13-H2C-13-N
  339171.2631  0.0028 -4.7620 3  200.9403 49  58516 303241312      251213        C-13-H3C-13-H2C-13-N
  339178.2042  0.0025 -3.8148 3  750.0182 79  58516 303392712      382711        C-13-H3C-13-H2C-13-N
  339178.2042  0.0025 -3.8148 3  750.0182 79  58516 303392713      382712        C-13-H3C-13-H2C-13-N
  339235.4369  0.0019 -3.8939 3   67.3938 43  58516 30321 417      20 318        C-13-H3C-13-H2C-13-N
  339262.3265  0.0151 -5.7108 3  883.0231155  58516 30377 572      77 573        C-13-H3C-13-H2C-13-N
  339274.7041  0.0138 -5.7164 3 1105.6199171  58516 30385 977      841074        C-13-H3C-13-H2C-13-N
  339277.4474  0.0020 -3.8402 3   46.5849 33  58516 30316 512      15 411        C-13-H3C-13-H2C-13-N
  339323.9969  0.0020 -3.8401 3   46.5834 33  58516 30316 511      15 412        C-13-H3C-13-H2C-13-N
  339356.5488  0.0029 -3.9284 3  789.7873 79  58516 303392811      382810        C-13-H3C-13-H2C-13-N
  339356.5488  0.0029 -3.9284 3  789.7873 79  58516 303392812      382811        C-13-H3C-13-H2C-13-N
  339541.6497  0.0035 -4.0485 3  830.9034 79  58516 303392910      3829 9        C-13-H3C-13-H2C-13-N
  339541.6497  0.0035 -4.0485 3  830.9034 79  58516 303392911      382910        C-13-H3C-13-H2C-13-N
  339733.3487  0.0041 -4.1759 3  873.3567 79  58516 3033930 9      3830 8        C-13-H3C-13-H2C-13-N
  339733.3487  0.0041 -4.1759 3  873.3567 79  58516 303393010      3830 9        C-13-H3C-13-H2C-13-N
  339859.1696  0.0026 -4.7213 3  259.9121 59  58516 303291415      301318        C-13-H3C-13-H2C-13-N
  339859.1696  0.0026 -4.7213 3  259.9121 59  58516 303291416      301317        C-13-H3C-13-H2C-13-N
  339931.5014  0.0049 -4.3115 3  917.1374 79  58516 3033931 8      3831 7        C-13-H3C-13-H2C-13-N
  339931.5014  0.0049 -4.3115 3  917.1374 79  58516 3033931 9      3831 8        C-13-H3C-13-H2C-13-N
  339939.9082  0.0143 -5.6119 3 1057.2851167  58516 30383 974      821073        C-13-H3C-13-H2C-13-N
  339955.7079  0.0035 -5.6575 3   93.9723 49  58516 30324 520      24 321        C-13-H3C-13-H2C-13-N
  340110.9142  0.0061 -4.6244 3  829.6806147  58516 30373 964      73 865        C-13-H3C-13-H2C-13-N
  340135.9748  0.0059 -4.4567 3  962.2351 79  58516 3033932 7      3832 6        C-13-H3C-13-H2C-13-N
  340135.9748  0.0059 -4.4567 3  962.2351 79  58516 3033932 8      3832 7        C-13-H3C-13-H2C-13-N
  340205.8310  0.0116 -5.0256 3 1044.8866167  58516 30383 876      83 777        C-13-H3C-13-H2C-13-N
  340346.6449  0.0074 -4.6137 3 1008.6398 79  58516 3033933 6      3833 5        C-13-H3C-13-H2C-13-N
  340346.6449  0.0074 -4.6137 3 1008.6398 79  58516 3033933 7      3833 6        C-13-H3C-13-H2C-13-N
  340405.6303  0.0072 -5.7712 3  894.3396155  58516 30377 771      77 572        C-13-H3C-13-H2C-13-N
  340489.8204  0.0024 -4.7395 3  327.5726 69  58516 303341519      351422        C-13-H3C-13-H2C-13-N
  340489.8204  0.0024 -4.7395 3  327.5726 69  58516 303341520      351421        C-13-H3C-13-H2C-13-N
  340563.3956  0.0094 -4.7857 3 1056.3409 79  58516 3033934 5      3834 4        C-13-H3C-13-H2C-13-N
  340563.3956  0.0094 -4.7857 3 1056.3409 79  58516 3033934 6      3834 5        C-13-H3C-13-H2C-13-N
  340646.8199  0.0149 -5.2391 3  516.8856121  58516 30360 258      60 259        C-13-H3C-13-H2C-13-N
  340655.3147  0.0149 -4.4668 3  516.8853121  58516 30360 258      60 159        C-13-H3C-13-H2C-13-N
  340763.3964  0.0022 -3.9589 3  285.5353 89  58516 30344 341      43 440        C-13-H3C-13-H2C-13-N
  340780.3317  0.0011 -2.4583 3  233.3002 79  58516 30339 534      38 533        C-13-H3C-13-H2C-13-N
  340786.1174  0.0123 -4.9782 3 1105.3278 79  58516 3033935 4      3835 3        C-13-H3C-13-H2C-13-N
  340786.1174  0.0123 -4.9782 3 1105.3278 79  58516 3033935 5      3835 4        C-13-H3C-13-H2C-13-N
  340852.6508  0.0147 -4.8203 3  882.9700155  58516 30377 572      77 473        C-13-H3C-13-H2C-13-N
  340862.2812  0.0023 -3.8226 3   34.5121 23  58516 30311 6 6      10 5 5        C-13-H3C-13-H2C-13-N
  340862.2948  0.0023 -3.8226 3   34.5121 23  58516 30311 6 5      10 5 6        C-13-H3C-13-H2C-13-N
  340868.0942  0.0149 -4.4663 3  516.8856121  58516 30360 358      60 259        C-13-H3C-13-H2C-13-N
  340876.5890  0.0149 -5.2386 3  516.8853121  58516 30360 358      60 159        C-13-H3C-13-H2C-13-N
  340985.3400  0.0064 -5.6530 3  144.4427 63  58516 30331 427      31 230        C-13-H3C-13-H2C-13-N
  340998.0035  0.0023 -5.1828 3   62.3776 43  58516 30321 318      20 119        C-13-H3C-13-H2C-13-N
  341007.5872  0.0055 -5.5808 3  704.2971137  58516 30368 762      68 563        C-13-H3C-13-H2C-13-N
  341014.7062  0.0165 -5.2014 3 1155.5897 79  58516 3033936 3      3836 2        C-13-H3C-13-H2C-13-N
  341014.7062  0.0165 -5.2014 3 1155.5897 79  58516 3033936 4      3836 3        C-13-H3C-13-H2C-13-N
  341055.4624  0.0110 -4.7321 3  839.5555151  58516 30375 670      75 571        C-13-H3C-13-H2C-13-N
  341073.3944  0.0025 -4.8006 3  403.9166 79  58516 303391623      401526        C-13-H3C-13-H2C-13-N
  341073.3944  0.0025 -4.8006 3  403.9166 79  58516 303391624      401525        C-13-H3C-13-H2C-13-N
  341078.9355  0.0244 -6.0709 3 1081.1346171  58516 30385 679      85 680        C-13-H3C-13-H2C-13-N
  341249.0631  0.0223 -5.4785 3 1207.1157 79  58516 3033937 2      3837 1        C-13-H3C-13-H2C-13-N
  341249.0631  0.0223 -5.4785 3 1207.1157 79  58516 3033937 3      3837 2        C-13-H3C-13-H2C-13-N
  341256.6674  0.0569 -6.0048 3 1563.8894205  58516 303A2 894      A2 795        C-13-H3C-13-H2C-13-N
  341296.6932  0.0113 -4.9083 3  962.6705161  58516 30380 774      80 675        C-13-H3C-13-H2C-13-N
  341387.7564  0.0013 -3.7120 3  242.6663 83  58516 30341 239      40 338        C-13-H3C-13-H2C-13-N
  341489.0932  0.0301 -5.8832 3 1259.8949 79  58516 3033938 1      3838 0        C-13-H3C-13-H2C-13-N
  341489.0932  0.0301 -5.8832 3 1259.8949 79  58516 3033938 2      3838 1        C-13-H3C-13-H2C-13-N
  341507.8116  0.0362 -5.5214 3 1298.2926187  58516 30393 786      93 687        C-13-H3C-13-H2C-13-N
  341620.1580  0.0028 -4.8966 3  488.9377 89  58516 303441727      451630        C-13-H3C-13-H2C-13-N
  341620.1580  0.0028 -4.8966 3  488.9377 89  58516 303441728      451629        C-13-H3C-13-H2C-13-N
  341669.7376  0.0038 -5.3275 3  341.8659 95  58516 30347 642      47 443        C-13-H3C-13-H2C-13-N
  341725.2784  0.0101 -5.3013 3  616.5727131  58516 30365 362      65 363        C-13-H3C-13-H2C-13-N
  341800.9551  0.0101 -4.4931 3  616.5702131  58516 30365 362      65 263        C-13-H3C-13-H2C-13-N
  342140.2387  0.0031 -5.0226 3  582.6285 99  58516 303491831      501734        C-13-H3C-13-H2C-13-N
  342140.2387  0.0031 -5.0226 3  582.6285 99  58516 303491832      501733        C-13-H3C-13-H2C-13-N
  342258.5295  0.0045 -4.1572 3   75.5131 47  58516 30323 320      22 221        C-13-H3C-13-H2C-13-N
  342299.7936  0.0011 -2.4353 3  231.2484 81  58516 30340 338      39 337        C-13-H3C-13-H2C-13-N
  342434.4697  0.0290 -5.3445 3  440.5383113  58516 30356 155      56 156        C-13-H3C-13-H2C-13-N
  342434.8640  0.0290 -4.6057 3  440.5383113  58516 30356 155      56 056        C-13-H3C-13-H2C-13-N
  342456.0986  0.0290 -4.6056 3  440.5383113  58516 30356 255      56 156        C-13-H3C-13-H2C-13-N
  342456.4929  0.0290 -5.3445 3  440.5383113  58516 30356 255      56 056        C-13-H3C-13-H2C-13-N
  342601.9431  0.0109 -4.5875 3  724.1621141  58516 30370 566      70 467        C-13-H3C-13-H2C-13-N
  342643.4887  0.0032 -5.1756 3  684.9805109  58516 303541935      551838        C-13-H3C-13-H2C-13-N
  342643.4887  0.0032 -5.1756 3  684.9805109  58516 303541936      551837        C-13-H3C-13-H2C-13-N
  342963.6184  0.0034 -5.6955 3   86.9296 47  58516 30323 519      23 320        C-13-H3C-13-H2C-13-N
  342982.0488  0.0100 -4.4903 3  616.5727131  58516 30365 462      65 363        C-13-H3C-13-H2C-13-N
  343051.4814  0.0152 -6.2929 3 1422.1480193  58516 303961186      951283        C-13-H3C-13-H2C-13-N
  343057.7255  0.0099 -5.2982 3  616.5702131  58516 30365 462      65 263        C-13-H3C-13-H2C-13-N
  343074.2061  0.0108 -5.4348 3  724.1463141  58516 30370 566      70 367        C-13-H3C-13-H2C-13-N
  343112.0464  0.0017 -3.7057 3  208.6608 77  58516 30338 336      37 235        C-13-H3C-13-H2C-13-N
  343139.4013  0.0033 -5.3534 3  795.9842119  58516 303592039      601942        C-13-H3C-13-H2C-13-N
  343139.4013  0.0033 -5.3534 3  795.9842119  58516 303592040      601941        C-13-H3C-13-H2C-13-N
  343182.2179  0.0079 -4.7759 3   59.3020 43  58516 30321 219      20 120        C-13-H3C-13-H2C-13-N
  343253.2928  0.0080 -5.7973 3  916.7556157  58516 30378 772      78 573        C-13-H3C-13-H2C-13-N
  343342.0661  0.0106 -5.6241 3  839.4792151  58516 30375 670      75 471        C-13-H3C-13-H2C-13-N
  343446.8883  0.0055 -4.5804 3  808.4335145  58516 30372 963      72 864        C-13-H3C-13-H2C-13-N
  343637.0566  0.0047 -5.5547 3  915.6291129  58516 303642143      652046        C-13-H3C-13-H2C-13-N
  343637.0566  0.0047 -5.5547 3  915.6291129  58516 303642144      652045        C-13-H3C-13-H2C-13-N
  343706.4514  0.0011 -2.4272 3  223.9666 79  58516 30339 336      38 335        C-13-H3C-13-H2C-13-N
  343734.4404  0.0697 -6.3661 3 1777.4319217  58516 303A81197      A81098        C-13-H3C-13-H2C-13-N
  343762.3938  0.0125 -5.0643 3 1069.0427169  58516 30384 877      84 778        C-13-H3C-13-H2C-13-N
  343790.9535  0.0011 -3.5440 3  235.5870 83  58516 30341 140      40 239        C-13-H3C-13-H2C-13-N
  344145.0833  0.0094 -5.7784 3 1043.9039139  58516 303692247      702150        C-13-H3C-13-H2C-13-N
  344145.0833  0.0094 -5.7784 3 1043.9039139  58516 303692248      702149        C-13-H3C-13-H2C-13-N
  344209.0505  0.0011 -2.4294 3  230.8239 81  58516 30340 238      39 237        C-13-H3C-13-H2C-13-N
  344279.6081  0.0245 -5.4148 3 1272.3222183  58516 303911081      91 982        C-13-H3C-13-H2C-13-N
  344396.0667  0.0055 -5.5649 3  684.4838135  58516 30367 761      67 562        C-13-H3C-13-H2C-13-N
  344427.2837  0.0012 -2.4271 3  235.5870 83  58516 30341 240      40 239        C-13-H3C-13-H2C-13-N
  344484.4457  0.0011 -2.4345 3  227.7360 79  58516 30339 435      38 434        C-13-H3C-13-H2C-13-N
  344487.9425  0.0123 -5.4690 3  744.1991143  58516 30371 467      71 468        C-13-H3C-13-H2C-13-N
  344579.5499  0.0012 -2.4266 3  235.5607 83  58516 30341 140      40 139        C-13-H3C-13-H2C-13-N
  344671.6298  0.0182 -6.0237 3 1180.7962149  58516 303742351      752254        C-13-H3C-13-H2C-13-N
  344671.6298  0.0182 -6.0237 3 1180.7962149  58516 303742352      752253        C-13-H3C-13-H2C-13-N
  344866.3301  0.0033 -5.5205 3   29.8723 31  58516 30315 313      14 014        C-13-H3C-13-H2C-13-N
  344874.8664  0.0122 -4.6229 3  744.1862143  58516 30371 467      71 368        C-13-H3C-13-H2C-13-N
  345026.4993  0.0230 -5.1368 3 1081.0030171  58516 30385 679      85 580        C-13-H3C-13-H2C-13-N
  345215.8800  0.0012 -3.5403 3  235.5607 83  58516 30341 240      40 139        C-13-H3C-13-H2C-13-N
  345224.3388  0.0321 -6.2900 3 1326.2928159  58516 303792455      802358        C-13-H3C-13-H2C-13-N
  345224.3388  0.0321 -6.2900 3 1326.2928159  58516 303792456      802357        C-13-H3C-13-H2C-13-N
  345239.0956  0.0182 -5.5926 3 1020.7246165  58516 30382 875      81 972        C-13-H3C-13-H2C-13-N
  345434.4126  0.0076 -5.4971 3   59.2269 43  58516 30321 219      20 020        C-13-H3C-13-H2C-13-N
  345536.8498  0.0022 -3.8755 3   80.1897 47  58516 30323 420      22 319        C-13-H3C-13-H2C-13-N
  345606.7557  0.0034 -5.7369 3   80.1897 45  58516 30322 518      22 319        C-13-H3C-13-H2C-13-N
  345834.7809  0.0059 -5.0002 3  144.2810 63  58516 30331 427      31 130        C-13-H3C-13-H2C-13-N
  346064.5361  0.0017 -3.4368 3  238.9013 85  58516 30342 042      41 141        C-13-H3C-13-H2C-13-N
  346077.8417  0.0017 -2.4181 3  238.9013 85  58516 30342 142      41 141        C-13-H3C-13-H2C-13-N
  346081.5823  0.0017 -2.4180 3  238.9007 85  58516 30342 042      41 041        C-13-H3C-13-H2C-13-N
  346094.8879  0.0017 -3.4367 3  238.9007 85  58516 30342 142      41 041        C-13-H3C-13-H2C-13-N
  346215.4837  0.0011 -2.6737 3  332.3270 81  58516 303401228      391227        C-13-H3C-13-H2C-13-N
  346215.4837  0.0011 -2.6737 3  332.3270 81  58516 303401229      391228        C-13-H3C-13-H2C-13-N
  346222.0151  0.0031 -5.4052 3  104.7470 27  58516 3031311 2      1410 5        C-13-H3C-13-H2C-13-N
  346222.0151  0.0031 -5.4052 3  104.7470 27  58516 3031311 3      1410 4        C-13-H3C-13-H2C-13-N
  346224.5555  0.0011 -2.7199 3  350.8749 81  58516 303401327      391326        C-13-H3C-13-H2C-13-N
  346224.5555  0.0011 -2.7199 3  350.8749 81  58516 303401328      391327        C-13-H3C-13-H2C-13-N
  346236.9566  0.0010 -2.6313 3  315.2534 81  58516 303401129      391128        C-13-H3C-13-H2C-13-N
  346236.9566  0.0010 -2.6313 3  315.2534 81  58516 303401130      391129        C-13-H3C-13-H2C-13-N
  346257.5332  0.0011 -2.7697 3  370.8898 81  58516 303401426      391425        C-13-H3C-13-H2C-13-N
  346257.5332  0.0011 -2.7697 3  370.8898 81  58516 303401427      391426        C-13-H3C-13-H2C-13-N
  346299.2543  0.0010 -2.5926 3  299.6621 81  58516 303401031      391030        C-13-H3C-13-H2C-13-N
  346299.2552  0.0010 -2.5926 3  299.6621 81  58516 303401030      391029        C-13-H3C-13-H2C-13-N
  346309.9558  0.0012 -2.8234 3  392.3650 81  58516 303401525      391524        C-13-H3C-13-H2C-13-N
  346309.9558  0.0012 -2.8234 3  392.3650 81  58516 303401526      391525        C-13-H3C-13-H2C-13-N
  346378.7243  0.0012 -2.8809 3  415.2936 81  58516 303401624      391623        C-13-H3C-13-H2C-13-N
  346378.7243  0.0012 -2.8809 3  415.2936 81  58516 303401625      391624        C-13-H3C-13-H2C-13-N
  346418.5652  0.0011 -2.4397 3  237.6228 81  58516 30340 437      39 436        C-13-H3C-13-H2C-13-N
  346419.0954  0.0010 -2.5574 3  285.5624 81  58516 30340 932      39 931        C-13-H3C-13-H2C-13-N
  346419.1262  0.0010 -2.5574 3  285.5624 81  58516 30340 931      39 930        C-13-H3C-13-H2C-13-N
  346461.6237  0.0012 -2.9423 3  439.6689 81  58516 303401723      391722        C-13-H3C-13-H2C-13-N
  346461.6237  0.0012 -2.9423 3  439.6689 81  58516 303401724      391723        C-13-H3C-13-H2C-13-N
  346499.2053  0.0049 -4.5377 3  787.4889143  58516 30371 962      71 863        C-13-H3C-13-H2C-13-N
  346554.0415  0.0089 -5.8242 3  939.4326159  58516 30379 773      79 574        C-13-H3C-13-H2C-13-N
  346557.0302  0.0013 -3.0075 3  465.4837 81  58516 303401822      391821        C-13-H3C-13-H2C-13-N
  346557.0302  0.0013 -3.0075 3  465.4837 81  58516 303401823      391822        C-13-H3C-13-H2C-13-N
  346625.1791  0.0010 -2.5259 3  272.9672 81  58516 30340 833      39 832        C-13-H3C-13-H2C-13-N
  346626.0394  0.0010 -2.5259 3  272.9673 81  58516 30340 832      39 831        C-13-H3C-13-H2C-13-N
  346663.7262  0.0013 -3.0768 3  492.7310 81  58516 303401921      391920        C-13-H3C-13-H2C-13-N
  346663.7262  0.0013 -3.0768 3  492.7310 81  58516 303401922      391921        C-13-H3C-13-H2C-13-N
  346715.4259  0.0124 -4.9420 3  985.8268163  58516 30381 775      81 676        C-13-H3C-13-H2C-13-N
  346780.7793  0.0013 -3.1501 3  521.4032 81  58516 303402020      392019        C-13-H3C-13-H2C-13-N
  346780.7793  0.0013 -3.1501 3  521.4032 81  58516 303402021      392020        C-13-H3C-13-H2C-13-N
  346832.8439  0.0166 -6.2829 3 1422.1380193  58516 303961185      951284        C-13-H3C-13-H2C-13-N
  346907.4614  0.0014 -3.2276 3  551.4927 81  58516 303402119      392118        C-13-H3C-13-H2C-13-N
  346907.4614  0.0014 -3.2276 3  551.4927 81  58516 303402120      392119        C-13-H3C-13-H2C-13-N
  346965.5483  0.0010 -2.4977 3  261.8958 81  58516 30340 734      39 733        C-13-H3C-13-H2C-13-N
  346983.1996  0.0010 -2.4977 3  261.8973 81  58516 30340 733      39 732        C-13-H3C-13-H2C-13-N
  347043.1932  0.0015 -3.3093 3  582.9915 81  58516 303402218      392217        C-13-H3C-13-H2C-13-N
  347043.1932  0.0015 -3.3093 3  582.9915 81  58516 303402219      392218        C-13-H3C-13-H2C-13-N
  347044.8276  0.0030 -4.9507 3  144.8857 37  58516 3031812 6      1911 9        C-13-H3C-13-H2C-13-N
  347044.8276  0.0030 -4.9507 3  144.8857 37  58516 3031812 7      1911 8        C-13-H3C-13-H2C-13-N
  347187.5056  0.0015 -3.3953 3  615.8916 81  58516 303402317      392316        C-13-H3C-13-H2C-13-N
  347187.5056  0.0015 -3.3953 3  615.8916 81  58516 303402318      392317        C-13-H3C-13-H2C-13-N
  347197.2259  0.0157 -5.2570 3  533.7922123  58516 30361 259      61 260        C-13-H3C-13-H2C-13-N
  347203.9421  0.0157 -4.4856 3  533.7920123  58516 30361 259      61 160        C-13-H3C-13-H2C-13-N
  347276.0060  0.0120 -4.7612 3  861.1551153  58516 30376 671      76 572        C-13-H3C-13-H2C-13-N
  347340.0122  0.0017 -3.4859 3  650.1845 81  58516 303402416      392415        C-13-H3C-13-H2C-13-N
  347340.0122  0.0017 -3.4859 3  650.1845 81  58516 303402417      392416        C-13-H3C-13-H2C-13-N
  347376.0979  0.0157 -4.4851 3  533.7922123  58516 30361 359      61 260        C-13-H3C-13-H2C-13-N
  347382.8141  0.0157 -5.2565 3  533.7920123  58516 30361 359      61 160        C-13-H3C-13-H2C-13-N
  347466.0477  0.0010 -2.4731 3  252.3749 81  58516 30340 635      39 634        C-13-H3C-13-H2C-13-N
  347500.3891  0.0018 -3.5811 3  685.8615 81  58516 303402515      392514        C-13-H3C-13-H2C-13-N
  347500.3891  0.0018 -3.5811 3  685.8615 81  58516 303402516      392515        C-13-H3C-13-H2C-13-N
  347562.4512  0.0134 -5.1033 3 1093.4703171  58516 30385 878      85 779        C-13-H3C-13-H2C-13-N
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  347651.4026  0.0160 -5.7327 3  905.1592157  58516 30378 573      78 574        C-13-H3C-13-H2C-13-N
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  347668.3607  0.0021 -3.6812 3  722.9137 81  58516 303402615      392614        C-13-H3C-13-H2C-13-N
  347714.9578  0.0010 -2.4725 3  252.4000 81  58516 30340 634      39 633        C-13-H3C-13-H2C-13-N
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  347789.7103  0.0029 -4.7801 3  193.7201 47  58516 303231310      241213        C-13-H3C-13-H2C-13-N
  347789.7103  0.0029 -4.7801 3  193.7201 47  58516 303231311      241212        C-13-H3C-13-H2C-13-N
  347828.5636  0.0020 -3.8160 3   51.2108 35  58516 30317 513      16 412        C-13-H3C-13-H2C-13-N
  347843.6891  0.0024 -3.7864 3  761.3320 81  58516 303402713      392712        C-13-H3C-13-H2C-13-N
  347843.6891  0.0024 -3.7864 3  761.3320 81  58516 303402714      392713        C-13-H3C-13-H2C-13-N
  347895.6533  0.0033 -5.7819 3   73.7521 43  58516 30321 517      21 318        C-13-H3C-13-H2C-13-N
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  348026.1651  0.0029 -3.8971 3  801.1070 81  58516 303402813      392812        C-13-H3C-13-H2C-13-N
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  348101.4976  0.0153 -5.7446 3 1130.1948173  58516 30386 978      851075        C-13-H3C-13-H2C-13-N
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  348448.3723  0.0055 -5.5500 3  664.9339133  58516 30366 760      66 561        C-13-H3C-13-H2C-13-N
  348464.5969  0.0019 -3.8779 3   73.4629 45  58516 30322 418      21 319        C-13-H3C-13-H2C-13-N
  348464.7462  0.0026 -4.7213 3  251.2475 57  58516 303281414      291317        C-13-H3C-13-H2C-13-N
  348464.7462  0.0026 -4.7213 3  251.2475 57  58516 303281415      291316        C-13-H3C-13-H2C-13-N
  348501.3442  0.0107 -5.3212 3  635.0452133  58516 30366 363      66 364        C-13-H3C-13-H2C-13-N
  348562.2534  0.0107 -4.5147 3  635.0431133  58516 30366 363      66 264        C-13-H3C-13-H2C-13-N
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  348614.7125  0.0047 -4.2672 3  928.4763 81  58516 303403110      3931 9        C-13-H3C-13-H2C-13-N
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  348824.0912  0.0058 -4.4057 3  973.5809 81  58516 3034032 9      3932 8        C-13-H3C-13-H2C-13-N
  348850.0709  0.0044 -4.4694 3  472.7556113  58516 30356 551      55 650        C-13-H3C-13-H2C-13-N
  348907.9068  0.0306 -5.3606 3  456.1480115  58516 30357 156      57 157        C-13-H3C-13-H2C-13-N
  348908.2127  0.0306 -4.6220 3  456.1480115  58516 30357 156      57 057        C-13-H3C-13-H2C-13-N
  348925.0437  0.0306 -4.6219 3  456.1480115  58516 30357 256      57 157        C-13-H3C-13-H2C-13-N
  348925.3497  0.0306 -5.3605 3  456.1480115  58516 30357 256      57 057        C-13-H3C-13-H2C-13-N
  348940.5442  0.0015 -3.6891 3  219.6090 79  58516 30339 337      38 236        C-13-H3C-13-H2C-13-N
  348974.9650  0.0156 -4.8464 3  905.1150157  58516 30378 573      78 474        C-13-H3C-13-H2C-13-N
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  349039.8425  0.0072 -4.5538 3 1019.9925 81  58516 3034033 8      3933 7        C-13-H3C-13-H2C-13-N
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  349079.3104  0.0025 -4.7277 3  317.4642 67  58516 303331519      341420        C-13-H3C-13-H2C-13-N
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  349261.8447  0.0092 -4.7137 3 1067.7008 81  58516 3034034 7      3934 6        C-13-H3C-13-H2C-13-N
  349285.4250  0.0044 -4.4963 3  766.8456141  58516 30370 961      70 862        C-13-H3C-13-H2C-13-N
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  349489.9832  0.0122 -4.8885 3 1116.6952 81  58516 3034035 6      3935 5        C-13-H3C-13-H2C-13-N
  349511.3963  0.0022 -3.7957 3   37.6875 25  58516 30312 6 7      11 5 6        C-13-H3C-13-H2C-13-N
  349511.4326  0.0022 -3.7957 3   37.6875 25  58516 30312 6 6      11 5 7        C-13-H3C-13-H2C-13-N
  349512.0256  0.0117 -5.4577 3  744.1862143  58516 30371 567      71 368        C-13-H3C-13-H2C-13-N
  349537.4065  0.0106 -4.5124 3  635.0452133  58516 30366 463      66 364        C-13-H3C-13-H2C-13-N
  349598.3157  0.0106 -5.3187 3  635.0431133  58516 30366 463      66 264        C-13-H3C-13-H2C-13-N
  349643.3808  0.0025 -4.7803 3  392.3650 77  58516 303381622      391525        C-13-H3C-13-H2C-13-N
  349643.3808  0.0025 -4.7803 3  392.3650 77  58516 303381623      391524        C-13-H3C-13-H2C-13-N
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  349724.1493  0.0164 -5.0838 3 1166.9647 81  58516 3034036 5      3936 4        C-13-H3C-13-H2C-13-N
  349811.1295  0.0132 -5.3100 3  906.0420155  58516 30377 869      76 968        C-13-H3C-13-H2C-13-N
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  349848.8714  0.0033 -5.8311 3   67.6159 41  58516 30320 516      20 317        C-13-H3C-13-H2C-13-N
  349928.7281  0.0228 -5.3544 3 1245.7953181  58516 303901080      90 981        C-13-H3C-13-H2C-13-N
  349964.2397  0.0222 -5.3098 3 1218.4986 81  58516 3034037 3      3937 2        C-13-H3C-13-H2C-13-N
  349964.2397  0.0222 -5.3098 3 1218.4986 81  58516 3034037 4      3937 3        C-13-H3C-13-H2C-13-N
  350167.1181  0.0028 -4.8694 3  475.9439 87  58516 303431726      441629        C-13-H3C-13-H2C-13-N
  350167.1181  0.0028 -4.8694 3  475.9439 87  58516 303431727      441628        C-13-H3C-13-H2C-13-N
  350210.1556  0.0302 -5.5896 3 1271.2858 81  58516 3034038 2      3938 1        C-13-H3C-13-H2C-13-N
  350210.1556  0.0302 -5.5896 3 1271.2858 81  58516 3034038 3      3938 2        C-13-H3C-13-H2C-13-N
  350268.4862  0.0099 -5.8520 3  962.3712161  58516 30380 774      80 575        C-13-H3C-13-H2C-13-N
  350365.9023  0.0092 -5.0132 3  746.2024141  58516 30370 763      69 862        C-13-H3C-13-H2C-13-N
  350375.7051  0.0657 -6.2939 3 1745.9882215  58516 303A71196      A71097        C-13-H3C-13-H2C-13-N
  350461.8026  0.0407 -5.9971 3 1325.3151 81  58516 3034039 1      3939 0        C-13-H3C-13-H2C-13-N
  350461.8026  0.0407 -5.9971 3 1325.3151 81  58516 3034039 2      3939 1        C-13-H3C-13-H2C-13-N
  350537.0549  0.0011 -2.4279 3  242.6663 83  58516 30341 339      40 338        C-13-H3C-13-H2C-13-N
  350660.6119  0.0031 -4.9896 3  568.1936 97  58516 303481830      491733        C-13-H3C-13-H2C-13-N
  350660.6119  0.0031 -4.9896 3  568.1936 97  58516 303481831      491732        C-13-H3C-13-H2C-13-N
  350741.3453  0.0067 -5.6667 3  153.4778 65  58516 30332 428      32 231        C-13-H3C-13-H2C-13-N
  350761.0079  0.0024 -3.7674 3   32.8947 15  58516 303 7 7 0       6 6 1        C-13-H3C-13-H2C-13-N
  350761.0079  0.0024 -3.7674 3   32.8947 15  58516 303 7 7 1       6 6 0        C-13-H3C-13-H2C-13-N
  350780.5147  0.0252 -6.0943 3 1105.6307173  58516 30386 680      86 681        C-13-H3C-13-H2C-13-N
  351053.5524  0.0012 -3.6903 3  254.3589 85  58516 30342 240      41 339        C-13-H3C-13-H2C-13-N
  351065.4211  0.0205 -5.6339 3 1044.5244167  58516 30383 876      82 973        C-13-H3C-13-H2C-13-N
  351133.7257  0.0032 -5.1375 3  669.1059107  58516 303531934      541837        C-13-H3C-13-H2C-13-N
  351133.7257  0.0032 -5.1375 3  669.1059107  58516 303531935      541836        C-13-H3C-13-H2C-13-N
  351358.7210  0.0040 -5.9515 3   34.2813 33  58516 30316 314      15 115        C-13-H3C-13-H2C-13-N
  351475.6132  0.0026 -5.1275 3   68.4657 45  58516 30322 319      21 120        C-13-H3C-13-H2C-13-N
  351491.3526  0.0033 -5.8848 3   61.7804 39  58516 30319 515      19 316        C-13-H3C-13-H2C-13-N
  351595.9997  0.0032 -5.3107 3  778.6715117  58516 303582038      591941        C-13-H3C-13-H2C-13-N
  351595.9997  0.0032 -5.3107 3  778.6715117  58516 303582039      591940        C-13-H3C-13-H2C-13-N
  351599.3261  0.0144 -5.1427 3 1118.1687173  58516 30386 879      86 780        C-13-H3C-13-H2C-13-N
  351607.3352  0.0058 -4.7327 3  601.7687127  58516 30363 657      62 756        C-13-H3C-13-H2C-13-N
  351619.7943  0.0368 -5.5540 3 1325.1815189  58516 30394 787      94 688        C-13-H3C-13-H2C-13-N
  351772.7263  0.0131 -5.4909 3  764.5049145  58516 30372 468      72 469        C-13-H3C-13-H2C-13-N
  351821.0696  0.0024 -3.8649 3   86.9296 49  58516 30324 421      23 320        C-13-H3C-13-H2C-13-N
  351824.6933  0.0040 -4.4563 3  746.5028139  58516 30369 960      69 861        C-13-H3C-13-H2C-13-N
  351948.7475  0.0582 -6.0425 3 1593.4111207  58516 303A3 895      A3 796        C-13-H3C-13-H2C-13-N
  352056.5875  0.0046 -5.5077 3  896.8803127  58516 303632142      642045        C-13-H3C-13-H2C-13-N
  352056.5875  0.0046 -5.5077 3  896.8803127  58516 303632143      642044        C-13-H3C-13-H2C-13-N
  352060.8312  0.0012 -3.5329 3  247.0759 85  58516 30342 141      41 240        C-13-H3C-13-H2C-13-N
  352083.1182  0.0012 -2.4195 3  235.4314 81  58516 30340 337      39 336        C-13-H3C-13-H2C-13-N
  352089.4093  0.0130 -4.6474 3  764.4944145  58516 30372 468      72 369        C-13-H3C-13-H2C-13-N
  352203.6043  0.0011 -2.4229 3  242.3055 83  58516 30341 239      40 238        C-13-H3C-13-H2C-13-N
  352289.2098  0.0136 -4.9763 3 1009.2517165  58516 30382 776      82 677        C-13-H3C-13-H2C-13-N
  352524.2116  0.0093 -5.7274 3 1023.7210137  58516 303682246      692149        C-13-H3C-13-H2C-13-N
  352524.2116  0.0093 -5.7274 3 1023.7210137  58516 303682247      692148        C-13-H3C-13-H2C-13-N
  352573.3464  0.0012 -2.4204 3  247.0759 85  58516 30342 241      41 240        C-13-H3C-13-H2C-13-N
  352639.8411  0.0162 -5.6271 3 1081.2623169  58516 30384 975      831074        C-13-H3C-13-H2C-13-N
  352697.1613  0.0012 -2.4201 3  247.0546 85  58516 30342 141      41 140        C-13-H3C-13-H2C-13-N
  352780.8876  0.0162 -6.3233 3 1449.7879195  58516 303971187      961284        C-13-H3C-13-H2C-13-N
  352852.4816  0.0033 -5.9436 3   56.2442 37  58516 30318 514      18 315        C-13-H3C-13-H2C-13-N
  352855.5787  0.0034 -4.1959 3  373.3564101  58516 30350 446      49 545        C-13-H3C-13-H2C-13-N
  353007.1297  0.0181 -5.9689 3 1159.1814147  58516 303732350      742253        C-13-H3C-13-H2C-13-N
  353007.1297  0.0181 -5.9689 3 1159.1814147  58516 303732351      742252        C-13-H3C-13-H2C-13-N
  353136.4088  0.0055 -5.5361 3  645.6493131  58516 30365 759      65 560        C-13-H3C-13-H2C-13-N
  353209.6766  0.0012 -3.5300 3  247.0546 85  58516 30342 241      41 140        C-13-H3C-13-H2C-13-N
  353513.1061  0.0319 -6.2315 3 1303.2485157  58516 303782454      792357        C-13-H3C-13-H2C-13-N
  353513.1061  0.0319 -6.2315 3 1303.2485157  58516 303782455      792356        C-13-H3C-13-H2C-13-N
  353530.0584  0.0011 -2.4250 3  239.2268 81  58516 30340 436      39 435        C-13-H3C-13-H2C-13-N
  353567.5655  0.0088 -4.8699 3  985.0973161  58516 30380 972      80 873        C-13-H3C-13-H2C-13-N
  353570.7376  0.0130 -4.7911 3  883.0231155  58516 30377 672      77 573        C-13-H3C-13-H2C-13-N
  353614.6531  0.0021 -3.9237 3  298.2154 91  58516 30345 342      44 441        C-13-H3C-13-H2C-13-N
  353620.3539  0.0082 -4.8281 3  961.9499159  58516 30379 971      79 872        C-13-H3C-13-H2C-13-N
  353673.6825  0.0094 -4.9122 3 1008.5278163  58516 30381 973      81 874        C-13-H3C-13-H2C-13-N
  353734.3469  0.0165 -5.2758 3  550.9690125  58516 30362 260      62 261        C-13-H3C-13-H2C-13-N
  353739.6546  0.0165 -4.5052 3  550.9688125  58516 30362 260      62 161        C-13-H3C-13-H2C-13-N
  353818.1173  0.0076 -4.7867 3  939.0864157  58516 30378 970      78 871        C-13-H3C-13-H2C-13-N
  353878.7995  0.0165 -4.5049 3  550.9690125  58516 30362 360      62 261        C-13-H3C-13-H2C-13-N
  353884.1072  0.0165 -5.2754 3  550.9688125  58516 30362 360      62 161        C-13-H3C-13-H2C-13-N
  353952.2169  0.0100 -4.9549 3 1032.2405165  58516 30382 974      82 875        C-13-H3C-13-H2C-13-N
  353964.0967  0.0033 -6.0080 3   51.0062 35  58516 30317 513      17 314        C-13-H3C-13-H2C-13-N
  354113.0843  0.0240 -5.1662 3 1105.5195173  58516 30386 680      86 581        C-13-H3C-13-H2C-13-N
  354136.8050  0.0036 -4.4174 3  726.4595137  58516 30368 959      68 860        C-13-H3C-13-H2C-13-N
  354146.6828  0.0071 -4.7457 3  916.5076155  58516 30377 969      77 870        C-13-H3C-13-H2C-13-N
  354206.1462  0.0018 -3.4297 3  250.4452 87  58516 30343 043      42 142        C-13-H3C-13-H2C-13-N
  354216.5250  0.0018 -2.4120 3  250.4452 87  58516 30343 143      42 142        C-13-H3C-13-H2C-13-N
  354219.4517  0.0018 -2.4119 3  250.4447 87  58516 30343 043      42 042        C-13-H3C-13-H2C-13-N
  354229.8306  0.0018 -3.4296 3  250.4447 87  58516 30343 143      42 042        C-13-H3C-13-H2C-13-N
  354358.2242  0.0110 -5.8806 3  985.5719163  58516 30381 775      81 576        C-13-H3C-13-H2C-13-N
  354416.0878  0.0107 -4.9979 3 1056.2347167  58516 30383 975      83 876        C-13-H3C-13-H2C-13-N
  354591.8108  0.0065 -4.7053 3  894.2141153  58516 30376 968      76 869        C-13-H3C-13-H2C-13-N
  354757.1032  0.0063 -5.0030 3  153.3439 65  58516 30332 428      32 131        C-13-H3C-13-H2C-13-N
  354858.6759  0.0034 -6.0786 3   46.0651 33  58516 30316 512      16 313        C-13-H3C-13-H2C-13-N
  354858.6880  0.0031 -5.6444 3  100.7046 25  58516 3031211 1      1310 4        C-13-H3C-13-H2C-13-N
  354858.6880  0.0031 -5.6444 3  100.7046 25  58516 3031211 2      1310 3        C-13-H3C-13-H2C-13-N
  354860.7415  0.0011 -2.6639 3  343.8755 83  58516 303411229      401228        C-13-H3C-13-H2C-13-N
  354860.7415  0.0011 -2.6639 3  343.8755 83  58516 303411230      401229        C-13-H3C-13-H2C-13-N
  354865.9013  0.0011 -2.7096 3  362.4237 83  58516 303411328      401327        C-13-H3C-13-H2C-13-N
  354865.9013  0.0011 -2.7096 3  362.4237 83  58516 303411329      401328        C-13-H3C-13-H2C-13-N
  354885.9194  0.0011 -2.4322 3  249.1781 83  58516 30341 438      40 437        C-13-H3C-13-H2C-13-N
  354888.1072  0.0010 -2.6218 3  326.8027 83  58516 303411130      401129        C-13-H3C-13-H2C-13-N
  354888.1072  0.0010 -2.6218 3  326.8027 83  58516 303411131      401130        C-13-H3C-13-H2C-13-N
  354896.4302  0.0011 -2.7591 3  382.4397 83  58516 303411427      401426        C-13-H3C-13-H2C-13-N
  354896.4302  0.0011 -2.7591 3  382.4397 83  58516 303411428      401427        C-13-H3C-13-H2C-13-N
  354947.5239  0.0011 -2.8122 3  403.9166 83  58516 303411526      401525        C-13-H3C-13-H2C-13-N
  354947.5239  0.0011 -2.8122 3  403.9166 83  58516 303411527      401526        C-13-H3C-13-H2C-13-N
  354959.0953  0.0010 -2.5833 3  311.2134 83  58516 303411032      401031        C-13-H3C-13-H2C-13-N
  354959.0967  0.0010 -2.5833 3  311.2134 83  58516 303411031      401030        C-13-H3C-13-H2C-13-N
  355015.8477  0.0012 -2.8692 3  426.8476 83  58516 303411625      401624        C-13-H3C-13-H2C-13-N
  355015.8477  0.0012 -2.8692 3  426.8476 83  58516 303411626      401625        C-13-H3C-13-H2C-13-N
  355024.8984  0.0014 -3.6738 3  230.8239 81  58516 30340 338      39 237        C-13-H3C-13-H2C-13-N
  355057.8027  0.0038 -5.3352 3  314.4482 91  58516 30345 640      45 441        C-13-H3C-13-H2C-13-N
  355077.4541  0.0114 -5.0413 3 1080.5094169  58516 30384 976      84 877        C-13-H3C-13-H2C-13-N
  355091.7861  0.0010 -2.5485 3  297.1177 83  58516 30341 933      40 932        C-13-H3C-13-H2C-13-N
  355091.8328  0.0010 -2.5485 3  297.1177 83  58516 30341 932      40 931        C-13-H3C-13-H2C-13-N
  355099.0194  0.0012 -2.9299 3  451.2256 83  58516 303411724      401723        C-13-H3C-13-H2C-13-N
  355099.0194  0.0012 -2.9299 3  451.2256 83  58516 303411725      401724        C-13-H3C-13-H2C-13-N
  355139.3648  0.0061 -4.6654 3  872.2067151  58516 30375 967      75 868        C-13-H3C-13-H2C-13-N
  355161.0618  0.0127 -5.6760 3  882.9700155  58516 30377 672      77 473        C-13-H3C-13-H2C-13-N
  355195.2942  0.0012 -2.9945 3  477.0436 83  58516 303411823      401822        C-13-H3C-13-H2C-13-N
  355195.2942  0.0012 -2.9945 3  477.0436 83  58516 303411824      401823        C-13-H3C-13-H2C-13-N
  355238.7347  0.0114 -5.3421 3  653.7871135  58516 30367 364      67 365        C-13-H3C-13-H2C-13-N
  355287.7232  0.0114 -4.5372 3  653.7855135  58516 30367 364      67 265        C-13-H3C-13-H2C-13-N
  355303.3643  0.0013 -3.0630 3  504.2944 83  58516 303411922      401921        C-13-H3C-13-H2C-13-N
  355303.3643  0.0013 -3.0630 3  504.2944 83  58516 303411923      401922        C-13-H3C-13-H2C-13-N
  355305.5607  0.0210 -5.2952 3 1219.5730179  58516 303891079      89 980        C-13-H3C-13-H2C-13-N
  355317.2123  0.0010 -2.5171 3  284.5294 83  58516 30341 834      40 833        C-13-H3C-13-H2C-13-N
  355318.4498  0.0010 -2.5171 3  284.5295 83  58516 30341 833      40 832        C-13-H3C-13-H2C-13-N
  355376.3280  0.0323 -5.3775 3  472.0283117  58516 30358 157      58 158        C-13-H3C-13-H2C-13-N
  355376.5654  0.0323 -4.6391 3  472.0283117  58516 30358 157      58 058        C-13-H3C-13-H2C-13-N
  355389.8978  0.0323 -4.6391 3  472.0283117  58516 30358 257      58 158        C-13-H3C-13-H2C-13-N
  355390.1353  0.0323 -5.3775 3  472.0283117  58516 30358 257      58 058        C-13-H3C-13-H2C-13-N
  355422.2293  0.0013 -3.1355 3  532.9705 83  58516 303412021      402020        C-13-H3C-13-H2C-13-N
  355422.2293  0.0013 -3.1355 3  532.9705 83  58516 303412022      402021        C-13-H3C-13-H2C-13-N
  355551.1086  0.0014 -3.2120 3  563.0642 83  58516 303412120      402119        C-13-H3C-13-H2C-13-N
  355551.1086  0.0014 -3.2120 3  563.0642 83  58516 303412121      402120        C-13-H3C-13-H2C-13-N
  355567.8446  0.0034 -6.1562 3   41.4199 31  58516 30315 511      15 312        C-13-H3C-13-H2C-13-N
  355669.0648  0.0126 -4.6391 3  764.5049145  58516 30372 568      72 469        C-13-H3C-13-H2C-13-N
  355673.7820  0.0030 -5.0196 3  139.3988 35  58516 3031712 5      1811 8        C-13-H3C-13-H2C-13-N
  355673.7820  0.0030 -5.0196 3  139.3988 35  58516 3031712 6      1811 7        C-13-H3C-13-H2C-13-N
  355685.9962  0.0010 -2.4892 3  273.4693 83  58516 30341 735      40 734        C-13-H3C-13-H2C-13-N
  355689.3818  0.0014 -3.2926 3  594.5676 83  58516 303412219      402218        C-13-H3C-13-H2C-13-N
  355689.3818  0.0014 -3.2926 3  594.5676 83  58516 303412220      402219        C-13-H3C-13-H2C-13-N
  355710.0521  0.0010 -2.4891 3  273.4714 83  58516 30341 734      40 733        C-13-H3C-13-H2C-13-N
  355775.4724  0.0056 -4.6260 3  850.4860149  58516 30374 966      74 867        C-13-H3C-13-H2C-13-N
  355834.4656  0.0170 -5.7563 3  927.5632159  58516 30379 574      79 575        C-13-H3C-13-H2C-13-N
  355836.5474  0.0015 -3.3774 3  627.4725 83  58516 303412318      402317        C-13-H3C-13-H2C-13-N
  355836.5474  0.0015 -3.3774 3  627.4725 83  58516 303412319      402318        C-13-H3C-13-H2C-13-N
  355865.1125  0.0154 -5.1825 3 1143.1374175  58516 30387 880      87 781        C-13-H3C-13-H2C-13-N
  355947.5570  0.0121 -5.0850 3 1105.0637171  58516 30385 977      85 878        C-13-H3C-13-H2C-13-N
  355985.7478  0.0125 -5.4816 3  764.4944145  58516 30372 568      72 369        C-13-H3C-13-H2C-13-N
  355992.1925  0.0016 -3.4666 3  661.7705 83  58516 303412417      402416        C-13-H3C-13-H2C-13-N
  355992.1925  0.0016 -3.4666 3  661.7705 83  58516 303412418      402417        C-13-H3C-13-H2C-13-N
  356091.6511  0.0113 -4.5353 3  653.7871135  58516 30367 464      67 365        C-13-H3C-13-H2C-13-N
  356121.2752  0.0035 -6.2418 3   37.0693 29  58516 30314 510      14 311        C-13-H3C-13-H2C-13-N
  356140.6397  0.0113 -5.3401 3  653.7855135  58516 30367 464      67 265        C-13-H3C-13-H2C-13-N
  356155.9719  0.0018 -3.5602 3  697.4528 83  58516 303412516      402515        C-13-H3C-13-H2C-13-N
  356155.9719  0.0018 -3.5602 3  697.4528 83  58516 303412517      402516        C-13-H3C-13-H2C-13-N
  356211.4947  0.0010 -2.4647 3  263.9651 83  58516 30341 636      40 635        C-13-H3C-13-H2C-13-N
  356241.4694  0.0033 -4.3798 3  706.7146135  58516 30367 958      67 859        C-13-H3C-13-H2C-13-N
  356306.1864  0.0230 -5.6790 3 1068.6243169  58516 30384 877      83 974        C-13-H3C-13-H2C-13-N
  356327.5925  0.0020 -3.6585 3  734.5106 83  58516 303412615      402614        C-13-H3C-13-H2C-13-N
  356327.5925  0.0020 -3.6585 3  734.5106 83  58516 303412616      402615        C-13-H3C-13-H2C-13-N
  356350.1239  0.0020 -3.7937 3   56.1275 37  58516 30318 514      17 413        C-13-H3C-13-H2C-13-N
  356408.7149  0.0029 -4.8052 3  186.7886 45  58516 3032213 9      231212        C-13-H3C-13-H2C-13-N
  356408.7149  0.0029 -4.8052 3  186.7886 45  58516 303221310      231211        C-13-H3C-13-H2C-13-N
  356438.0226  0.0011 -2.4447 3  255.9871 83  58516 30341 537      40 536        C-13-H3C-13-H2C-13-N
  356475.2353  0.0020 -3.7934 3   56.1235 37  58516 30318 513      17 414        C-13-H3C-13-H2C-13-N
  356486.6743  0.0052 -4.5872 3  829.0526147  58516 30373 965      73 866        C-13-H3C-13-H2C-13-N
  356506.8011  0.0024 -3.7616 3  772.9348 83  58516 303412714      402713        C-13-H3C-13-H2C-13-N
  356506.8011  0.0024 -3.7616 3  772.9348 83  58516 303412715      402714        C-13-H3C-13-H2C-13-N
  356522.1162  0.0031 -5.8237 3   67.3938 41  58516 30320 515      20 318        C-13-H3C-13-H2C-13-N
  356524.0588  0.0032 -5.8790 3   61.6128 39  58516 30319 514      19 317        C-13-H3C-13-H2C-13-N
  356531.4814  0.0010 -2.4640 3  263.9985 83  58516 30341 635      40 634        C-13-H3C-13-H2C-13-N
  356545.9746  0.0035 -6.3367 3   33.0123 27  58516 30313 5 9      13 310        C-13-H3C-13-H2C-13-N
  356576.0051  0.0032 -5.9391 3   56.1201 37  58516 30318 513      18 316        C-13-H3C-13-H2C-13-N
  356587.7687  0.0031 -5.7729 3   73.4629 43  58516 30321 516      21 319        C-13-H3C-13-H2C-13-N
  356662.5912  0.0033 -6.0046 3   50.9162 35  58516 30317 512      17 315        C-13-H3C-13-H2C-13-N
  356693.3764  0.0028 -3.8699 3  812.7159 83  58516 303412813      402812        C-13-H3C-13-H2C-13-N
  356693.3764  0.0028 -3.8699 3  812.7159 83  58516 303412814      402813        C-13-H3C-13-H2C-13-N
  356718.6442  0.0170 -5.7751 3 1155.0623175  58516 30387 979      861076        C-13-H3C-13-H2C-13-N
  356740.8272  0.0030 -5.7262 3   79.8195 45  58516 30322 517      22 320        C-13-H3C-13-H2C-13-N
  356770.6680  0.0034 -6.0761 3   46.0014 33  58516 30316 511      16 314        C-13-H3C-13-H2C-13-N
  356887.1221  0.0033 -3.9836 3  853.8445 83  58516 303412912      402911        C-13-H3C-13-H2C-13-N
  356887.1221  0.0033 -3.9836 3  853.8445 83  58516 303412913      402912        C-13-H3C-13-H2C-13-N
  356889.2647  0.0034 -6.1545 3   41.3758 31  58516 30315 510      15 313        C-13-H3C-13-H2C-13-N
  356934.6371  0.0166 -4.8739 3  927.5265159  58516 30379 574      79 475        C-13-H3C-13-H2C-13-N
  356979.8392  0.0050 -4.1642 3   82.0647 49  58516 30324 321      23 222        C-13-H3C-13-H2C-13-N
  357003.3020  0.0030 -5.6833 3   86.4632 47  58516 30323 518      23 321        C-13-H3C-13-H2C-13-N
  357009.5212  0.0035 -6.2406 3   37.0397 29  58516 30314 5 9      14 312        C-13-H3C-13-H2C-13-N
  357011.3768  0.0614 -6.2223 3 1714.8423213  58516 303A61195      A61096        C-13-H3C-13-H2C-13-N
  357036.5758  0.0128 -5.1291 3 1129.8968173  58516 30386 978      86 879        C-13-H3C-13-H2C-13-N
  357071.0367  0.0027 -4.7255 3  242.8715 55  58516 303271413      281316        C-13-H3C-13-H2C-13-N
  357071.0367  0.0027 -4.7255 3  242.8715 55  58516 303271414      281315        C-13-H3C-13-H2C-13-N
  357087.8615  0.0038 -4.1032 3  896.3108 83  58516 303413011      403010        C-13-H3C-13-H2C-13-N
  357087.8615  0.0038 -4.1032 3  896.3108 83  58516 303413012      403011        C-13-H3C-13-H2C-13-N
  357124.5892  0.0035 -6.3359 3   32.9930 27  58516 30313 5 8      13 311        C-13-H3C-13-H2C-13-N
  357141.8469  0.0166 -6.0289 3 1298.1141185  58516 303921083      911180        C-13-H3C-13-H2C-13-N
  357180.1668  0.0036 -5.4164 3   34.0871 33  58516 30316 314      15 015        C-13-H3C-13-H2C-13-N
  357260.0576  0.0048 -4.5490 3  807.9070145  58516 30372 964      72 865        C-13-H3C-13-H2C-13-N
  357295.4345  0.0046 -4.2292 3  940.1048 83  58516 303413110      4031 9        C-13-H3C-13-H2C-13-N
  357295.4345  0.0046 -4.2292 3  940.1048 83  58516 303413111      403110        C-13-H3C-13-H2C-13-N
  357360.6990  0.0182 -6.3115 3 1449.7754195  58516 303971186      961285        C-13-H3C-13-H2C-13-N
  357399.3749  0.0030 -5.6440 3   93.3933 49  58516 30324 519      24 322        C-13-H3C-13-H2C-13-N
  357509.6938  0.0056 -4.3624 3  985.2164 83  58516 3034132 9      4032 8        C-13-H3C-13-H2C-13-N
  357509.6938  0.0056 -4.3624 3  985.2164 83  58516 303413210      4032 9        C-13-H3C-13-H2C-13-N
  357669.7671  0.0025 -4.7191 3  307.6441 65  58516 303321517      331420        C-13-H3C-13-H2C-13-N
  357669.7671  0.0025 -4.7191 3  307.6441 65  58516 303321518      331419        C-13-H3C-13-H2C-13-N
  357730.5028  0.0070 -4.5038 3 1031.6353 83  58516 3034133 8      4033 7        C-13-H3C-13-H2C-13-N
  357730.5028  0.0070 -4.5038 3 1031.6353 83  58516 3034133 9      4033 8        C-13-H3C-13-H2C-13-N
  357742.7708  0.0026 -3.8561 3   93.9723 51  58516 30325 422      24 321        C-13-H3C-13-H2C-13-N
  357883.2248  0.0019 -3.8643 3   79.8195 47  58516 30323 419      22 320        C-13-H3C-13-H2C-13-N
  357955.3708  0.0030 -5.6082 3  100.6093 51  58516 30325 520      25 323        C-13-H3C-13-H2C-13-N
  357957.7341  0.0090 -4.6548 3 1079.3510 83  58516 3034134 7      4034 6        C-13-H3C-13-H2C-13-N
  357957.7341  0.0090 -4.6548 3 1079.3510 83  58516 3034134 8      4034 7        C-13-H3C-13-H2C-13-N
  358005.2260  0.0148 -5.0112 3 1032.9449167  58516 30383 777      83 678        C-13-H3C-13-H2C-13-N
  358083.3709  0.0044 -4.5114 3  787.0499143  58516 30371 963      71 864        C-13-H3C-13-H2C-13-N
  358156.7609  0.0022 -3.7698 3   41.1519 27  58516 30313 6 8      12 5 7        C-13-H3C-13-H2C-13-N
  358156.8492  0.0022 -3.7698 3   41.1519 27  58516 30313 6 7      12 5 8        C-13-H3C-13-H2C-13-N
  358157.7639  0.0031 -4.3433 3  687.2674133  58516 30366 957      66 858        C-13-H3C-13-H2C-13-N
  358191.2677  0.0120 -4.8175 3 1128.3529 83  58516 3034135 6      4035 5        C-13-H3C-13-H2C-13-N
  358191.2677  0.0120 -4.8175 3 1128.3529 83  58516 3034135 7      4035 6        C-13-H3C-13-H2C-13-N
  358214.6627  0.0025 -4.7624 3  381.1015 75  58516 303371621      381524        C-13-H3C-13-H2C-13-N
  358214.6627  0.0025 -4.7624 3  381.1015 75  58516 303371622      381523        C-13-H3C-13-H2C-13-N
  358353.4990  0.0136 -5.1735 3 1155.0078175  58516 30387 979      87 880        C-13-H3C-13-H2C-13-N
  358423.0128  0.0054 -5.5230 3  626.6317129  58516 30364 758      64 559        C-13-H3C-13-H2C-13-N
  358430.9902  0.0162 -4.9952 3 1178.6302 83  58516 3034136 5      4036 4        C-13-H3C-13-H2C-13-N
  358430.9902  0.0162 -4.9952 3 1178.6302 83  58516 3034136 6      4036 5        C-13-H3C-13-H2C-13-N
  358676.7938  0.0222 -5.1932 3 1230.1721 83  58516 3034137 4      4037 3        C-13-H3C-13-H2C-13-N
  358676.7938  0.0222 -5.1932 3 1230.1721 83  58516 3034137 5      4037 4        C-13-H3C-13-H2C-13-N
  358699.7322  0.0030 -5.5757 3  108.1104 53  58516 30326 521      26 324        C-13-H3C-13-H2C-13-N
  358715.7609  0.0028 -4.8443 3  463.2378 85  58516 303421725      431628        C-13-H3C-13-H2C-13-N
  358715.7609  0.0028 -4.8443 3  463.2378 85  58516 303421726      431627        C-13-H3C-13-H2C-13-N
  358759.1606  0.0011 -2.4218 3  254.3589 85  58516 30342 340      41 339        C-13-H3C-13-H2C-13-N
  358786.3417  0.0122 -5.9100 3 1009.0350165  58516 30382 776      82 577        C-13-H3C-13-H2C-13-N
  358912.7958  0.0011 -2.4394 3  256.3365 83  58516 30341 536      40 535        C-13-H3C-13-H2C-13-N
  358928.5757  0.0303 -5.4220 3 1282.9675 83  58516 3034138 3      4038 2        C-13-H3C-13-H2C-13-N
  358928.5757  0.0303 -5.4220 3 1282.9675 83  58516 3034138 4      4038 3        C-13-H3C-13-H2C-13-N
  358945.1207  0.0041 -4.4744 3  766.4815141  58516 30370 962      70 863        C-13-H3C-13-H2C-13-N
  358960.9160  0.0140 -5.5141 3  785.0795147  58516 30373 469      73 470        C-13-H3C-13-H2C-13-N
  359068.4691  0.0182 -5.9695 3 1271.8289183  58516 303911081      901180        C-13-H3C-13-H2C-13-N
  359183.0990  0.0031 -4.9584 3  554.0461 95  58516 303471829      481732        C-13-H3C-13-H2C-13-N
  359183.0990  0.0031 -4.9584 3  554.0461 95  58516 303471830      481731        C-13-H3C-13-H2C-13-N
  359186.2375  0.0410 -5.7046 3 1337.0052 83  58516 3034139 2      4039 1        C-13-H3C-13-H2C-13-N
  359186.2375  0.0410 -5.7046 3 1337.0052 83  58516 3034139 3      4039 2        C-13-H3C-13-H2C-13-N
  359219.8616  0.0139 -4.6730 3  785.0708147  58516 30373 469      73 370        C-13-H3C-13-H2C-13-N
  359419.8435  0.0024 -3.7473 3   34.9147 17  58516 303 8 7 1       7 6 2        C-13-H3C-13-H2C-13-N
  359419.8435  0.0024 -3.7473 3   34.9147 17  58516 303 8 7 2       7 6 1        C-13-H3C-13-H2C-13-N
  359449.6853  0.0550 -6.1147 3 1392.2739 83  58516 3034140 1      4040 0        C-13-H3C-13-H2C-13-N
  359449.6853  0.0550 -6.1147 3 1392.2739 83  58516 3034140 2      4040 1        C-13-H3C-13-H2C-13-N
  359626.5397  0.0032 -5.1010 3  653.5184105  58516 303521933      531836        C-13-H3C-13-H2C-13-N
  359626.5397  0.0032 -5.1010 3  653.5184105  58516 303521934      531835        C-13-H3C-13-H2C-13-N
  359663.0036  0.0030 -5.5464 3  115.8961 55  58516 30327 522      27 325        C-13-H3C-13-H2C-13-N
  359834.6464  0.0038 -4.4381 3  746.2024139  58516 30369 961      69 862        C-13-H3C-13-H2C-13-N
  359903.7547  0.0028 -4.3079 3  668.1170131  58516 30365 956      65 857        C-13-H3C-13-H2C-13-N
  359906.0149  0.0143 -5.2182 3 1180.3957177  58516 30388 980      88 881        C-13-H3C-13-H2C-13-N
  359929.4650  0.0141 -4.8216 3  905.1592157  58516 30378 673      78 574        C-13-H3C-13-H2C-13-N
  360055.6601  0.0032 -5.2695 3  761.6455115  58516 303572037      581940        C-13-H3C-13-H2C-13-N
  360055.6601  0.0032 -5.2695 3  761.6455115  58516 303572038      581939        C-13-H3C-13-H2C-13-N
  360184.4582  0.0261 -6.1197 3 1130.3939175  58516 30387 681      87 682        C-13-H3C-13-H2C-13-N
  360202.8510  0.0011 -2.4176 3  254.0538 85  58516 30342 240      41 239        C-13-H3C-13-H2C-13-N
  360259.2998  0.0173 -5.2955 3  568.4158127  58516 30363 261      63 262        C-13-H3C-13-H2C-13-N
  360263.4927  0.0173 -4.5257 3  568.4156127  58516 30363 261      63 162        C-13-H3C-13-H2C-13-N
  360303.7352  0.0012 -3.5235 3  258.8364 87  58516 30343 142      42 241        C-13-H3C-13-H2C-13-N
  360350.8106  0.0165 -5.2226 3 1168.3757177  58516 30388 881      88 782        C-13-H3C-13-H2C-13-N
  360375.8482  0.0173 -4.5254 3  568.4158127  58516 30363 361      63 262        C-13-H3C-13-H2C-13-N
  360380.0411  0.0173 -5.2952 3  568.4156127  58516 30363 361      63 162        C-13-H3C-13-H2C-13-N
  360386.3642  0.0192 -5.2373 3 1193.6555177  58516 303881078      88 979        C-13-H3C-13-H2C-13-N
  360390.7625  0.0012 -2.4133 3  247.1757 83  58516 30341 338      40 337        C-13-H3C-13-H2C-13-N
  360479.6794  0.0045 -5.4622 3  878.4176125  58516 303622141      632044        C-13-H3C-13-H2C-13-N
  360479.6794  0.0045 -5.4622 3  878.4176125  58516 303622142      632043        C-13-H3C-13-H2C-13-N
  360503.7105  0.0012 -3.6715 3  266.3259 87  58516 30343 241      42 340        C-13-H3C-13-H2C-13-N
  360715.8196  0.0012 -2.4151 3  258.8364 87  58516 30343 242      42 241        C-13-H3C-13-H2C-13-N
  360742.1743  0.0035 -4.4025 3  726.2130137  58516 30368 960      68 861        C-13-H3C-13-H2C-13-N
  360816.2505  0.0012 -2.4148 3  258.8193 87  58516 30343 142      42 141        C-13-H3C-13-H2C-13-N
  360877.8255  0.0031 -5.5203 3  123.9657 57  58516 30328 523      28 326        C-13-H3C-13-H2C-13-N
  360907.0639  0.0259 -5.7279 3 1093.0251171  58516 30385 878      84 975        C-13-H3C-13-H2C-13-N
  360907.4068  0.0092 -5.6778 3 1003.8236135  58516 303672245      682148        C-13-H3C-13-H2C-13-N
  360907.4068  0.0092 -5.6778 3 1003.8236135  58516 303672246      682147        C-13-H3C-13-H2C-13-N
  361228.3348  0.0012 -3.5212 3  258.8193 87  58516 30343 242      42 141        C-13-H3C-13-H2C-13-N
  361253.0274  0.0138 -5.7033 3  905.1150157  58516 30378 673      78 474        C-13-H3C-13-H2C-13-N
  361347.2036  0.0179 -5.9154 3 1137.8515145  58516 303722349      732252        C-13-H3C-13-H2C-13-N
  361347.2036  0.0179 -5.9154 3 1137.8515145  58516 303722350      732251        C-13-H3C-13-H2C-13-N
  361352.9029  0.0013 -3.6599 3  242.3055 83  58516 30341 339      40 238        C-13-H3C-13-H2C-13-N
  361408.5666  0.0070 -5.6853 3  162.7866 67  58516 30333 429      33 232        C-13-H3C-13-H2C-13-N
  361496.2550  0.0026 -4.2736 3  649.2627129  58516 30364 955      64 856        C-13-H3C-13-H2C-13-N
  361557.9507  0.0374 -5.5879 3 1352.3310191  58516 30395 788      95 689        C-13-H3C-13-H2C-13-N
  361658.8511  0.0032 -4.3675 3  706.5134135  58516 30367 959      67 860        C-13-H3C-13-H2C-13-N
  361700.4212  0.0151 -5.2632 3 1206.0597179  58516 30389 981      89 882        C-13-H3C-13-H2C-13-N
  361806.9510  0.0318 -6.1743 3 1280.4884155  58516 303772453      782356        C-13-H3C-13-H2C-13-N
  361806.9510  0.0318 -6.1743 3 1280.4884155  58516 303772454      782355        C-13-H3C-13-H2C-13-N
  361839.8779  0.0340 -5.3953 3  488.1791119  58516 30359 158      59 159        C-13-H3C-13-H2C-13-N
  361840.0622  0.0340 -4.6572 3  488.1791119  58516 30359 158      59 059        C-13-H3C-13-H2C-13-N
  361840.7809  0.0038 -5.3395 3  301.1734 89  58516 30344 639      44 440        C-13-H3C-13-H2C-13-N
  361850.6172  0.0340 -4.6571 3  488.1791119  58516 30359 258      59 159        C-13-H3C-13-H2C-13-N
  361850.8014  0.0340 -5.3953 3  488.1791119  58516 30359 258      59 059        C-13-H3C-13-H2C-13-N
  361941.8389  0.0121 -5.3642 3  672.7985137  58516 30368 365      68 366        C-13-H3C-13-H2C-13-N
  361981.2135  0.0121 -4.5607 3  672.7971137  58516 30368 365      68 266        C-13-H3C-13-H2C-13-N
  362228.6341  0.0135 -4.6661 3  785.0795147  58516 30373 569      73 470        C-13-H3C-13-H2C-13-N
  362345.4313  0.0019 -3.4239 3  262.2606 89  58516 30344 044      43 143        C-13-H3C-13-H2C-13-N
  362353.5222  0.0019 -2.4071 3  262.2606 89  58516 30344 144      43 143        C-13-H3C-13-H2C-13-N
  362355.8102  0.0019 -2.4071 3  262.2602 89  58516 30344 044      43 043        C-13-H3C-13-H2C-13-N
  362363.9011  0.0019 -3.4239 3  262.2602 89  58516 30344 144      43 043        C-13-H3C-13-H2C-13-N
  362378.9409  0.0031 -5.4972 3  132.3182 59  58516 30329 524      29 327        C-13-H3C-13-H2C-13-N
  362487.5797  0.0135 -5.5064 3  785.0708147  58516 30373 569      73 370        C-13-H3C-13-H2C-13-N
  362530.4370  0.0011 -2.4171 3  251.0193 83  58516 30341 437      40 436        C-13-H3C-13-H2C-13-N
  362576.7575  0.0030 -4.3333 3  687.1040133  58516 30366 958      66 859        C-13-H3C-13-H2C-13-N
  362582.6740  0.0597 -6.0813 3 1623.1898209  58516 303A4 896      A4 797        C-13-H3C-13-H2C-13-N
  362643.0622  0.0120 -4.5591 3  672.7985137  58516 30368 465      68 366        C-13-H3C-13-H2C-13-N
  362682.4369  0.0120 -5.3625 3  672.7971137  58516 30368 465      68 266        C-13-H3C-13-H2C-13-N
  362775.0881  0.0030 -5.0820 3   74.8287 47  58516 30323 320      22 121        C-13-H3C-13-H2C-13-N
  362950.6958  0.0025 -4.2404 3  630.7038127  58516 30363 954      63 855        C-13-H3C-13-H2C-13-N
  362993.7621  0.0250 -5.1970 3 1130.3002175  58516 30387 681      87 582        C-13-H3C-13-H2C-13-N
  363155.9795  0.0084 -4.7882 3   65.1285 45  58516 30322 220      21 121        C-13-H3C-13-H2C-13-N
  363292.6667  0.0027 -3.8488 3  101.3180 53  58516 30326 423      25 322        C-13-H3C-13-H2C-13-N
  363328.7756  0.0011 -2.4261 3  261.0158 85  58516 30342 439      41 438        C-13-H3C-13-H2C-13-N
  363488.9039  0.0028 -4.2999 3  667.9850131  58516 30365 957      65 858        C-13-H3C-13-H2C-13-N
  363496.1547  0.0031 -6.0583 3   96.9510 23  58516 3031111 0      1210 3        C-13-H3C-13-H2C-13-N
  363496.1547  0.0031 -6.0583 3   96.9510 23  58516 3031111 1      1210 2        C-13-H3C-13-H2C-13-N
  363505.2051  0.0011 -2.6555 3  355.7124 85  58516 303421230      411229        C-13-H3C-13-H2C-13-N
  363505.2051  0.0011 -2.6555 3  355.7124 85  58516 303421231      411230        C-13-H3C-13-H2C-13-N
  363506.1525  0.0011 -2.7009 3  374.2607 85  58516 303421329      411328        C-13-H3C-13-H2C-13-N
  363506.1525  0.0011 -2.7009 3  374.2607 85  58516 303421330      411329        C-13-H3C-13-H2C-13-N
  363517.7715  0.0135 -5.9403 3 1032.7610167  58516 30383 777      83 578        C-13-H3C-13-H2C-13-N
  363533.9967  0.0011 -2.7500 3  394.2778 85  58516 303421428      411427        C-13-H3C-13-H2C-13-N
  363533.9967  0.0011 -2.7500 3  394.2778 85  58516 303421429      411428        C-13-H3C-13-H2C-13-N
  363538.8566  0.0011 -2.6138 3  338.6404 85  58516 303421131      411130        C-13-H3C-13-H2C-13-N
  363538.8566  0.0011 -2.6138 3  338.6404 85  58516 303421132      411131        C-13-H3C-13-H2C-13-N
  363572.7969  0.0572 -6.1515 3 1683.9956211  58516 303A51194      A51095        C-13-H3C-13-H2C-13-N
  363583.5724  0.0011 -2.8027 3  415.7564 85  58516 303421527      411526        C-13-H3C-13-H2C-13-N
  363583.5724  0.0011 -2.8027 3  415.7564 85  58516 303421528      411527        C-13-H3C-13-H2C-13-N
  363619.0676  0.0010 -2.5756 3  323.0535 85  58516 303421033      411032        C-13-H3C-13-H2C-13-N
  363619.0697  0.0010 -2.5756 3  323.0535 85  58516 303421032      411031        C-13-H3C-13-H2C-13-N
  363651.2968  0.0012 -2.8591 3  438.6896 85  58516 303421626      411625        C-13-H3C-13-H2C-13-N
  363651.2968  0.0012 -2.8591 3  438.6896 85  58516 303421627      411626        C-13-H3C-13-H2C-13-N
  363734.6126  0.0012 -2.9193 3  463.0704 85  58516 303421725      411724        C-13-H3C-13-H2C-13-N
  363734.6126  0.0012 -2.9193 3  463.0704 85  58516 303421726      411725        C-13-H3C-13-H2C-13-N
  363741.5570  0.0159 -5.3084 3 1231.9989181  58516 30390 982      90 883        C-13-H3C-13-H2C-13-N
  363765.3626  0.0010 -2.5410 3  308.9623 85  58516 30342 934      41 933        C-13-H3C-13-H2C-13-N
  363765.4327  0.0010 -2.5410 3  308.9623 85  58516 30342 933      41 932        C-13-H3C-13-H2C-13-N
  363830.0338  0.0179 -5.7814 3  950.2352161  58516 30380 575      80 576        C-13-H3C-13-H2C-13-N
  363831.6476  0.0012 -2.9833 3  488.8917 85  58516 303421824      411823        C-13-H3C-13-H2C-13-N
  363831.6476  0.0012 -2.9833 3  488.8917 85  58516 303421825      411824        C-13-H3C-13-H2C-13-N
  363850.7523  0.0160 -5.0466 3 1056.9059169  58516 30384 778      84 679        C-13-H3C-13-H2C-13-N
  363940.9998  0.0013 -3.0511 3  516.1461 85  58516 303421923      411922        C-13-H3C-13-H2C-13-N
  363940.9998  0.0013 -3.0511 3  516.1461 85  58516 303421924      411923        C-13-H3C-13-H2C-13-N
  364011.2245  0.0010 -2.5098 3  296.3815 85  58516 30342 835      41 834        C-13-H3C-13-H2C-13-N
  364012.9873  0.0010 -2.5098 3  296.3816 85  58516 30342 834      41 833        C-13-H3C-13-H2C-13-N
  364061.5975  0.0013 -3.1228 3  544.8261 85  58516 303422022      412021        C-13-H3C-13-H2C-13-N
  364061.5975  0.0013 -3.1228 3  544.8261 85  58516 303422023      412022        C-13-H3C-13-H2C-13-N
  364192.6050  0.0014 -3.1985 3  574.9242 85  58516 303422121      412120        C-13-H3C-13-H2C-13-N
  364192.6050  0.0014 -3.1985 3  574.9242 85  58516 303422122      412121        C-13-H3C-13-H2C-13-N
  364203.2133  0.0032 -5.4771 3  140.9531 61  58516 30330 525      30 328        C-13-H3C-13-H2C-13-N
  364262.9202  0.0054 -5.5108 3  607.8834127  58516 30363 757      63 558        C-13-H3C-13-H2C-13-N
  364281.0799  0.0023 -4.2081 3  612.4397125  58516 30362 953      62 854        C-13-H3C-13-H2C-13-N
  364303.4242  0.0031 -5.1094 3  134.2006 33  58516 3031612 4      1711 7        C-13-H3C-13-H2C-13-N
  364303.4242  0.0031 -5.1094 3  134.2006 33  58516 3031612 5      1711 6        C-13-H3C-13-H2C-13-N
  364333.3593  0.0014 -3.2781 3  606.4322 85  58516 303422220      412219        C-13-H3C-13-H2C-13-N
  364333.3593  0.0014 -3.2781 3  606.4322 85  58516 303422221      412220        C-13-H3C-13-H2C-13-N
  364340.3171  0.0115 -6.2851 3  121.5701 59  58516 30329 326      29 129        C-13-H3C-13-H2C-13-N
  364389.2095  0.0026 -4.2671 3  649.1566129  58516 30364 956      64 857        C-13-H3C-13-H2C-13-N
  364409.5209  0.0010 -2.4821 3  285.3337 85  58516 30342 736      41 735        C-13-H3C-13-H2C-13-N
  364442.0171  0.0010 -2.4820 3  285.3366 85  58516 30342 735      41 734        C-13-H3C-13-H2C-13-N
  364483.3244  0.0015 -3.3618 3  639.3420 85  58516 303422319      412318        C-13-H3C-13-H2C-13-N
  364483.3244  0.0015 -3.3618 3  639.3420 85  58516 303422320      412319        C-13-H3C-13-H2C-13-N
  364574.6247  0.0150 -5.3169 3  928.3206157  58516 30378 870      77 969        C-13-H3C-13-H2C-13-N
  364642.0601  0.0016 -3.4498 3  673.6451 85  58516 303422418      412417        C-13-H3C-13-H2C-13-N
  364642.0601  0.0016 -3.4498 3  673.6451 85  58516 303422419      412418        C-13-H3C-13-H2C-13-N
  364648.5804  0.0115 -5.5860 3  121.5598 59  58516 30329 326      29 029        C-13-H3C-13-H2C-13-N
  364720.6183  0.0067 -5.0126 3  162.6761 67  58516 30333 429      33 132        C-13-H3C-13-H2C-13-N
  364743.4472  0.0177 -4.9027 3  950.2047161  58516 30380 575      80 476        C-13-H3C-13-H2C-13-N
  364809.1990  0.0017 -3.5420 3  709.3329 85  58516 303422517      412516        C-13-H3C-13-H2C-13-N
  364809.1990  0.0017 -3.5420 3  709.3329 85  58516 303422518      412517        C-13-H3C-13-H2C-13-N
  364814.2884  0.0291 -5.7807 3 1117.7279173  58516 30386 879      85 976        C-13-H3C-13-H2C-13-N
  364835.3298  0.0020 -3.7730 3   61.3352 39  58516 30319 515      18 414        C-13-H3C-13-H2C-13-N
  364957.1574  0.0011 -2.4578 3  275.8471 85  58516 30342 637      41 636        C-13-H3C-13-H2C-13-N
  364984.4293  0.0020 -3.6387 3  746.3964 85  58516 303422616      412615        C-13-H3C-13-H2C-13-N
  364984.4293  0.0020 -3.6387 3  746.3964 85  58516 303422617      412616        C-13-H3C-13-H2C-13-N
  364986.7086  0.0082 -5.5029 3   65.0674 45  58516 30322 220      21 021        C-13-H3C-13-H2C-13-N
  365028.4318  0.0030 -4.8386 3  180.1457 43  58516 3032113 8      221211        C-13-H3C-13-H2C-13-N
  365028.4318  0.0030 -4.8386 3  180.1457 43  58516 3032113 9      221210        C-13-H3C-13-H2C-13-N
  365031.5960  0.0020 -3.7727 3   61.3290 39  58516 30319 514      18 415        C-13-H3C-13-H2C-13-N
  365046.4719  0.0177 -5.2631 3 1193.8831179  58516 30389 882      89 783        C-13-H3C-13-H2C-13-N
  365091.9255  0.0190 -5.8079 3 1180.2227177  58516 30388 980      871077        C-13-H3C-13-H2C-13-N
  365110.4545  0.0011 -2.4381 3  267.8766 85  58516 30342 538      41 537        C-13-H3C-13-H2C-13-N
  365149.8132  0.0043 -5.8935 3   38.7361 35  58516 30317 315      16 116        C-13-H3C-13-H2C-13-N
  365156.7401  0.0175 -5.1807 3 1168.0424175  58516 303871077      87 978        C-13-H3C-13-H2C-13-N
  365167.4824  0.0023 -3.7400 3  784.8266 85  58516 303422715      412714        C-13-H3C-13-H2C-13-N
  365167.4824  0.0023 -3.7400 3  784.8266 85  58516 303422716      412715        C-13-H3C-13-H2C-13-N
  365272.4676  0.0025 -4.2351 3  630.6189127  58516 30363 955      63 856        C-13-H3C-13-H2C-13-N
  365358.1241  0.0027 -3.8461 3  824.6139 85  58516 303422814      412813        C-13-H3C-13-H2C-13-N
  365358.1241  0.0027 -3.8461 3  824.6139 85  58516 303422815      412814        C-13-H3C-13-H2C-13-N
  365365.0500  0.0011 -2.4569 3  275.8911 85  58516 30342 636      41 635        C-13-H3C-13-H2C-13-N
  365499.9985  0.0022 -4.1768 3  594.4697123  58516 30361 952      61 853        C-13-H3C-13-H2C-13-N
  365556.1467  0.0031 -3.9574 3  865.7490 85  58516 303422913      412912        C-13-H3C-13-H2C-13-N
  365556.1467  0.0031 -3.9574 3  865.7490 85  58516 303422914      412913        C-13-H3C-13-H2C-13-N
  365597.4100  0.0045 -4.4423 3  488.9904115  58516 30357 552      56 651        C-13-H3C-13-H2C-13-N
  365678.1798  0.0028 -4.7345 3  234.7841 53  58516 303261412      271315        C-13-H3C-13-H2C-13-N
  365678.1798  0.0028 -4.7345 3  234.7841 53  58516 303261413      271314        C-13-H3C-13-H2C-13-N
  365736.3150  0.0183 -5.6433 3 1105.5283171  58516 30385 976      841075        C-13-H3C-13-H2C-13-N
  365761.3640  0.0037 -4.0740 3  908.2220 85  58516 303423012      413011        C-13-H3C-13-H2C-13-N
  365761.3640  0.0037 -4.0740 3  908.2220 85  58516 303423013      413012        C-13-H3C-13-H2C-13-N
  365973.6073  0.0044 -4.1966 3  952.0229 85  58516 303423111      413110        C-13-H3C-13-H2C-13-N
  365973.6073  0.0044 -4.1966 3  952.0229 85  58516 303423112      413111        C-13-H3C-13-H2C-13-N
  366032.7566  0.0167 -5.3540 3 1258.2125183  58516 30391 983      91 884        C-13-H3C-13-H2C-13-N
  366063.5381  0.0149 -5.5385 3  805.9226149  58516 30374 470      74 471        C-13-H3C-13-H2C-13-N
  366117.5303  0.0020 -3.8920 3  311.1748 93  58516 30346 343      45 442        C-13-H3C-13-H2C-13-N
  366134.3000  0.0023 -4.2039 3  612.3722125  58516 30362 954      62 855        C-13-H3C-13-H2C-13-N
  366192.7219  0.0054 -4.3255 3  997.1416 85  58516 303423210      4132 9        C-13-H3C-13-H2C-13-N
  366192.7219  0.0054 -4.3255 3  997.1416 85  58516 303423211      413210        C-13-H3C-13-H2C-13-N
  366261.3125  0.0026 -4.7136 3  298.1125 63  58516 303311516      321419        C-13-H3C-13-H2C-13-N
  366261.3125  0.0026 -4.7136 3  298.1125 63  58516 303311517      321418        C-13-H3C-13-H2C-13-N
  366275.0827  0.0148 -4.6996 3  805.9156149  58516 30374 470      74 371        C-13-H3C-13-H2C-13-N
  366342.7296  0.0152 -4.8529 3  927.5632159  58516 30379 674      79 575        C-13-H3C-13-H2C-13-N
  366389.6499  0.0034 -5.4602 3  149.8696 63  58516 30331 526      31 329        C-13-H3C-13-H2C-13-N
  366418.5646  0.0067 -4.4616 3 1043.5679 85  58516 3034233 9      4133 8        C-13-H3C-13-H2C-13-N
  366418.5646  0.0067 -4.4616 3 1043.5679 85  58516 303423310      4133 9        C-13-H3C-13-H2C-13-N
  366596.3660  0.0182 -6.0596 3 1324.6537187  58516 303931084      921181        C-13-H3C-13-H2C-13-N
  366618.6907  0.0021 -4.1465 3  576.7936121  58516 30360 951      60 852        C-13-H3C-13-H2C-13-N
  366651.0020  0.0088 -4.6059 3 1091.2912 85  58516 3034234 8      4134 7        C-13-H3C-13-H2C-13-N
  366651.0020  0.0088 -4.6059 3 1091.2912 85  58516 3034234 9      4134 8        C-13-H3C-13-H2C-13-N
  366666.2613  0.0103 -5.0093 3  766.4815143  58516 30371 764      70 863        C-13-H3C-13-H2C-13-N
  366773.0262  0.0183 -5.3162 3  586.1325129  58516 30364 262      64 263        C-13-H3C-13-H2C-13-N
  366776.3372  0.0183 -4.5471 3  586.1324129  58516 30364 262      64 163        C-13-H3C-13-H2C-13-N
  366787.3459  0.0026 -4.7470 3  370.1262 73  58516 303361620      371523        C-13-H3C-13-H2C-13-N
  366787.3459  0.0026 -4.7470 3  370.1262 73  58516 303361621      371522        C-13-H3C-13-H2C-13-N
  366797.3260  0.0022 -3.7452 3   44.9054 29  58516 30314 6 9      13 5 8        C-13-H3C-13-H2C-13-N
  366797.5247  0.0022 -3.7452 3   44.9054 29  58516 30314 6 8      13 5 9        C-13-H3C-13-H2C-13-N
  366866.9793  0.0183 -4.5469 3  586.1325129  58516 30364 362      64 263        C-13-H3C-13-H2C-13-N
  366870.2902  0.0183 -5.3159 3  586.1324129  58516 30364 362      64 163        C-13-H3C-13-H2C-13-N
  366889.9087  0.0118 -4.7597 3 1140.3009 85  58516 3034235 7      4135 6        C-13-H3C-13-H2C-13-N
  366889.9087  0.0118 -4.7597 3 1140.3009 85  58516 3034235 8      4135 7        C-13-H3C-13-H2C-13-N
  366967.2934  0.0011 -2.4171 3  266.3259 87  58516 30343 341      42 340        C-13-H3C-13-H2C-13-N
  366971.1021  0.0022 -4.1735 3  594.4164123  58516 30361 953      61 854        C-13-H3C-13-H2C-13-N
  367135.1664  0.0161 -4.9252 3 1190.5862 85  58516 3034236 6      4136 5        C-13-H3C-13-H2C-13-N
  367135.1664  0.0161 -4.9252 3 1190.5862 85  58516 3034236 7      4136 6        C-13-H3C-13-H2C-13-N
  367266.1771  0.0028 -4.8213 3  450.8197 83  58516 303411724      421627        C-13-H3C-13-H2C-13-N
  367266.1771  0.0028 -4.8213 3  450.8197 83  58516 303411725      421626        C-13-H3C-13-H2C-13-N
  367386.6625  0.0221 -5.1057 3 1242.1363 85  58516 3034237 5      4137 4        C-13-H3C-13-H2C-13-N
  367386.6625  0.0221 -5.1057 3 1242.1363 85  58516 3034237 6      4137 5        C-13-H3C-13-H2C-13-N
  367442.9011  0.0149 -5.7316 3  927.5265159  58516 30379 674      79 475        C-13-H3C-13-H2C-13-N
  367530.8855  0.0020 -3.8531 3   86.4632 49  58516 30324 420      23 321        C-13-H3C-13-H2C-13-N
  367644.2901  0.0303 -5.3065 3 1294.9401 85  58516 3034238 4      4138 3        C-13-H3C-13-H2C-13-N
  367644.2901  0.0303 -5.3065 3 1294.9401 85  58516 3034238 5      4138 4        C-13-H3C-13-H2C-13-N
  367647.1306  0.0020 -4.1171 3  559.4107119  58516 30359 950      59 851        C-13-H3C-13-H2C-13-N
  367707.7767  0.0031 -4.9291 3  540.1863 93  58516 303461828      471731        C-13-H3C-13-H2C-13-N
  367707.7767  0.0031 -4.9291 3  540.1863 93  58516 303461829      471730        C-13-H3C-13-H2C-13-N
  367779.9816  0.0021 -4.1439 3  576.7516121  58516 30360 952      60 853        C-13-H3C-13-H2C-13-N
  367907.9470  0.0412 -5.5380 3 1348.9864 85  58516 3034239 3      4139 2        C-13-H3C-13-H2C-13-N
  367907.9470  0.0412 -5.5380 3 1348.9864 85  58516 3034239 4      4139 3        C-13-H3C-13-H2C-13-N
  367908.4591  0.0013 -3.6474 3  254.0538 85  58516 30342 340      41 239        C-13-H3C-13-H2C-13-N
  367975.8213  0.0326 -5.8377 3 1142.7334175  58516 30387 880      86 977        C-13-H3C-13-H2C-13-N
  368026.6779  0.0011 -2.4321 3  268.3085 85  58516 30342 537      41 536        C-13-H3C-13-H2C-13-N
  368078.9329  0.0024 -3.7257 3   37.2234 19  58516 303 9 7 2       8 6 3        C-13-H3C-13-H2C-13-N
  368078.9329  0.0024 -3.7257 3   37.2234 19  58516 303 9 7 3       8 6 2        C-13-H3C-13-H2C-13-N
  368121.4918  0.0033 -4.1617 3  387.8265103  58516 30351 447      50 546        C-13-H3C-13-H2C-13-N
  368121.9948  0.0032 -5.0662 3  638.2181103  58516 303511932      521835        C-13-H3C-13-H2C-13-N
  368121.9948  0.0032 -5.0662 3  638.2181103  58516 303511933      521834        C-13-H3C-13-H2C-13-N
  368177.5353  0.0555 -5.8233 3 1404.2639 85  58516 3034240 2      4140 1        C-13-H3C-13-H2C-13-N
  368177.5353  0.0555 -5.8233 3 1404.2639 85  58516 3034240 3      4140 2        C-13-H3C-13-H2C-13-N
  368209.3187  0.0011 -2.4136 3  266.0688 87  58516 30343 241      42 240        C-13-H3C-13-H2C-13-N
  368298.6736  0.0359 -5.4140 3  504.6002121  58516 30360 159      60 160        C-13-H3C-13-H2C-13-N
  368298.8165  0.0359 -4.6760 3  504.6002121  58516 30360 159      60 060        C-13-H3C-13-H2C-13-N
  368307.1684  0.0359 -4.6760 3  504.6002121  58516 30360 259      60 160        C-13-H3C-13-H2C-13-N
  368307.3113  0.0359 -5.4140 3  504.6002121  58516 30360 259      60 060        C-13-H3C-13-H2C-13-N
  368394.6368  0.0030 -6.2410 3   22.1599 25  58516 30312 4 8      11 2 9        C-13-H3C-13-H2C-13-N
  368452.9615  0.0738 -6.2361 3 1460.7612 85  58516 3034241 1      4141 0        C-13-H3C-13-H2C-13-N
  368452.9615  0.0738 -6.2361 3 1460.7612 85  58516 3034241 2      4141 1        C-13-H3C-13-H2C-13-N
  368469.6166  0.0029 -3.8426 3  108.9665 55  58516 30327 424      26 323        C-13-H3C-13-H2C-13-N
  368518.4356  0.0032 -5.2298 3  744.9063113  58516 303562036      571939        C-13-H3C-13-H2C-13-N
  368518.4356  0.0032 -5.2298 3  744.9063113  58516 303562037      571938        C-13-H3C-13-H2C-13-N
  368519.5310  0.0148 -5.9715 3 1056.7502169  58516 30384 778      84 579        C-13-H3C-13-H2C-13-N
  368524.2138  0.0012 -3.5155 3  270.8686 89  58516 30344 143      43 242        C-13-H3C-13-H2C-13-N
  368558.6939  0.0020 -4.1150 3  559.3778119  58516 30359 951      59 852        C-13-H3C-13-H2C-13-N
  368575.8263  0.0176 -5.3998 3 1284.6996185  58516 30392 984      92 885        C-13-H3C-13-H2C-13-N
  368594.1307  0.0020 -4.0886 3  542.3207117  58516 30358 949      58 850        C-13-H3C-13-H2C-13-N
  368597.8377  0.0038 -5.3442 3  288.1910 87  58516 30343 638      43 439        C-13-H3C-13-H2C-13-N
  368614.4248  0.0129 -5.3872 3  692.0791139  58516 30369 366      69 367        C-13-H3C-13-H2C-13-N
  368631.2890  0.0012 -2.4085 3  259.1970 85  58516 30342 339      41 338        C-13-H3C-13-H2C-13-N
  368646.0526  0.0129 -4.5850 3  692.0781139  58516 30369 366      69 267        C-13-H3C-13-H2C-13-N
  368675.9728  0.0062 -4.7170 3  620.0339129  58516 30364 658      63 757        C-13-H3C-13-H2C-13-N
  368799.2614  0.0145 -4.6940 3  805.9226149  58516 30374 570      74 471        C-13-H3C-13-H2C-13-N
  368855.0200  0.0013 -2.4111 3  270.8686 89  58516 30344 243      43 242        C-13-H3C-13-H2C-13-N
  368906.3753  0.0045 -5.4180 3  860.2411123  58516 303612140      622043        C-13-H3C-13-H2C-13-N
  368906.3753  0.0045 -5.4180 3  860.2411123  58516 303612141      622042        C-13-H3C-13-H2C-13-N
  368924.6402  0.0611 -6.2703 3 1299.1533187  58516 30393 886      92 983        C-13-H3C-13-H2C-13-N
  368936.2982  0.0013 -2.4108 3  270.8549 89  58516 30344 143      43 142        C-13-H3C-13-H2C-13-N
  368979.4247  0.0035 -5.4464 3  159.0669 65  58516 30332 527      32 330        C-13-H3C-13-H2C-13-N
  369010.8061  0.0144 -5.5321 3  805.9156149  58516 30374 570      74 371        C-13-H3C-13-H2C-13-N
  369190.2241  0.0128 -4.5838 3  692.0791139  58516 30369 466      69 367        C-13-H3C-13-H2C-13-N
  369221.8519  0.0128 -5.3859 3  692.0781139  58516 30369 466      69 267        C-13-H3C-13-H2C-13-N
  369267.1043  0.0013 -3.5137 3  270.8549 89  58516 30344 243      43 142        C-13-H3C-13-H2C-13-N
  369294.7032  0.0091 -5.6295 3  984.2118133  58516 303662244      672147        C-13-H3C-13-H2C-13-N
  369294.7032  0.0091 -5.6295 3  984.2118133  58516 303662245      672146        C-13-H3C-13-H2C-13-N
  369305.5753  0.0020 -4.0870 3  542.2951117  58516 30358 950      58 851        C-13-H3C-13-H2C-13-N
  369307.0026  0.0270 -6.1469 3 1155.4239177  58516 30388 682      88 683        C-13-H3C-13-H2C-13-N
  369467.4517  0.0019 -4.0610 3  525.5233115  58516 30357 948      57 849        C-13-H3C-13-H2C-13-N
  369610.6761  0.0158 -5.1255 3 1142.7334173  58516 303861076      86 977        C-13-H3C-13-H2C-13-N
  369691.8785  0.0178 -5.8632 3 1116.8066143  58516 303712348      722251        C-13-H3C-13-H2C-13-N
  369691.8785  0.0178 -5.8632 3 1116.8066143  58516 303712349      722250        C-13-H3C-13-H2C-13-N
  369760.9055  0.0012 -3.6554 3  278.5666 89  58516 30344 242      43 341        C-13-H3C-13-H2C-13-N
  369813.2991  0.0173 -5.0826 3 1081.1346171  58516 30385 779      85 680        C-13-H3C-13-H2C-13-N
  369941.3530  0.0190 -5.3041 3 1219.6590181  58516 30390 883      90 784        C-13-H3C-13-H2C-13-N
  369998.8087  0.0530 -6.0815 3 1653.4494209  58516 303A41193      A41094        C-13-H3C-13-H2C-13-N
  370019.4763  0.0019 -4.0597 3  525.5035115  58516 30357 949      57 850        C-13-H3C-13-H2C-13-N
  370031.5361  0.0039 -5.3264 3   38.5733 35  58516 30317 315      16 016        C-13-H3C-13-H2C-13-N
  370105.8944  0.0317 -6.1183 3 1258.0127153  58516 303762452      772355        C-13-H3C-13-H2C-13-N
  370105.8944  0.0317 -6.1183 3 1258.0127153  58516 303762453      772354        C-13-H3C-13-H2C-13-N
  370273.9146  0.0019 -4.0343 3  509.0182113  58516 30356 947      56 848        C-13-H3C-13-H2C-13-N
  370342.6507  0.0365 -5.8989 3 1168.0424177  58516 30388 881      87 978        C-13-H3C-13-H2C-13-N
  370482.5083  0.0019 -3.4194 3  274.3474 91  58516 30345 045      44 144        C-13-H3C-13-H2C-13-N
  370488.8121  0.0019 -2.4035 3  274.3474 91  58516 30345 145      44 144        C-13-H3C-13-H2C-13-N
  370490.5993  0.0019 -2.4035 3  274.3471 91  58516 30345 045      44 044        C-13-H3C-13-H2C-13-N
  370496.9030  0.0019 -3.4194 3  274.3471 91  58516 30345 145      44 044        C-13-H3C-13-H2C-13-N
  370603.9516  0.0054 -5.4992 3  589.4066125  58516 30362 756      62 557        C-13-H3C-13-H2C-13-N
  370699.6966  0.0019 -4.0333 3  509.0029113  58516 30356 948      56 849        C-13-H3C-13-H2C-13-N
  370829.1585  0.0204 -5.9935 3 1298.0713185  58516 303921082      911181        C-13-H3C-13-H2C-13-N
  371019.5081  0.0018 -4.0084 3  492.8050111  58516 30355 946      55 847        C-13-H3C-13-H2C-13-N
  371065.6436  0.0556 -6.1873 3 1272.3222185  58516 30392 885      91 982        C-13-H3C-13-H2C-13-N
  371300.7947  0.0380 -5.6232 3 1379.7416193  58516 30396 789      96 690        C-13-H3C-13-H2C-13-N
  371345.9236  0.0018 -4.0077 3  492.7934111  58516 30355 947      55 848        C-13-H3C-13-H2C-13-N
  371371.0438  0.0184 -5.4460 3 1311.4593187  58516 30393 985      93 886        C-13-H3C-13-H2C-13-N
  371479.2978  0.0012 -2.4107 3  263.1120 85  58516 30342 438      41 437        C-13-H3C-13-H2C-13-N
  371656.0128  0.0189 -5.8081 3  973.1748163  58516 30381 576      81 577        C-13-H3C-13-H2C-13-N
  371671.9912  0.0260 -5.2293 3 1155.3450177  58516 30388 682      88 583        C-13-H3C-13-H2C-13-N
  371709.4911  0.0018 -3.9835 3  476.8836109  58516 30354 945      54 846        C-13-H3C-13-H2C-13-N
  371747.0877  0.0011 -2.4214 3  273.1352 87  58516 30343 440      42 439        C-13-H3C-13-H2C-13-N
  371870.1731  0.0408 -5.9644 3 1193.6555179  58516 30389 882      88 979        C-13-H3C-13-H2C-13-N
  371958.1738  0.0018 -3.9829 3  476.8748109  58516 30354 946      54 847        C-13-H3C-13-H2C-13-N
  372015.8849  0.0037 -5.4356 3  168.5442 67  58516 30333 528      33 331        C-13-H3C-13-H2C-13-N
  372145.2786  0.0011 -2.6937 3  386.3860 87  58516 303431330      421329        C-13-H3C-13-H2C-13-N
  372145.2786  0.0011 -2.6937 3  386.3860 87  58516 303431331      421330        C-13-H3C-13-H2C-13-N
  372148.8509  0.0011 -2.6487 3  367.8376 87  58516 303431231      421230        C-13-H3C-13-H2C-13-N
  372148.8509  0.0011 -2.6487 3  367.8376 87  58516 303431232      421231        C-13-H3C-13-H2C-13-N
  372170.1972  0.0011 -2.7424 3  406.4040 87  58516 303431429      421428        C-13-H3C-13-H2C-13-N
  372170.1972  0.0011 -2.7424 3  406.4040 87  58516 303431430      421429        C-13-H3C-13-H2C-13-N
  372189.1911  0.0011 -2.6072 3  350.7668 87  58516 303431133      421132        C-13-H3C-13-H2C-13-N
  372189.1912  0.0011 -2.6072 3  350.7668 87  58516 303431132      421131        C-13-H3C-13-H2C-13-N
  372218.0615  0.0011 -2.7947 3  427.8843 87  58516 303431528      421527        C-13-H3C-13-H2C-13-N
  372218.0615  0.0011 -2.7947 3  427.8843 87  58516 303431529      421528        C-13-H3C-13-H2C-13-N
  372259.2139  0.0503 -6.1086 3 1245.7953183  58516 30391 884      90 981        C-13-H3C-13-H2C-13-N
  372279.1725  0.0011 -2.5693 3  335.1825 87  58516 303431034      421033        C-13-H3C-13-H2C-13-N
  372279.1758  0.0011 -2.5693 3  335.1825 87  58516 303431033      421032        C-13-H3C-13-H2C-13-N
  372285.0287  0.0012 -2.8507 3  450.8197 87  58516 303431627      421626        C-13-H3C-13-H2C-13-N
  372285.0287  0.0012 -2.8507 3  450.8197 87  58516 303431628      421627        C-13-H3C-13-H2C-13-N
  372348.4861  0.0017 -3.9594 3  461.2538107  58516 30353 944      53 845        C-13-H3C-13-H2C-13-N
  372368.3576  0.0012 -2.9104 3  475.2033 87  58516 303431726      421725        C-13-H3C-13-H2C-13-N
  372368.3576  0.0012 -2.9104 3  475.2033 87  58516 303431727      421726        C-13-H3C-13-H2C-13-N
  372413.5374  0.0187 -4.9326 3  973.1495163  58516 30381 576      81 477        C-13-H3C-13-H2C-13-N
  372439.8502  0.0010 -2.5349 3  321.0962 87  58516 30343 935      42 934        C-13-H3C-13-H2C-13-N
  372439.9542  0.0010 -2.5349 3  321.0962 87  58516 30343 934      42 933        C-13-H3C-13-H2C-13-N
  372445.2244  0.0054 -4.1750 3   88.8945 51  58516 30325 322      24 223        C-13-H3C-13-H2C-13-N
  372466.0428  0.0012 -2.9738 3  501.0278 87  58516 303431825      421824        C-13-H3C-13-H2C-13-N
  372466.0428  0.0012 -2.9738 3  501.0278 87  58516 303431826      421825        C-13-H3C-13-H2C-13-N
  372519.5876  0.0454 -6.0343 3 1219.5730181  58516 30390 883      89 980        C-13-H3C-13-H2C-13-N
  372536.7393  0.0017 -3.9590 3  461.2471107  58516 30353 945      53 846        C-13-H3C-13-H2C-13-N
  372576.5833  0.0013 -3.0410 3  528.2858 87  58516 303431924      421923        C-13-H3C-13-H2C-13-N
  372576.5833  0.0013 -3.0410 3  528.2858 87  58516 303431925      421924        C-13-H3C-13-H2C-13-N
  372698.8329  0.0013 -3.1120 3  556.9699 87  58516 303432023      422022        C-13-H3C-13-H2C-13-N
  372698.8329  0.0013 -3.1120 3  556.9699 87  58516 303432024      422023        C-13-H3C-13-H2C-13-N
  372707.2672  0.0010 -2.5040 3  308.5236 87  58516 30343 836      42 835        C-13-H3C-13-H2C-13-N
  372709.7548  0.0010 -2.5039 3  308.5238 87  58516 30343 835      42 834        C-13-H3C-13-H2C-13-N
  372801.8268  0.0163 -4.8850 3  950.2352161  58516 30380 675      80 576        C-13-H3C-13-H2C-13-N
  372831.8985  0.0014 -3.1869 3  587.0723 87  58516 303432122      422121        C-13-H3C-13-H2C-13-N
  372831.8985  0.0014 -3.1869 3  587.0723 87  58516 303432123      422122        C-13-H3C-13-H2C-13-N
  372933.9135  0.0031 -5.2288 3  129.2912 31  58516 3031512 3      1611 6        C-13-H3C-13-H2C-13-N
  372933.9135  0.0031 -5.2288 3  129.2912 31  58516 3031512 4      1611 5        C-13-H3C-13-H2C-13-N
  372940.5650  0.0017 -3.9362 3  445.9153105  58516 30352 943      52 844        C-13-H3C-13-H2C-13-N
  372975.0720  0.0014 -3.2657 3  618.5850 87  58516 303432221      422220        C-13-H3C-13-H2C-13-N
  372975.0720  0.0014 -3.2657 3  618.5850 87  58516 303432222      422221        C-13-H3C-13-H2C-13-N
  373014.6413  0.0072 -5.7085 3  172.3686 69  58516 30334 430      34 233        C-13-H3C-13-H2C-13-N
  373082.1396  0.0017 -3.9359 3  445.9103105  58516 30352 944      52 845        C-13-H3C-13-H2C-13-N
  373090.3941  0.0158 -5.5640 3  827.0343151  58516 30375 471      75 472        C-13-H3C-13-H2C-13-N
  373110.2538  0.0617 -6.1212 3 1653.2257211  58516 303A5 897      A5 798        C-13-H3C-13-H2C-13-N
  373127.7820  0.0015 -3.3484 3  651.4998 87  58516 303432320      422319        C-13-H3C-13-H2C-13-N
  373127.7820  0.0015 -3.3484 3  651.4998 87  58516 303432321      422320        C-13-H3C-13-H2C-13-N
  373136.0518  0.0011 -2.4764 3  297.4891 87  58516 30343 737      42 736        C-13-H3C-13-H2C-13-N
  373179.5784  0.0011 -2.4763 3  297.4931 87  58516 30343 736      42 735        C-13-H3C-13-H2C-13-N
  373184.2301  0.0212 -5.8431 3 1205.6767179  58516 30389 981      881078        C-13-H3C-13-H2C-13-N
  373263.0691  0.0158 -4.7273 3  827.0285151  58516 30375 471      75 372        C-13-H3C-13-H2C-13-N
  373275.9505  0.0019 -3.7541 3   66.8345 41  58516 30320 516      19 415        C-13-H3C-13-H2C-13-N
  373276.3206  0.0192 -5.3377 3  604.1190131  58516 30365 263      65 264        C-13-H3C-13-H2C-13-N
  373278.9342  0.0192 -4.5693 3  604.1190131  58516 30365 263      65 164        C-13-H3C-13-H2C-13-N
  373280.4594  0.0031 -3.8374 3  116.9174 57  58516 30328 425      27 324        C-13-H3C-13-H2C-13-N
  373289.5596  0.0016 -3.4353 3  685.8083 87  58516 303432419      422418        C-13-H3C-13-H2C-13-N
  373289.5596  0.0016 -3.4353 3  685.8083 87  58516 303432420      422419        C-13-H3C-13-H2C-13-N
  373351.9973  0.0192 -4.5692 3  604.1190131  58516 30365 363      65 264        C-13-H3C-13-H2C-13-N
  373354.6110  0.0192 -5.3375 3  604.1190131  58516 30365 363      65 164        C-13-H3C-13-H2C-13-N
  373458.1284  0.0030 -6.2430 3   21.9908 25  58516 30312 4 9      11 210        C-13-H3C-13-H2C-13-N
  373460.0140  0.0017 -3.5263 3  721.5016 87  58516 303432518      422517        C-13-H3C-13-H2C-13-N
  373460.0140  0.0017 -3.5263 3  721.5016 87  58516 303432519      422518        C-13-H3C-13-H2C-13-N
  373489.3250  0.0017 -3.9139 3  430.8680103  58516 30351 942      51 843        C-13-H3C-13-H2C-13-N
  373576.1673  0.0020 -3.7535 3   66.8250 41  58516 30320 515      19 416        C-13-H3C-13-H2C-13-N
  373595.0779  0.0017 -3.9136 3  430.8642103  58516 30351 943      51 844        C-13-H3C-13-H2C-13-N
  373638.8141  0.0019 -3.6215 3  758.5710 87  58516 303432617      422616        C-13-H3C-13-H2C-13-N
  373638.8141  0.0019 -3.6215 3  758.5710 87  58516 303432618      422617        C-13-H3C-13-H2C-13-N
  373649.0091  0.0030 -4.8820 3  173.7916 41  58516 3032013 7      211210        C-13-H3C-13-H2C-13-N
  373649.0091  0.0030 -4.8820 3  173.7916 41  58516 3032013 8      2112 9        C-13-H3C-13-H2C-13-N
  373702.0966  0.0011 -2.4522 3  288.0207 87  58516 30343 638      42 637        C-13-H3C-13-H2C-13-N
  373715.2402  0.0160 -5.7607 3  950.2047161  58516 30380 675      80 476        C-13-H3C-13-H2C-13-N
  373749.3666  0.0143 -5.0716 3 1117.7279171  58516 303851075      85 976        C-13-H3C-13-H2C-13-N
  373760.8630  0.0162 -6.0034 3 1081.0030171  58516 30385 779      85 580        C-13-H3C-13-H2C-13-N
  373767.2246  0.0011 -2.4329 3  280.0554 87  58516 30343 539      42 538        C-13-H3C-13-H2C-13-N
  373825.6754  0.0022 -3.7212 3  797.0072 87  58516 303432716      422715        C-13-H3C-13-H2C-13-N
  373825.6754  0.0022 -3.7212 3  797.0072 87  58516 303432717      422716        C-13-H3C-13-H2C-13-N
  373997.9562  0.0017 -3.8924 3  416.1117101  58516 30350 941      50 842        C-13-H3C-13-H2C-13-N
  374020.3498  0.0026 -3.8256 3  836.8010 87  58516 303432815      422814        C-13-H3C-13-H2C-13-N
  374020.3498  0.0026 -3.8256 3  836.8010 87  58516 303432816      422815        C-13-H3C-13-H2C-13-N
  374076.4029  0.0017 -3.8922 3  416.1089101  58516 30350 942      50 843        C-13-H3C-13-H2C-13-N
  374217.7421  0.0011 -2.4512 3  288.0784 87  58516 30343 637      42 636        C-13-H3C-13-H2C-13-N
  374222.6182  0.0031 -3.9347 3  877.9426 87  58516 303432914      422913        C-13-H3C-13-H2C-13-N
  374222.6182  0.0031 -3.9347 3  877.9426 87  58516 303432915      422914        C-13-H3C-13-H2C-13-N
  374286.3090  0.0028 -4.7487 3  226.9854 51  58516 303251411      261314        C-13-H3C-13-H2C-13-N
  374286.3090  0.0028 -4.7487 3  226.9854 51  58516 303251412      261313        C-13-H3C-13-H2C-13-N
  374417.1797  0.0192 -5.4924 3 1338.4909189  58516 30394 986      94 887        C-13-H3C-13-H2C-13-N
  374432.2843  0.0036 -4.0489 3  920.4224 87  58516 303433013      423012        C-13-H3C-13-H2C-13-N
  374432.2843  0.0036 -4.0489 3  920.4224 87  58516 303433014      423013        C-13-H3C-13-H2C-13-N
  374469.3008  0.0016 -3.8718 3  401.6463 99  58516 30349 940      49 841        C-13-H3C-13-H2C-13-N
  374527.0752  0.0016 -3.8717 3  401.6443 99  58516 30349 941      49 842        C-13-H3C-13-H2C-13-N
  374649.1707  0.0043 -4.1685 3  964.2304 87  58516 303433112      423111        C-13-H3C-13-H2C-13-N
  374649.1707  0.0043 -4.1685 3  964.2304 87  58516 303433113      423112        C-13-H3C-13-H2C-13-N
  374672.9016  0.0012 -3.6364 3  266.0688 87  58516 30343 341      42 240        C-13-H3C-13-H2C-13-N
  374752.8094  0.0378 -5.4336 3  521.2916123  58516 30361 160      61 161        C-13-H3C-13-H2C-13-N
  374752.9203  0.0378 -4.6957 3  521.2916123  58516 30361 160      61 061        C-13-H3C-13-H2C-13-N
  374759.5256  0.0378 -4.6957 3  521.2916123  58516 30361 260      61 161        C-13-H3C-13-H2C-13-N
  374759.6364  0.0378 -5.4336 3  521.2916123  58516 30361 260      61 061        C-13-H3C-13-H2C-13-N
  374854.0644  0.0026 -4.7117 3  288.8693 61  58516 303301515      311418        C-13-H3C-13-H2C-13-N
  374854.0644  0.0026 -4.7117 3  288.8693 61  58516 303301516      311417        C-13-H3C-13-H2C-13-N
  374873.1149  0.0052 -4.2939 3 1009.3565 87  58516 303433211      423210        C-13-H3C-13-H2C-13-N
  374873.1149  0.0052 -4.2939 3 1009.3565 87  58516 303433212      423211        C-13-H3C-13-H2C-13-N
  374905.9041  0.0016 -3.8520 3  387.4716 97  58516 30348 939      48 840        C-13-H3C-13-H2C-13-N
  374948.1388  0.0016 -3.8519 3  387.4702 97  58516 30348 940      48 841        C-13-H3C-13-H2C-13-N
  374959.3693  0.0035 -5.0462 3   81.4650 49  58516 30324 321      23 122        C-13-H3C-13-H2C-13-N
  375024.0730  0.0203 -5.3455 3 1245.7031183  58516 30391 884      91 785        C-13-H3C-13-H2C-13-N
  375103.9669  0.0065 -4.4257 3 1055.7903 87  58516 303433310      4233 9        C-13-H3C-13-H2C-13-N
  375103.9669  0.0065 -4.4257 3 1055.7903 87  58516 303433311      423310        C-13-H3C-13-H2C-13-N
  375162.6205  0.0011 -2.4136 3  278.5666 89  58516 30344 342      43 341        C-13-H3C-13-H2C-13-N
  375259.7210  0.0137 -5.4112 3  711.6290141  58516 30370 367      70 368        C-13-H3C-13-H2C-13-N
  375267.1224  0.0038 -5.3491 3  275.5032 85  58516 30342 637      42 438        C-13-H3C-13-H2C-13-N
  375285.1113  0.0137 -4.6103 3  711.6281141  58516 30370 367      70 268        C-13-H3C-13-H2C-13-N
  375310.0588  0.0016 -3.8332 3  373.5876 95  58516 30347 938      47 839        C-13-H3C-13-H2C-13-N
  375340.6972  0.0016 -3.8331 3  373.5866 95  58516 30347 939      47 840        C-13-H3C-13-H2C-13-N
  375341.5870  0.0085 -4.5647 3 1103.5213 87  58516 3034334 9      4234 8        C-13-H3C-13-H2C-13-N
  375341.5870  0.0085 -4.5647 3 1103.5213 87  58516 303433410      4234 9        C-13-H3C-13-H2C-13-N
  375361.5327  0.0026 -4.7343 3  359.4392 71  58516 303351619      361522        C-13-H3C-13-H2C-13-N
  375361.5327  0.0026 -4.7343 3  359.4392 71  58516 303351620      361521        C-13-H3C-13-H2C-13-N
  375376.9978  0.0154 -4.7227 3  827.0343151  58516 30375 571      75 472        C-13-H3C-13-H2C-13-N
  375431.9299  0.0022 -3.7218 3   48.9482 31  58516 30315 610      14 5 9        C-13-H3C-13-H2C-13-N
  375432.3492  0.0022 -3.7218 3   48.9482 31  58516 30315 6 9      14 510        C-13-H3C-13-H2C-13-N
  375544.5241  0.0038 -5.4282 3  178.3008 69  58516 30334 529      34 332        C-13-H3C-13-H2C-13-N
  375549.6727  0.0154 -5.5588 3  827.0285151  58516 30375 571      75 372        C-13-H3C-13-H2C-13-N
  375585.8443  0.0115 -4.7118 3 1152.5390 87  58516 3034335 8      4235 7        C-13-H3C-13-H2C-13-N
  375585.8443  0.0115 -4.7118 3 1152.5390 87  58516 3034335 9      4235 8        C-13-H3C-13-H2C-13-N
  375683.8426  0.0016 -3.8152 3  359.9942 93  58516 30346 937      46 838        C-13-H3C-13-H2C-13-N
  375684.1354  0.0030 -6.1334 3   25.6724 27  58516 30313 4 9      12 210        C-13-H3C-13-H2C-13-N
  375705.8924  0.0016 -3.8152 3  359.9934 93  58516 30346 938      46 839        C-13-H3C-13-H2C-13-N
  375731.9840  0.0137 -4.6093 3  711.6290141  58516 30370 467      70 368        C-13-H3C-13-H2C-13-N
  375736.3280  0.0070 -5.0287 3  172.2778 69  58516 30334 430      34 133        C-13-H3C-13-H2C-13-N
  375757.3743  0.0137 -5.4101 3  711.6281141  58516 30370 467      70 268        C-13-H3C-13-H2C-13-N
  375818.4544  0.0028 -4.8004 3  438.6896 81  58516 303401723      411626        C-13-H3C-13-H2C-13-N
  375818.4544  0.0028 -4.8004 3  438.6896 81  58516 303401724      411625        C-13-H3C-13-H2C-13-N
  375836.6153  0.0159 -4.8684 3 1202.8325 87  58516 3034336 7      4236 6        C-13-H3C-13-H2C-13-N
  375836.6153  0.0159 -4.8684 3 1202.8325 87  58516 3034336 8      4236 7        C-13-H3C-13-H2C-13-N
  375880.7301  0.0187 -5.1192 3 1105.6307173  58516 30386 780      86 681        C-13-H3C-13-H2C-13-N
  375956.2361  0.0201 -6.0921 3 1351.4825189  58516 303941085      931182        C-13-H3C-13-H2C-13-N
  376029.1504  0.0016 -3.7981 3  346.6912 91  58516 30345 936      45 837        C-13-H3C-13-H2C-13-N
  376044.8885  0.0016 -3.7981 3  346.6906 91  58516 30345 937      45 838        C-13-H3C-13-H2C-13-N
  376093.7828  0.0220 -5.0367 3 1254.3910 87  58516 3034337 6      4237 5        C-13-H3C-13-H2C-13-N
  376093.7828  0.0220 -5.0367 3 1254.3910 87  58516 3034337 7      4237 6        C-13-H3C-13-H2C-13-N
  376224.4884  0.0011 -2.4107 3  278.3510 89  58516 30344 242      43 241        C-13-H3C-13-H2C-13-N
  376234.7196  0.0031 -4.9016 3  526.6141 91  58516 303451827      461730        C-13-H3C-13-H2C-13-N
  376234.7196  0.0031 -4.9016 3  526.6141 91  58516 303451828      461729        C-13-H3C-13-H2C-13-N
  376236.7952  0.0488 -6.0125 3 1623.2047207  58516 303A31192      A31093        C-13-H3C-13-H2C-13-N
  376296.8149  0.0115 -6.1091 3 1092.5118171  58516 30385 878      85 679        C-13-H3C-13-H2C-13-N
  376347.7213  0.0016 -3.7819 3  333.6785 89  58516 30344 935      44 836        C-13-H3C-13-H2C-13-N
  376357.2355  0.0304 -5.2199 3 1307.2034 87  58516 3034338 5      4238 4        C-13-H3C-13-H2C-13-N
  376357.2355  0.0304 -5.2199 3 1307.2034 87  58516 3034338 6      4238 5        C-13-H3C-13-H2C-13-N
  376358.8583  0.0016 -3.7819 3  333.6781 89  58516 30344 936      44 837        C-13-H3C-13-H2C-13-N
  376546.6553  0.0113 -6.0781 3 1067.9491169  58516 30384 877      84 678        C-13-H3C-13-H2C-13-N
  376620.1535  0.0032 -5.0331 3  623.2050101  58516 303501931      511834        C-13-H3C-13-H2C-13-N
  376620.1535  0.0032 -5.0331 3  623.2050101  58516 303501932      511833        C-13-H3C-13-H2C-13-N
  376626.8672  0.0415 -5.4234 3 1361.2585 87  58516 3034339 4      4239 3        C-13-H3C-13-H2C-13-N
  376626.8672  0.0415 -5.4234 3 1361.2585 87  58516 3034339 5      4239 4        C-13-H3C-13-H2C-13-N
  376641.1611  0.0015 -3.7666 3  320.9560 87  58516 30343 934      43 835        C-13-H3C-13-H2C-13-N
  376648.9720  0.0015 -3.7666 3  320.9558 87  58516 30343 935      43 836        C-13-H3C-13-H2C-13-N
  376699.5414  0.0119 -6.1411 3 1117.3315173  58516 30386 879      86 680        C-13-H3C-13-H2C-13-N
  376726.0446  0.0013 -3.5091 3  283.1723 91  58516 30345 144      44 243        C-13-H3C-13-H2C-13-N
  376737.9005  0.0024 -3.7035 3   39.8209 21  58516 30310 7 3       9 6 4        C-13-H3C-13-H2C-13-N
  376737.9005  0.0024 -3.7035 3   39.8209 21  58516 30310 7 4       9 6 3        C-13-H3C-13-H2C-13-N
  376808.1284  0.0012 -2.4052 3  271.4932 87  58516 30343 340      42 339        C-13-H3C-13-H2C-13-N
  376902.5762  0.0560 -5.6577 3 1416.5450 87  58516 3034340 3      4240 2        C-13-H3C-13-H2C-13-N
  376902.5762  0.0560 -5.6577 3 1416.5450 87  58516 3034340 4      4240 3        C-13-H3C-13-H2C-13-N
  376910.9617  0.0015 -3.7523 3  308.5238 85  58516 30342 933      42 834        C-13-H3C-13-H2C-13-N
  376916.3889  0.0015 -3.7523 3  308.5236 85  58516 30342 934      42 835        C-13-H3C-13-H2C-13-N
  376984.3778  0.0032 -5.1917 3  728.4538111  58516 303552035      561938        C-13-H3C-13-H2C-13-N
  376984.3778  0.0032 -5.1917 3  728.4538111  58516 303552036      561937        C-13-H3C-13-H2C-13-N
  376991.2106  0.0013 -2.4082 3  283.1723 91  58516 30345 244      44 243        C-13-H3C-13-H2C-13-N
  377056.8508  0.0013 -2.4080 3  283.1613 91  58516 30345 144      44 143        C-13-H3C-13-H2C-13-N
  377158.5163  0.0015 -3.7389 3  296.3816 83  58516 30341 932      41 833        C-13-H3C-13-H2C-13-N
  377162.2508  0.0015 -3.7388 3  296.3815 83  58516 30341 933      41 834        C-13-H3C-13-H2C-13-N
  377167.6118  0.0011 -2.4261 3  280.5846 87  58516 30343 538      42 537        C-13-H3C-13-H2C-13-N
  377184.2654  0.0746 -5.9456 3 1473.0515 87  58516 3034341 2      4241 1        C-13-H3C-13-H2C-13-N
  377184.2654  0.0746 -5.9456 3 1473.0515 87  58516 3034341 3      4241 2        C-13-H3C-13-H2C-13-N
  377322.0168  0.0013 -3.5077 3  283.1613 91  58516 30345 244      44 143        C-13-H3C-13-H2C-13-N
  377336.7174  0.0044 -5.3753 3  842.3510121  58516 303602139      612042        C-13-H3C-13-H2C-13-N
  377336.7174  0.0044 -5.3753 3  842.3510121  58516 303602140      612041        C-13-H3C-13-H2C-13-N
  377385.1333  0.0015 -3.7264 3  284.5295 81  58516 30340 931      40 832        C-13-H3C-13-H2C-13-N
  377387.6770  0.0015 -3.7264 3  284.5294 81  58516 30340 932      40 833        C-13-H3C-13-H2C-13-N
  377388.2984  0.0053 -5.4882 3  571.2040123  58516 30361 755      61 556        C-13-H3C-13-H2C-13-N
  377451.4562  0.0021 -3.8445 3   93.3933 51  58516 30325 421      24 322        C-13-H3C-13-H2C-13-N
  377477.0121  0.0113 -6.0479 3 1043.6434167  58516 30383 876      83 677        C-13-H3C-13-H2C-13-N
  377579.9169  0.0129 -5.0190 3 1093.0251169  58516 303841074      84 975        C-13-H3C-13-H2C-13-N
  377592.0465  0.0015 -3.7149 3  272.9673 79  58516 30339 930      39 831        C-13-H3C-13-H2C-13-N
  377593.7607  0.0015 -3.7148 3  272.9672 79  58516 30339 931      39 832        C-13-H3C-13-H2C-13-N
  377686.1347  0.0090 -5.5826 3  964.8858131  58516 303652243      662146        C-13-H3C-13-H2C-13-N
  377686.1347  0.0090 -5.5826 3  964.8858131  58516 303652244      662145        C-13-H3C-13-H2C-13-N
  377711.5399  0.0201 -5.5392 3 1365.7937191  58516 30395 987      95 888        C-13-H3C-13-H2C-13-N
  377722.0189  0.0125 -6.1739 3 1142.4083175  58516 30387 880      87 681        C-13-H3C-13-H2C-13-N
  377739.3438  0.0032 -3.8329 3  125.1700 59  58516 30329 426      28 325        C-13-H3C-13-H2C-13-N
  377780.4242  0.0015 -3.7043 3  261.6950 77  58516 30338 929      38 830        C-13-H3C-13-H2C-13-N
  377781.5665  0.0015 -3.7043 3  261.6949 77  58516 30338 930      38 831        C-13-H3C-13-H2C-13-N
  377951.3766  0.0015 -3.6948 3  250.7124 75  58516 30337 928      37 829        C-13-H3C-13-H2C-13-N
  377952.1290  0.0015 -3.6948 3  250.7124 75  58516 30337 929      37 830        C-13-H3C-13-H2C-13-N
  378041.1810  0.0177 -5.8122 3 1096.0468141  58516 303702347      712250        C-13-H3C-13-H2C-13-N
  378041.1810  0.0177 -5.8122 3 1096.0468141  58516 303702348      712249        C-13-H3C-13-H2C-13-N
  378105.9618  0.0015 -3.6863 3  240.0197 73  58516 30336 927      36 828        C-13-H3C-13-H2C-13-N
  378106.4512  0.0015 -3.6863 3  240.0197 73  58516 30336 928      36 829        C-13-H3C-13-H2C-13-N
  378166.3778  0.0280 -6.1759 3 1180.7207179  58516 30389 683      89 684        C-13-H3C-13-H2C-13-N
  378245.1907  0.0014 -3.6788 3  229.6166 71  58516 30335 926      35 827        C-13-H3C-13-H2C-13-N
  378245.5050  0.0014 -3.6788 3  229.6166 71  58516 30335 927      35 828        C-13-H3C-13-H2C-13-N
  378259.5709  0.0020 -3.8639 3  324.4125 95  58516 30347 344      46 443        C-13-H3C-13-H2C-13-N
  378370.0313  0.0014 -3.6725 3  219.5032 69  58516 30334 925      34 826        C-13-H3C-13-H2C-13-N
  378370.2303  0.0014 -3.6725 3  219.5032 69  58516 30334 926      34 827        C-13-H3C-13-H2C-13-N
  378409.9565  0.0316 -6.0636 3 1235.8215151  58516 303752451      762354        C-13-H3C-13-H2C-13-N
  378409.9565  0.0316 -6.0636 3 1235.8215151  58516 303752452      762353        C-13-H3C-13-H2C-13-N
  378481.4115  0.0015 -3.6672 3  209.6794 67  58516 30333 924      33 825        C-13-H3C-13-H2C-13-N
  378481.5357  0.0015 -3.6672 3  209.6794 67  58516 30333 925      33 826        C-13-H3C-13-H2C-13-N
  378580.2223  0.0015 -3.6632 3  200.1450 65  58516 30332 923      32 824        C-13-H3C-13-H2C-13-N
  378580.2986  0.0015 -3.6632 3  200.1450 65  58516 30332 924      32 825        C-13-H3C-13-H2C-13-N
  378617.4614  0.0020 -3.4161 3  286.7056 93  58516 30346 046      45 145        C-13-H3C-13-H2C-13-N
  378622.3702  0.0020 -2.4011 3  286.7056 93  58516 30346 146      45 145        C-13-H3C-13-H2C-13-N
  378623.7652  0.0020 -2.4011 3  286.7054 93  58516 30346 046      45 045        C-13-H3C-13-H2C-13-N
  378628.6739  0.0020 -3.4161 3  286.7054 93  58516 30346 146      45 045        C-13-H3C-13-H2C-13-N
  378667.3199  0.0015 -3.6603 3  190.9002 63  58516 30331 922      31 823        C-13-H3C-13-H2C-13-N
  378667.3661  0.0015 -3.6603 3  190.9002 63  58516 30331 923      31 824        C-13-H3C-13-H2C-13-N
  378743.5278  0.0015 -3.6587 3  181.9447 61  58516 30330 921      30 822        C-13-H3C-13-H2C-13-N
  378743.5552  0.0015 -3.6587 3  181.9447 61  58516 30330 922      30 823        C-13-H3C-13-H2C-13-N
  378809.6378  0.0015 -3.6583 3  173.2787 59  58516 30329 920      29 821        C-13-H3C-13-H2C-13-N
  378809.6537  0.0015 -3.6583 3  173.2787 59  58516 30329 921      29 822        C-13-H3C-13-H2C-13-N
  378847.2865  0.0012 -3.6418 3  291.0807 91  58516 30345 243      44 342        C-13-H3C-13-H2C-13-N
  378866.4117  0.0016 -3.6594 3  164.9019 57  58516 30328 919      28 820        C-13-H3C-13-H2C-13-N
  378866.4209  0.0016 -3.6594 3  164.9019 57  58516 30328 920      28 821        C-13-H3C-13-H2C-13-N
  378914.5825  0.0016 -3.6620 3  156.8145 55  58516 30327 918      27 819        C-13-H3C-13-H2C-13-N
  378914.5876  0.0016 -3.6620 3  156.8145 55  58516 30327 919      27 820        C-13-H3C-13-H2C-13-N
  378954.8548  0.0016 -3.6661 3  149.0162 53  58516 30326 917      26 818        C-13-H3C-13-H2C-13-N
  378954.8576  0.0016 -3.6661 3  149.0162 53  58516 30326 918      26 819        C-13-H3C-13-H2C-13-N
  378987.3794  0.0026 -4.5889 3   60.6638 19  58516 303 9 9 0       9 8 1        C-13-H3C-13-H2C-13-N
  378987.3794  0.0026 -4.5889 3   60.6638 19  58516 303 9 9 1       9 8 2        C-13-H3C-13-H2C-13-N
  378987.9058  0.0017 -3.6718 3  141.5072 51  58516 30325 916      25 817        C-13-H3C-13-H2C-13-N
  378987.9073  0.0017 -3.6718 3  141.5072 51  58516 30325 917      25 818        C-13-H3C-13-H2C-13-N
  378998.6625  0.0025 -4.3137 3   63.5504 21  58516 30310 9 1      10 8 2        C-13-H3C-13-H2C-13-N
  378998.6625  0.0025 -4.3137 3   63.5504 21  58516 30310 9 2      10 8 3        C-13-H3C-13-H2C-13-N
  379010.1061  0.0025 -4.1613 3   66.7256 23  58516 30311 9 2      11 8 3        C-13-H3C-13-H2C-13-N
  379010.1061  0.0025 -4.1613 3   66.7256 23  58516 30311 9 3      11 8 4        C-13-H3C-13-H2C-13-N
  379014.3861  0.0017 -3.6794 3  134.2873 49  58516 30324 915      24 816        C-13-H3C-13-H2C-13-N
  379014.3868  0.0017 -3.6794 3  134.2873 49  58516 30324 916      24 817        C-13-H3C-13-H2C-13-N
  379021.4347  0.0024 -4.0583 3   70.1896 25  58516 30312 9 3      12 8 4        C-13-H3C-13-H2C-13-N
  379021.4347  0.0024 -4.0583 3   70.1896 25  58516 30312 9 4      12 8 5        C-13-H3C-13-H2C-13-N
  379032.3478  0.0024 -3.9821 3   73.9423 27  58516 30313 9 4      13 8 5        C-13-H3C-13-H2C-13-N
  379032.3478  0.0024 -3.9821 3   73.9423 27  58516 30313 9 5      13 8 6        C-13-H3C-13-H2C-13-N
  379034.9197  0.0018 -3.6889 3  127.3566 47  58516 30323 914      23 815        C-13-H3C-13-H2C-13-N
  379034.9201  0.0018 -3.6889 3  127.3566 47  58516 30323 915      23 816        C-13-H3C-13-H2C-13-N
  379042.5203  0.0023 -3.9227 3   77.9838 29  58516 30314 9 5      14 8 6        C-13-H3C-13-H2C-13-N
  379042.5203  0.0023 -3.9227 3   77.9838 29  58516 30314 9 6      14 8 7        C-13-H3C-13-H2C-13-N
  379050.1051  0.0018 -3.7006 3  120.7149 45  58516 30322 913      22 814        C-13-H3C-13-H2C-13-N
  379050.1053  0.0018 -3.7006 3  120.7149 45  58516 30322 914      22 815        C-13-H3C-13-H2C-13-N
  379051.6025  0.0022 -3.8748 3   82.3141 31  58516 30315 9 6      15 8 7        C-13-H3C-13-H2C-13-N
  379051.6025  0.0022 -3.8748 3   82.3141 31  58516 30315 9 7      15 8 8        C-13-H3C-13-H2C-13-N
  379059.2201  0.0022 -3.8354 3   86.9332 33  58516 30316 9 7      16 8 8        C-13-H3C-13-H2C-13-N
  379059.2201  0.0022 -3.8354 3   86.9332 33  58516 30316 9 8      16 8 9        C-13-H3C-13-H2C-13-N
  379060.5149  0.0019 -3.7147 3  114.3622 43  58516 30321 912      21 813        C-13-H3C-13-H2C-13-N
  379060.5150  0.0019 -3.7147 3  114.3622 43  58516 30321 913      21 814        C-13-H3C-13-H2C-13-N
  379064.9742  0.0021 -3.8025 3   91.8412 35  58516 30317 9 8      17 8 9        C-13-H3C-13-H2C-13-N
  379064.9742  0.0021 -3.8025 3   91.8412 35  58516 30317 9 9      17 810        C-13-H3C-13-H2C-13-N
  379066.6967  0.0019 -3.7314 3  108.2985 41  58516 30320 911      20 812        C-13-H3C-13-H2C-13-N
  379066.6967  0.0019 -3.7314 3  108.2985 41  58516 30320 912      20 813        C-13-H3C-13-H2C-13-N
  379068.4411  0.0021 -3.7748 3   97.0381 37  58516 30318 9 9      18 810        C-13-H3C-13-H2C-13-N
  379068.4411  0.0021 -3.7748 3   97.0381 37  58516 30318 910      18 811        C-13-H3C-13-H2C-13-N
  379069.1729  0.0020 -3.7513 3  102.5238 39  58516 30319 910      19 811        C-13-H3C-13-H2C-13-N
  379069.1729  0.0020 -3.7513 3  102.5238 39  58516 30319 911      19 812        C-13-H3C-13-H2C-13-N
  379109.6522  0.0114 -6.0187 3 1019.5948165  58516 30382 875      82 676        C-13-H3C-13-H2C-13-N
  379213.2997  0.0177 -6.0362 3 1105.5195173  58516 30386 780      86 581        C-13-H3C-13-H2C-13-N
  379258.2892  0.0207 -5.6603 3 1130.0827173  58516 30386 977      851076        C-13-H3C-13-H2C-13-N
  379298.8111  0.0174 -4.9178 3  973.1748163  58516 30381 676      81 577        C-13-H3C-13-H2C-13-N
  379327.8716  0.0134 -6.2076 3 1167.7427177  58516 30388 881      88 682        C-13-H3C-13-H2C-13-N
  379329.3548  0.0200 -5.8362 3  996.3819165  58516 30382 577      82 578        C-13-H3C-13-H2C-13-N
  379361.7508  0.0046 -5.8424 3   43.4660 37  58516 30318 316      17 117        C-13-H3C-13-H2C-13-N
  379612.8917  0.0040 -5.4240 3  188.3359 71  58516 30335 530      35 333        C-13-H3C-13-H2C-13-N
  379769.8537  0.0203 -5.3602 3  622.3754133  58516 30366 264      66 265        C-13-H3C-13-H2C-13-N
  379771.9163  0.0203 -4.5924 3  622.3753133  58516 30366 264      66 165        C-13-H3C-13-H2C-13-N
  379830.7630  0.0203 -4.5923 3  622.3754133  58516 30366 364      66 265        C-13-H3C-13-H2C-13-N
  379832.8256  0.0203 -5.3600 3  622.3753133  58516 30366 364      66 165        C-13-H3C-13-H2C-13-N
  379840.5992  0.0170 -5.3245 3  950.8885159  58516 30379 871      78 970        C-13-H3C-13-H2C-13-N
  379956.9472  0.0198 -4.9638 3  996.3610165  58516 30382 577      82 478        C-13-H3C-13-H2C-13-N
  380050.1365  0.0168 -5.5907 3  848.4144153  58516 30376 472      76 473        C-13-H3C-13-H2C-13-N
  380056.3357  0.0172 -5.7907 3  973.1495163  58516 30381 676      81 477        C-13-H3C-13-H2C-13-N
  380141.0009  0.0011 -2.4180 3  285.5353 89  58516 30344 441      43 440        C-13-H3C-13-H2C-13-N
  380154.7988  0.0271 -5.2629 3 1180.6544179  58516 30389 683      89 584        C-13-H3C-13-H2C-13-N
  380190.9722  0.0168 -4.7560 3  848.4097153  58516 30376 472      76 373        C-13-H3C-13-H2C-13-N
  380282.7729  0.0217 -5.3874 3 1272.0147185  58516 30392 885      92 786        C-13-H3C-13-H2C-13-N
  380371.3814  0.0012 -2.4059 3  275.5032 87  58516 30343 439      42 438        C-13-H3C-13-H2C-13-N
  380783.2490  0.0011 -2.6880 3  398.7994 89  58516 303441331      431330        C-13-H3C-13-H2C-13-N
  380783.2490  0.0011 -2.6880 3  398.7994 89  58516 303441332      431331        C-13-H3C-13-H2C-13-N
  380791.6554  0.0011 -2.6433 3  380.2512 89  58516 303441232      431231        C-13-H3C-13-H2C-13-N
  380791.6554  0.0011 -2.6433 3  380.2512 89  58516 303441233      431232        C-13-H3C-13-H2C-13-N
  380804.9957  0.0011 -2.7364 3  418.8182 89  58516 303441430      431429        C-13-H3C-13-H2C-13-N
  380804.9957  0.0011 -2.7364 3  418.8182 89  58516 303441431      431430        C-13-H3C-13-H2C-13-N
  380834.6385  0.0388 -5.6600 3 1407.4135195  58516 30397 790      97 691        C-13-H3C-13-H2C-13-N
  380839.0972  0.0011 -2.6021 3  363.1817 89  58516 303441134      431133        C-13-H3C-13-H2C-13-N
  380839.0974  0.0011 -2.6021 3  363.1817 89  58516 303441133      431132        C-13-H3C-13-H2C-13-N
  380850.9515  0.0011 -2.7883 3  440.3001 89  58516 303441529      431528        C-13-H3C-13-H2C-13-N
  380850.9515  0.0011 -2.7883 3  440.3001 89  58516 303441530      431529        C-13-H3C-13-H2C-13-N
  380917.0005  0.0012 -2.8439 3  463.2378 89  58516 303441628      431627        C-13-H3C-13-H2C-13-N
  380917.0005  0.0012 -2.8439 3  463.2378 89  58516 303441629      431628        C-13-H3C-13-H2C-13-N
  380939.4119  0.0011 -2.5644 3  347.6004 89  58516 303441035      431034        C-13-H3C-13-H2C-13-N
  380939.4170  0.0011 -2.5644 3  347.6004 89  58516 303441034      431033        C-13-H3C-13-H2C-13-N
  380955.5839  0.0238 -5.8808 3 1231.4248181  58516 30390 982      891079        C-13-H3C-13-H2C-13-N
  381000.2090  0.0012 -2.9031 3  487.6242 89  58516 303441727      431726        C-13-H3C-13-H2C-13-N
  381000.2090  0.0012 -2.9031 3  487.6242 89  58516 303441728      431727        C-13-H3C-13-H2C-13-N
  381098.4320  0.0012 -2.9660 3  513.4519 89  58516 303441826      431825        C-13-H3C-13-H2C-13-N
  381098.4320  0.0012 -2.9660 3  513.4519 89  58516 303441827      431826        C-13-H3C-13-H2C-13-N
  381114.0298  0.0115 -4.9677 3 1068.6243167  58516 303831073      83 974        C-13-H3C-13-H2C-13-N
  381115.2755  0.0011 -2.5302 3  333.5194 89  58516 30344 936      43 935        C-13-H3C-13-H2C-13-N
  381115.4283  0.0011 -2.5302 3  333.5194 89  58516 30344 935      43 934        C-13-H3C-13-H2C-13-N
  381202.3608  0.0398 -5.4540 3  538.2533125  58516 30362 161      62 162        C-13-H3C-13-H2C-13-N
  381202.4468  0.0398 -4.7163 3  538.2533125  58516 30362 161      62 062        C-13-H3C-13-H2C-13-N
  381207.6685  0.0398 -4.7163 3  538.2533125  58516 30362 261      62 162        C-13-H3C-13-H2C-13-N
  381207.7545  0.0398 -5.4540 3  538.2533125  58516 30362 261      62 062        C-13-H3C-13-H2C-13-N
  381210.0653  0.0013 -3.0326 3  540.7136 89  58516 303441925      431924        C-13-H3C-13-H2C-13-N
  381210.0653  0.0013 -3.0326 3  540.7136 89  58516 303441926      431925        C-13-H3C-13-H2C-13-N
  381250.0287  0.0210 -5.5863 3 1393.3668193  58516 30396 988      96 889        C-13-H3C-13-H2C-13-N
  381333.8845  0.0013 -3.1030 3  569.4018 89  58516 303442024      432023        C-13-H3C-13-H2C-13-N
  381333.8845  0.0013 -3.1030 3  569.4018 89  58516 303442025      432024        C-13-H3C-13-H2C-13-N
  381405.3892  0.0011 -2.4994 3  320.9558 89  58516 30344 837      43 836        C-13-H3C-13-H2C-13-N
  381408.8681  0.0011 -2.4994 3  320.9560 89  58516 30344 836      43 835        C-13-H3C-13-H2C-13-N
  381458.9281  0.0116 -5.9904 3  995.8037163  58516 30381 874      81 675        C-13-H3C-13-H2C-13-N
  381468.9366  0.0014 -3.1771 3  599.5086 89  58516 303442123      432122        C-13-H3C-13-H2C-13-N
  381468.9366  0.0014 -3.1771 3  599.5086 89  58516 303442124      432123        C-13-H3C-13-H2C-13-N
  381478.3903  0.0145 -6.2420 3 1193.3350179  58516 30389 882      89 683        C-13-H3C-13-H2C-13-N
  381565.4001  0.0032 -5.3934 3  124.6706 29  58516 3031412 2      1511 5        C-13-H3C-13-H2C-13-N
  381565.4001  0.0032 -5.3934 3  124.6706 29  58516 3031412 3      1511 4        C-13-H3C-13-H2C-13-N
  381614.4665  0.0014 -3.2551 3  631.0261 89  58516 303442222      432221        C-13-H3C-13-H2C-13-N
  381614.4665  0.0014 -3.2551 3  631.0261 89  58516 303442223      432222        C-13-H3C-13-H2C-13-N
  381626.2034  0.0012 -3.6267 3  278.3510 89  58516 30344 342      43 241        C-13-H3C-13-H2C-13-N
  381662.0518  0.0019 -3.7368 3   72.6257 43  58516 30321 517      20 416        C-13-H3C-13-H2C-13-N
  381696.7053  0.0119 -5.6222 3  129.8436 61  58516 30330 327      30 030        C-13-H3C-13-H2C-13-N
  381769.8658  0.0015 -3.3370 3  663.9460 89  58516 303442321      432320        C-13-H3C-13-H2C-13-N
  381769.8658  0.0015 -3.3370 3  663.9460 89  58516 303442322      432321        C-13-H3C-13-H2C-13-N
  381789.2628  0.0038 -5.3544 3  263.1120 83  58516 30341 636      41 437        C-13-H3C-13-H2C-13-N
  381865.4763  0.0011 -2.4720 3  309.9356 89  58516 30344 738      43 737        C-13-H3C-13-H2C-13-N
  381866.7426  0.0034 -3.8287 3  133.7231 61  58516 30330 427      29 326        C-13-H3C-13-H2C-13-N
  381880.4895  0.0146 -5.4361 3  731.4480143  58516 30371 368      71 369        C-13-H3C-13-H2C-13-N
  381900.8615  0.0146 -4.6365 3  731.4473143  58516 30371 368      71 269        C-13-H3C-13-H2C-13-N
  381923.3016  0.0011 -2.4719 3  309.9410 89  58516 30344 737      43 736        C-13-H3C-13-H2C-13-N
  381934.6355  0.0015 -3.4229 3  698.2599 89  58516 303442420      432419        C-13-H3C-13-H2C-13-N
  381934.6355  0.0015 -3.4229 3  698.2599 89  58516 303442421      432420        C-13-H3C-13-H2C-13-N
  381958.4411  0.0165 -4.7522 3  848.4144153  58516 30376 572      76 473        C-13-H3C-13-H2C-13-N
  382041.3646  0.0201 -5.1565 3 1130.3939175  58516 30387 781      87 682        C-13-H3C-13-H2C-13-N
  382099.2769  0.0164 -5.5864 3  848.4097153  58516 30376 572      76 373        C-13-H3C-13-H2C-13-N
  382108.3606  0.0017 -3.5128 3  733.9589 89  58516 303442519      432518        C-13-H3C-13-H2C-13-N
  382108.3606  0.0017 -3.5128 3  733.9589 89  58516 303442520      432519        C-13-H3C-13-H2C-13-N
  382110.9365  0.0019 -3.7361 3   72.6115 43  58516 30321 516      20 417        C-13-H3C-13-H2C-13-N
  382243.3323  0.0449 -5.9446 3 1593.2623205  58516 303A21191      A21092        C-13-H3C-13-H2C-13-N
  382267.4134  0.0146 -4.6357 3  731.4480143  58516 30371 468      71 369        C-13-H3C-13-H2C-13-N
  382270.5881  0.0031 -4.9377 3  167.7263 39  58516 3031913 6      2012 9        C-13-H3C-13-H2C-13-N
  382270.5881  0.0031 -4.9377 3  167.7263 39  58516 3031913 7      2012 8        C-13-H3C-13-H2C-13-N
  382287.7853  0.0146 -5.4353 3  731.4473143  58516 30371 468      71 269        C-13-H3C-13-H2C-13-N
  382290.6899  0.0019 -3.6068 3  771.0343 89  58516 303442618      432617        C-13-H3C-13-H2C-13-N
  382290.6899  0.0019 -3.6068 3  771.0343 89  58516 303442619      432618        C-13-H3C-13-H2C-13-N
  382364.0469  0.0045 -4.4163 3  505.5117117  58516 30358 553      57 652        C-13-H3C-13-H2C-13-N
  382406.7049  0.0011 -2.4291 3  292.5229 89  58516 30344 540      43 539        C-13-H3C-13-H2C-13-N
  382445.2498  0.0011 -2.4480 3  300.4861 89  58516 30344 639      43 638        C-13-H3C-13-H2C-13-N
  382481.3222  0.0022 -3.7051 3  809.4767 89  58516 303442717      432716        C-13-H3C-13-H2C-13-N
  382481.3222  0.0022 -3.7051 3  809.4767 89  58516 303442718      432717        C-13-H3C-13-H2C-13-N
  382641.4080  0.0030 -6.1374 3   25.4398 27  58516 30313 410      12 211        C-13-H3C-13-H2C-13-N
  382679.9952  0.0025 -3.8078 3  849.2770 89  58516 303442816      432815        C-13-H3C-13-H2C-13-N
  382679.9952  0.0025 -3.8078 3  849.2770 89  58516 303442817      432816        C-13-H3C-13-H2C-13-N
  382686.7726  0.0030 -6.0333 3   29.4842 29  58516 30314 410      13 211        C-13-H3C-13-H2C-13-N
  382884.7651  0.0230 -6.0185 3 1324.6011187  58516 303931083      921182        C-13-H3C-13-H2C-13-N
  382886.4777  0.0030 -3.9151 3  890.4254 89  58516 303442915      432914        C-13-H3C-13-H2C-13-N
  382886.4777  0.0030 -3.9151 3  890.4254 89  58516 303442916      432915        C-13-H3C-13-H2C-13-N
  382895.5525  0.0029 -4.7690 3  219.4753 49  58516 303241410      251313        C-13-H3C-13-H2C-13-N
  382895.5525  0.0029 -4.7690 3  219.4753 49  58516 303241411      251312        C-13-H3C-13-H2C-13-N
  383091.7908  0.0011 -2.4467 3  300.5609 89  58516 30344 638      43 637        C-13-H3C-13-H2C-13-N
  383100.5631  0.0035 -4.0272 3  932.9122 89  58516 303443014      433013        C-13-H3C-13-H2C-13-N
  383100.5631  0.0035 -4.0272 3  932.9122 89  58516 303443015      433014        C-13-H3C-13-H2C-13-N
  383162.8931  0.0033 -4.1298 3  402.5796105  58516 30352 448      51 547        C-13-H3C-13-H2C-13-N
  383322.0648  0.0041 -4.1443 3  976.7274 89  58516 303443113      433112        C-13-H3C-13-H2C-13-N
  383322.0648  0.0041 -4.1443 3  976.7274 89  58516 303443114      433113        C-13-H3C-13-H2C-13-N
  383346.2747  0.0011 -2.4114 3  291.0807 91  58516 30345 343      44 342        C-13-H3C-13-H2C-13-N
  383404.4456  0.0115 -5.0059 3  787.0499145  58516 30372 765      71 864        C-13-H3C-13-H2C-13-N
  383423.9812  0.0042 -5.2491 3   43.3305 37  58516 30318 316      17 017        C-13-H3C-13-H2C-13-N
  383448.1366  0.0027 -4.7136 3  279.9147 59  58516 303291514      301417        C-13-H3C-13-H2C-13-N
  383448.1366  0.0027 -4.7136 3  279.9147 59  58516 303291515      301416        C-13-H3C-13-H2C-13-N
  383492.0615  0.0642 -6.1624 3 1683.5194213  58516 303A6 898      A6 799        C-13-H3C-13-H2C-13-N
  383550.8124  0.0050 -4.2668 3 1021.8609 89  58516 303443212      433211        C-13-H3C-13-H2C-13-N
  383550.8124  0.0050 -4.2668 3 1021.8609 89  58516 303443213      433212        C-13-H3C-13-H2C-13-N
  383694.4450  0.0088 -4.8008 3   71.2284 47  58516 30323 221      22 122        C-13-H3C-13-H2C-13-N
  383786.6487  0.0063 -4.3951 3 1068.3024 89  58516 303443311      433310        C-13-H3C-13-H2C-13-N
  383786.6487  0.0063 -4.3951 3 1068.3024 89  58516 303443312      433311        C-13-H3C-13-H2C-13-N
  383937.3224  0.0026 -4.7243 3  349.0405 69  58516 303341618      351521        C-13-H3C-13-H2C-13-N
  383937.3224  0.0026 -4.7243 3  349.0405 69  58516 303341619      351520        C-13-H3C-13-H2C-13-N
  384029.4277  0.0083 -4.5298 3 1116.0414 89  58516 303443410      4334 9        C-13-H3C-13-H2C-13-N
  384029.4277  0.0083 -4.5298 3 1116.0414 89  58516 303443411      433410        C-13-H3C-13-H2C-13-N
  384059.2889  0.0022 -3.6997 3   53.2804 33  58516 30316 611      15 510        C-13-H3C-13-H2C-13-N
  384060.1276  0.0022 -3.6997 3   53.2803 33  58516 30316 610      15 511        C-13-H3C-13-H2C-13-N
  384249.0015  0.0011 -2.4090 3  290.9005 91  58516 30345 243      44 242        C-13-H3C-13-H2C-13-N
  384270.4068  0.0042 -5.4232 3  198.6489 73  58516 30336 531      36 334        C-13-H3C-13-H2C-13-N
  384279.0126  0.0113 -4.6716 3 1165.0672 89  58516 3034435 9      4335 8        C-13-H3C-13-H2C-13-N
  384279.0126  0.0113 -4.6716 3 1165.0672 89  58516 303443510      4335 9        C-13-H3C-13-H2C-13-N
  384366.7575  0.0104 -4.9177 3 1044.5244165  58516 303821072      82 973        C-13-H3C-13-H2C-13-N
  384372.6785  0.0028 -4.7817 3  426.8476 79  58516 303391722      401625        C-13-H3C-13-H2C-13-N
  384372.6785  0.0028 -4.7817 3  426.8476 79  58516 303391723      401624        C-13-H3C-13-H2C-13-N
  384530.7290  0.0118 -5.9630 3  972.2708161  58516 30380 873      80 674        C-13-H3C-13-H2C-13-N
  384535.2748  0.0157 -4.8215 3 1215.3691 89  58516 3034436 8      4336 7        C-13-H3C-13-H2C-13-N
  384535.2748  0.0157 -4.8215 3 1215.3691 89  58516 3034436 9      4336 8        C-13-H3C-13-H2C-13-N
  384553.8005  0.0053 -5.4777 3  553.2779121  58516 30360 754      60 555        C-13-H3C-13-H2C-13-N
  384764.0002  0.0031 -4.8760 3  513.3296 89  58516 303441826      451729        C-13-H3C-13-H2C-13-N
  384764.0002  0.0031 -4.8760 3  513.3296 89  58516 303441827      451728        C-13-H3C-13-H2C-13-N
  384798.0922  0.0219 -4.9809 3 1266.9361 89  58516 3034437 7      4337 6        C-13-H3C-13-H2C-13-N
  384798.0922  0.0219 -4.9809 3 1266.9361 89  58516 3034437 8      4337 7        C-13-H3C-13-H2C-13-N
  384850.6685  0.0192 -6.0698 3 1130.3002175  58516 30387 781      87 582        C-13-H3C-13-H2C-13-N
  384912.3492  0.0013 -3.5041 3  295.7474 93  58516 30346 145      45 244        C-13-H3C-13-H2C-13-N
  384926.2898  0.0012 -2.4032 3  284.0622 89  58516 30344 341      43 340        C-13-H3C-13-H2C-13-N
  385027.2290  0.0219 -5.6337 3 1421.2096195  58516 30397 989      97 890        C-13-H3C-13-H2C-13-N
  385067.3490  0.0304 -5.1519 3 1319.7573 89  58516 3034438 6      4338 5        C-13-H3C-13-H2C-13-N
  385067.3490  0.0304 -5.1519 3 1319.7573 89  58516 3034438 7      4338 6        C-13-H3C-13-H2C-13-N
  385121.0768  0.0032 -5.0017 3  608.4793 99  58516 303491930      501833        C-13-H3C-13-H2C-13-N
  385121.0768  0.0032 -5.0017 3  608.4793 99  58516 303491931      501832        C-13-H3C-13-H2C-13-N
  385124.6066  0.0013 -2.4066 3  295.7474 93  58516 30346 245      45 244        C-13-H3C-13-H2C-13-N
  385176.1314  0.0086 -5.5108 3   71.1790 47  58516 30323 221      22 022        C-13-H3C-13-H2C-13-N
  385177.5151  0.0013 -2.4064 3  295.7385 93  58516 30346 145      45 144        C-13-H3C-13-H2C-13-N
  385200.1912  0.0223 -6.1264 3 1378.6008191  58516 303951086      941183        C-13-H3C-13-H2C-13-N
  385342.9348  0.0417 -5.3379 3 1373.8214 89  58516 3034439 5      4339 4        C-13-H3C-13-H2C-13-N
  385342.9348  0.0417 -5.3379 3 1373.8214 89  58516 3034439 6      4339 5        C-13-H3C-13-H2C-13-N
  385389.7726  0.0013 -3.5030 3  295.7385 93  58516 30346 245      45 144        C-13-H3C-13-H2C-13-N
  385396.3129  0.0023 -3.6813 3   42.7071 23  58516 30311 7 4      10 6 5        C-13-H3C-13-H2C-13-N
  385396.3129  0.0023 -3.6813 3   42.7071 23  58516 30311 7 5      10 6 4        C-13-H3C-13-H2C-13-N
  385453.5372  0.0032 -5.1551 3  712.2883109  58516 303542034      551937        C-13-H3C-13-H2C-13-N
  385453.5372  0.0032 -5.1551 3  712.2883109  58516 303542035      551936        C-13-H3C-13-H2C-13-N
  385577.7572  0.0074 -5.7360 3  182.2238 71  58516 30335 431      35 234        C-13-H3C-13-H2C-13-N
  385624.7442  0.0564 -5.5441 3 1429.1171 89  58516 3034440 4      4340 3        C-13-H3C-13-H2C-13-N
  385624.7442  0.0564 -5.5441 3 1429.1171 89  58516 3034440 5      4340 4        C-13-H3C-13-H2C-13-N
  385688.3510  0.0035 -3.8247 3  142.5757 63  58516 30331 428      30 327        C-13-H3C-13-H2C-13-N
  385705.2718  0.0233 -5.4298 3 1298.5936187  58516 30393 886      93 787        C-13-H3C-13-H2C-13-N
  385770.7468  0.0044 -5.3341 3  824.7473119  58516 303592138      602041        C-13-H3C-13-H2C-13-N
  385770.7468  0.0044 -5.3341 3  824.7473119  58516 303592139      602040        C-13-H3C-13-H2C-13-N
  385826.4866  0.0186 -4.9513 3  996.3819165  58516 30382 677      82 578        C-13-H3C-13-H2C-13-N
  385912.6762  0.0754 -5.7810 3 1485.6330 89  58516 3034441 3      4341 2        C-13-H3C-13-H2C-13-N
  385912.6762  0.0754 -5.7810 3 1485.6330 89  58516 3034441 4      4341 3        C-13-H3C-13-H2C-13-N
  385990.0143  0.0067 -4.7020 3  638.5874131  58516 30365 659      64 758        C-13-H3C-13-H2C-13-N
  386081.7343  0.0089 -5.5370 3  945.8457129  58516 303642242      652145        C-13-H3C-13-H2C-13-N
  386081.7343  0.0089 -5.5370 3  945.8457129  58516 303642243      652144        C-13-H3C-13-H2C-13-N
  386206.6344  0.0995 -6.0716 3 1543.3575 89  58516 3034442 2      4342 1        C-13-H3C-13-H2C-13-N
  386206.6344  0.0995 -6.0716 3 1543.3575 89  58516 3034442 3      4342 2        C-13-H3C-13-H2C-13-N
  386254.1929  0.0214 -5.3835 3  640.9014135  58516 30367 265      67 266        C-13-H3C-13-H2C-13-N
  386255.8201  0.0214 -4.6163 3  640.9014135  58516 30367 265      67 166        C-13-H3C-13-H2C-13-N
  386303.1815  0.0214 -4.6162 3  640.9014135  58516 30367 365      67 266        C-13-H3C-13-H2C-13-N
  386304.8087  0.0214 -5.3834 3  640.9014135  58516 30367 365      67 166        C-13-H3C-13-H2C-13-N
  386329.9203  0.0012 -2.4215 3  293.1655 89  58516 30344 539      43 538        C-13-H3C-13-H2C-13-N
  386395.1370  0.0176 -5.7626 3 1075.5724139  58516 303692346      702249        C-13-H3C-13-H2C-13-N
  386395.1370  0.0176 -5.7626 3 1075.5724139  58516 303692347      702248        C-13-H3C-13-H2C-13-N
  386454.0790  0.0184 -5.8216 3  996.3610165  58516 30382 677      82 478        C-13-H3C-13-H2C-13-N
  386719.1572  0.0314 -6.0101 3 1213.9150149  58516 303742450      752353        C-13-H3C-13-H2C-13-N
  386719.1572  0.0314 -6.0101 3 1213.9150149  58516 303742451      752352        C-13-H3C-13-H2C-13-N
  386750.3487  0.0021 -3.4141 3  299.3350 95  58516 30347 047      46 146        C-13-H3C-13-H2C-13-N
  386754.1693  0.0021 -2.3999 3  299.3350 95  58516 30347 147      46 146        C-13-H3C-13-H2C-13-N
  386755.2574  0.0021 -2.3999 3  299.3349 95  58516 30347 047      46 046        C-13-H3C-13-H2C-13-N
  386759.0781  0.0021 -3.4141 3  299.3349 95  58516 30347 147      46 046        C-13-H3C-13-H2C-13-N
  386781.9156  0.0291 -6.2066 3 1206.2840181  58516 30390 684      90 685        C-13-H3C-13-H2C-13-N
  386865.8414  0.0210 -5.8656 3 1019.8565167  58516 30383 578      83 579        C-13-H3C-13-H2C-13-N
  386950.3596  0.0178 -5.6185 3  870.0627155  58516 30377 473      77 474        C-13-H3C-13-H2C-13-N
  387065.1416  0.0178 -4.7857 3  870.0589155  58516 30377 473      77 374        C-13-H3C-13-H2C-13-N
  387355.3750  0.0093 -4.8690 3 1020.7246163  58516 303811071      81 972        C-13-H3C-13-H2C-13-N
  387385.2839  0.0208 -4.9961 3 1019.8392167  58516 30383 578      83 479        C-13-H3C-13-H2C-13-N
  387647.3878  0.0420 -5.4753 3  555.4851127  58516 30363 162      63 163        C-13-H3C-13-H2C-13-N
  387647.4545  0.0420 -4.7376 3  555.4851127  58516 30363 162      63 063        C-13-H3C-13-H2C-13-N
  387651.5806  0.0420 -4.7376 3  555.4851127  58516 30363 262      63 163        C-13-H3C-13-H2C-13-N
  387651.6473  0.0420 -5.4753 3  555.4851127  58516 30363 262      63 063        C-13-H3C-13-H2C-13-N
  387692.9137  0.0022 -3.8385 3  100.6093 53  58516 30326 422      25 323        C-13-H3C-13-H2C-13-N
  387783.8810  0.0012 -3.6305 3  303.8677 93  58516 30346 244      45 343        C-13-H3C-13-H2C-13-N
  387806.8693  0.0073 -5.0504 3  182.1494 71  58516 30335 431      35 134        C-13-H3C-13-H2C-13-N
  387984.4335  0.0411 -5.8778 3 1563.6224203  58516 303A11190      A11091        C-13-H3C-13-H2C-13-N
  388075.5868  0.0041 -5.0199 3   88.3732 51  58516 30325 322      24 123        C-13-H3C-13-H2C-13-N
  388108.2050  0.0038 -5.3601 3  251.0193 81  58516 30340 635      40 436        C-13-H3C-13-H2C-13-N
  388284.0635  0.0216 -5.1945 3 1155.4239177  58516 30388 782      88 683        C-13-H3C-13-H2C-13-N
  388321.7097  0.0120 -5.9366 3  948.9969159  58516 30379 872      79 673        C-13-H3C-13-H2C-13-N
  388363.2424  0.0268 -5.9211 3 1257.4676183  58516 30391 983      901080        C-13-H3C-13-H2C-13-N
  388451.7435  0.0283 -5.2979 3 1206.2283181  58516 30390 684      90 585        C-13-H3C-13-H2C-13-N
  388479.0913  0.0156 -5.4620 3  751.5361145  58516 30372 369      72 370        C-13-H3C-13-H2C-13-N
  388495.4285  0.0156 -4.6635 3  751.5355145  58516 30372 369      72 270        C-13-H3C-13-H2C-13-N
  388510.8434  0.0011 -2.4159 3  298.2154 91  58516 30345 442      44 441        C-13-H3C-13-H2C-13-N
  388540.6839  0.0175 -4.7825 3  870.0627155  58516 30377 573      77 474        C-13-H3C-13-H2C-13-N
  388655.4659  0.0175 -5.6150 3  870.0589155  58516 30377 573      77 374        C-13-H3C-13-H2C-13-N
  388669.5076  0.0059 -4.1893 3   96.0019 53  58516 30326 323      25 224        C-13-H3C-13-H2C-13-N
  388747.9897  0.0012 -3.6184 3  290.9005 91  58516 30345 343      44 242        C-13-H3C-13-H2C-13-N
  388795.7743  0.0156 -4.6629 3  751.5361145  58516 30372 469      72 370        C-13-H3C-13-H2C-13-N
  388812.1115  0.0155 -5.4613 3  751.5355145  58516 30372 469      72 270        C-13-H3C-13-H2C-13-N
  389036.5000  0.0228 -5.6815 3 1449.3214197  58516 30398 990      98 891        C-13-H3C-13-H2C-13-N
  389202.3066  0.0012 -2.4026 3  288.1910 89  58516 30344 440      43 439        C-13-H3C-13-H2C-13-N
  389234.0418  0.0035 -3.8207 3  151.7260 65  58516 30332 429      31 328        C-13-H3C-13-H2C-13-N
  389396.6598  0.0030 -5.9394 3   33.5960 31  58516 30315 411      14 212        C-13-H3C-13-H2C-13-N
  389420.0330  0.0011 -2.6837 3  411.5010 91  58516 303451332      441331        C-13-H3C-13-H2C-13-N
  389420.0330  0.0011 -2.6837 3  411.5010 91  58516 303451333      441332        C-13-H3C-13-H2C-13-N
  389433.5949  0.0011 -2.6392 3  392.9530 91  58516 303451233      441232        C-13-H3C-13-H2C-13-N
  389433.5949  0.0011 -2.6392 3  392.9530 91  58516 303451234      441233        C-13-H3C-13-H2C-13-N
  389438.3563  0.0011 -2.7317 3  431.5205 91  58516 303451431      441430        C-13-H3C-13-H2C-13-N
  389438.3563  0.0011 -2.7317 3  431.5205 91  58516 303451432      441431        C-13-H3C-13-H2C-13-N
  389482.2023  0.0011 -2.7833 3  453.0039 91  58516 303451530      441529        C-13-H3C-13-H2C-13-N
  389482.2023  0.0011 -2.7833 3  453.0039 91  58516 303451531      441530        C-13-H3C-13-H2C-13-N
  389488.5615  0.0011 -2.5983 3  375.8851 91  58516 303451135      441134        C-13-H3C-13-H2C-13-N
  389488.5618  0.0011 -2.5983 3  375.8851 91  58516 303451134      441133        C-13-H3C-13-H2C-13-N
  389547.1691  0.0012 -2.8385 3  475.9439 91  58516 303451629      441628        C-13-H3C-13-H2C-13-N
  389547.1691  0.0012 -2.8385 3  475.9439 91  58516 303451630      441629        C-13-H3C-13-H2C-13-N
  389568.0323  0.0044 -5.4259 3  209.2391 75  58516 30337 532      37 335        C-13-H3C-13-H2C-13-N
  389599.7882  0.0011 -2.5608 3  360.3072 91  58516 303451036      441035        C-13-H3C-13-H2C-13-N
  389599.7961  0.0011 -2.5608 3  360.3072 91  58516 303451035      441034        C-13-H3C-13-H2C-13-N
  389630.1211  0.0012 -2.8973 3  500.3330 91  58516 303451728      441727        C-13-H3C-13-H2C-13-N
  389630.1211  0.0012 -2.8973 3  500.3330 91  58516 303451729      441728        C-13-H3C-13-H2C-13-N
  389728.7676  0.0012 -2.9597 3  526.1640 91  58516 303451827      441826        C-13-H3C-13-H2C-13-N
  389728.7676  0.0012 -2.9597 3  526.1640 91  58516 303451828      441827        C-13-H3C-13-H2C-13-N
  389791.6659  0.0011 -2.5268 3  346.2321 91  58516 30345 937      44 936        C-13-H3C-13-H2C-13-N
  389791.8882  0.0011 -2.5268 3  346.2321 91  58516 30345 936      44 935        C-13-H3C-13-H2C-13-N
  389841.3964  0.0013 -3.0258 3  553.4294 91  58516 303451926      441925        C-13-H3C-13-H2C-13-N
  389841.3964  0.0013 -3.0258 3  553.4294 91  58516 303451927      441926        C-13-H3C-13-H2C-13-N
  389966.7014  0.0013 -3.0956 3  582.1217 91  58516 303452025      442024        C-13-H3C-13-H2C-13-N
  389966.7014  0.0013 -3.0956 3  582.1217 91  58516 303452026      442025        C-13-H3C-13-H2C-13-N
  389981.7051  0.0019 -3.7213 3   78.7095 45  58516 30322 518      21 417        C-13-H3C-13-H2C-13-N
  390036.4179  0.0019 -3.8392 3  337.9279 97  58516 30348 345      47 444        C-13-H3C-13-H2C-13-N
  390098.4142  0.0084 -4.8215 3  997.2240161  58516 303801070      80 971        C-13-H3C-13-H2C-13-N
  390103.6671  0.0014 -3.1691 3  612.2331 91  58516 303452124      442123        C-13-H3C-13-H2C-13-N
  390103.6671  0.0014 -3.1691 3  612.2331 91  58516 303452125      442124        C-13-H3C-13-H2C-13-N
  390105.6356  0.0011 -2.4962 3  333.6781 91  58516 30345 838      44 837        C-13-H3C-13-H2C-13-N
  390110.4591  0.0011 -2.4962 3  333.6785 91  58516 30345 837      44 836        C-13-H3C-13-H2C-13-N
  390152.5866  0.0398 -5.6980 3 1435.3471197  58516 30398 791      98 692        C-13-H3C-13-H2C-13-N
  390198.0247  0.0032 -5.6362 3  120.3388 27  58516 3031312 1      1411 4        C-13-H3C-13-H2C-13-N
  390198.0247  0.0032 -5.6362 3  120.3388 27  58516 3031312 2      1411 3        C-13-H3C-13-H2C-13-N
  390251.4895  0.0014 -3.2464 3  643.7554 91  58516 303452223      442222        C-13-H3C-13-H2C-13-N
  390251.4895  0.0014 -3.2464 3  643.7554 91  58516 303452224      442223        C-13-H3C-13-H2C-13-N
  390409.5213  0.0015 -3.3275 3  676.6805 91  58516 303452322      442321        C-13-H3C-13-H2C-13-N
  390409.5213  0.0015 -3.3275 3  676.6805 91  58516 303452323      442322        C-13-H3C-13-H2C-13-N
  390577.2326  0.0015 -3.4125 3  710.9998 91  58516 303452421      442420        C-13-H3C-13-H2C-13-N
  390577.2326  0.0015 -3.4125 3  710.9998 91  58516 303452422      442421        C-13-H3C-13-H2C-13-N
  390597.6318  0.0011 -2.4689 3  322.6733 91  58516 30345 739      44 738        C-13-H3C-13-H2C-13-N
  390639.1239  0.0019 -3.7203 3   78.6888 45  58516 30322 517      21 418        C-13-H3C-13-H2C-13-N
  390649.0522  0.0207 -6.1043 3 1155.3450177  58516 30388 782      88 583        C-13-H3C-13-H2C-13-N
  390673.8469  0.0011 -2.4688 3  322.6806 91  58516 30345 738      44 737        C-13-H3C-13-H2C-13-N
  390724.0747  0.0167 -5.3687 3 1296.9939185  58516 303921083      92 984        C-13-H3C-13-H2C-13-N
  390754.1828  0.0017 -3.5014 3  746.7047 91  58516 303452520      442519        C-13-H3C-13-H2C-13-N
  390754.1828  0.0017 -3.5014 3  746.7047 91  58516 303452521      442520        C-13-H3C-13-H2C-13-N
  390783.5243  0.0178 -5.4190 3 1323.8469187  58516 303931084      93 985        C-13-H3C-13-H2C-13-N
  390826.6387  0.0157 -5.3188 3 1270.4221183  58516 303911082      91 983        C-13-H3C-13-H2C-13-N
  390893.3026  0.0031 -5.0091 3  161.9497 37  58516 3031813 5      1912 8        C-13-H3C-13-H2C-13-N
  390893.3026  0.0031 -5.0091 3  161.9497 37  58516 3031813 6      1912 7        C-13-H3C-13-H2C-13-N
  390939.9999  0.0019 -3.5944 3  783.7861 91  58516 303452619      442618        C-13-H3C-13-H2C-13-N
  390939.9999  0.0019 -3.5944 3  783.7861 91  58516 303452620      442619        C-13-H3C-13-H2C-13-N
  391017.5241  0.0189 -5.4697 3 1350.9801189  58516 303941085      94 986        C-13-H3C-13-H2C-13-N
  391027.3600  0.0011 -2.4266 3  305.2786 91  58516 30345 541      44 540        C-13-H3C-13-H2C-13-N
  391078.2194  0.0147 -5.2694 3 1244.1321181  58516 303901081      90 982        C-13-H3C-13-H2C-13-N
  391134.3654  0.0021 -3.6914 3  822.2349 91  58516 303452718      442717        C-13-H3C-13-H2C-13-N
  391134.3654  0.0021 -3.6914 3  822.2349 91  58516 303452719      442718        C-13-H3C-13-H2C-13-N
  391185.4342  0.0011 -2.4452 3  313.2431 91  58516 30345 640      44 639        C-13-H3C-13-H2C-13-N
  391279.2186  0.0249 -5.4727 3 1325.4393189  58516 30394 887      94 788        C-13-H3C-13-H2C-13-N
  391337.0022  0.0025 -3.7927 3  862.0418 91  58516 303452817      442816        C-13-H3C-13-H2C-13-N
  391337.0022  0.0025 -3.7927 3  862.0418 91  58516 303452818      442817        C-13-H3C-13-H2C-13-N
  391437.9990  0.0201 -5.5208 3 1378.3928191  58516 303951086      95 987        C-13-H3C-13-H2C-13-N
  391465.5152  0.0138 -5.2203 3 1218.1248179  58516 303891080      89 981        C-13-H3C-13-H2C-13-N
  391506.0329  0.0030 -4.7962 3  212.2538 47  58516 3032314 9      241312        C-13-H3C-13-H2C-13-N
  391506.0329  0.0030 -4.7962 3  212.2538 47  58516 303231410      241311        C-13-H3C-13-H2C-13-N
  391519.3384  0.0012 -2.4104 3  303.8677 93  58516 30346 344      45 343        C-13-H3C-13-H2C-13-N
  391547.6665  0.0029 -3.8984 3  903.1971 91  58516 303452916      442915        C-13-H3C-13-H2C-13-N
  391547.6665  0.0029 -3.8984 3  903.1971 91  58516 303452917      442916        C-13-H3C-13-H2C-13-N
  391766.1411  0.0034 -4.0086 3  945.6910 91  58516 303453015      443014        C-13-H3C-13-H2C-13-N
  391766.1411  0.0034 -4.0086 3  945.6910 91  58516 303453016      443015        C-13-H3C-13-H2C-13-N
  391962.9161  0.0030 -6.0404 3   29.1739 29  58516 30314 411      13 212        C-13-H3C-13-H2C-13-N
  391975.0744  0.0129 -5.1718 3 1192.4009177  58516 303881079      88 980        C-13-H3C-13-H2C-13-N
  391989.5323  0.0011 -2.4436 3  313.3395 91  58516 30345 639      44 638        C-13-H3C-13-H2C-13-N
  391992.2298  0.0040 -4.1236 3  989.5136 91  58516 303453114      443113        C-13-H3C-13-H2C-13-N
  391992.2298  0.0040 -4.1236 3  989.5136 91  58516 303453115      443114        C-13-H3C-13-H2C-13-N
  392001.1251  0.0060 -6.2071 3   53.7492 39  58516 30319 416      19 119        C-13-H3C-13-H2C-13-N
  392035.1367  0.0052 -5.4675 3  535.6310119  58516 30359 753      59 554        C-13-H3C-13-H2C-13-N
  392043.6386  0.0028 -4.7197 3  271.2486 57  58516 303281513      291416        C-13-H3C-13-H2C-13-N
  392043.6386  0.0028 -4.7197 3  271.2486 57  58516 303281514      291415        C-13-H3C-13-H2C-13-N
  392056.1176  0.0213 -5.5723 3 1406.0839193  58516 303961087      96 988        C-13-H3C-13-H2C-13-N
  392225.7540  0.0048 -4.2437 3 1034.6548 91  58516 303453213      443212        C-13-H3C-13-H2C-13-N
  392225.7540  0.0048 -4.2437 3 1034.6548 91  58516 303453214      443213        C-13-H3C-13-H2C-13-N
  392282.8692  0.0012 -2.4084 3  303.7176 93  58516 30346 244      45 243        C-13-H3C-13-H2C-13-N
  392378.3869  0.0197 -4.9857 3 1019.8565167  58516 30383 678      83 579        C-13-H3C-13-H2C-13-N
  392466.5492  0.0061 -4.3690 3 1081.1041 91  58516 303453312      443311        C-13-H3C-13-H2C-13-N
  392466.5492  0.0061 -4.3690 3 1081.1041 91  58516 303453313      443312        C-13-H3C-13-H2C-13-N
  392514.8111  0.0027 -4.7174 3  338.9302 67  58516 303331617      341520        C-13-H3C-13-H2C-13-N
  392514.8111  0.0027 -4.7174 3  338.9302 67  58516 303331618      341519        C-13-H3C-13-H2C-13-N
  392536.9890  0.0035 -3.8165 3  161.1727 67  58516 30333 430      32 329        C-13-H3C-13-H2C-13-N
  392593.4483  0.0121 -5.1238 3 1166.9612175  58516 303871078      87 979        C-13-H3C-13-H2C-13-N
  392614.8704  0.0076 -4.7751 3  974.0215159  58516 303791069      79 970        C-13-H3C-13-H2C-13-N
  392677.9860  0.0021 -3.6789 3   57.9020 35  58516 30317 612      16 511        C-13-H3C-13-H2C-13-N
  392679.5866  0.0021 -3.6789 3   57.9019 35  58516 30317 611      16 512        C-13-H3C-13-H2C-13-N
  392714.4628  0.0081 -4.5002 3 1128.8512 91  58516 303453411      443410        C-13-H3C-13-H2C-13-N
  392714.4628  0.0081 -4.5002 3 1128.8512 91  58516 303453412      443411        C-13-H3C-13-H2C-13-N
  392729.8184  0.0226 -5.4077 3  659.6971137  58516 30368 266      68 267        C-13-H3C-13-H2C-13-N
  392731.1019  0.0226 -4.6410 3  659.6970137  58516 30368 266      68 167        C-13-H3C-13-H2C-13-N
  392769.1931  0.0226 -4.6410 3  659.6971137  58516 30368 366      68 267        C-13-H3C-13-H2C-13-N
  392770.4766  0.0226 -5.4076 3  659.6970137  58516 30368 366      68 167        C-13-H3C-13-H2C-13-N
  392818.8720  0.0121 -5.9110 3  925.9834157  58516 30378 871      78 672        C-13-H3C-13-H2C-13-N
  392882.1571  0.0226 -5.6240 3 1434.0527195  58516 303971088      97 989        C-13-H3C-13-H2C-13-N
  392897.8294  0.0196 -5.8535 3 1019.8392167  58516 30383 678      83 479        C-13-H3C-13-H2C-13-N
  392928.9321  0.0028 -4.7655 3  415.2936 77  58516 303381721      391624        C-13-H3C-13-H2C-13-N
  392928.9321  0.0028 -4.7655 3  415.2936 77  58516 303381722      391623        C-13-H3C-13-H2C-13-N
  392969.3520  0.0111 -4.6377 3 1177.8854 91  58516 303453510      4435 9        C-13-H3C-13-H2C-13-N
  392969.3520  0.0111 -4.6377 3 1177.8854 91  58516 303453511      443510        C-13-H3C-13-H2C-13-N
  392992.2576  0.0012 -2.4025 3  296.9019 91  58516 30345 342      44 341        C-13-H3C-13-H2C-13-N
  393085.6943  0.0014 -3.5004 3  308.5938 95  58516 30347 146      46 245        C-13-H3C-13-H2C-13-N
  393231.0828  0.0155 -4.7823 3 1228.1958 91  58516 3034536 9      4436 8        C-13-H3C-13-H2C-13-N
  393231.0828  0.0155 -4.7823 3 1228.1958 91  58516 303453610      4436 9        C-13-H3C-13-H2C-13-N
  393232.4410  0.0234 -5.6780 3 1154.9256175  58516 30387 978      861077        C-13-H3C-13-H2C-13-N
  393255.3819  0.0014 -2.4061 3  308.5938 95  58516 30347 246      46 245        C-13-H3C-13-H2C-13-N
  393270.0876  0.0239 -5.7296 3 1477.7016199  58516 30399 991      99 892        C-13-H3C-13-H2C-13-N
  393295.6894  0.0031 -4.8524 3  500.3330 87  58516 303431825      441728        C-13-H3C-13-H2C-13-N
  393295.6894  0.0031 -4.8524 3  500.3330 87  58516 303431826      441727        C-13-H3C-13-H2C-13-N
  393297.9518  0.0014 -2.4060 3  308.5867 95  58516 30347 146      46 145        C-13-H3C-13-H2C-13-N
  393307.3376  0.0113 -5.0763 3 1141.8063173  58516 303861077      86 978        C-13-H3C-13-H2C-13-N
  393435.3981  0.0375 -5.8122 3 1534.2854201  58516 303A01189      A01090        C-13-H3C-13-H2C-13-N
  393467.6394  0.0014 -3.4996 3  308.5867 95  58516 30347 246      46 145        C-13-H3C-13-H2C-13-N
  393499.5282  0.0218 -4.9350 3 1279.7716 91  58516 3034537 8      4437 7        C-13-H3C-13-H2C-13-N
  393499.5282  0.0218 -4.9350 3 1279.7716 91  58516 3034537 9      4437 8        C-13-H3C-13-H2C-13-N
  393624.8241  0.0032 -4.9720 3  594.0411 97  58516 303481929      491832        C-13-H3C-13-H2C-13-N
  393624.8241  0.0032 -4.9720 3  594.0411 97  58516 303481930      491831        C-13-H3C-13-H2C-13-N
  393697.3517  0.0676 -6.2048 3 1714.0714215  58516 303A7 899      A7 7A0        C-13-H3C-13-H2C-13-N
  393774.5677  0.0304 -5.0971 3 1332.6018 91  58516 3034538 7      4438 6        C-13-H3C-13-H2C-13-N
  393774.5677  0.0304 -5.0971 3 1332.6018 91  58516 3034538 8      4438 7        C-13-H3C-13-H2C-13-N
  393797.6989  0.0189 -5.6473 3  891.9793157  58516 30378 474      78 475        C-13-H3C-13-H2C-13-N
  393891.1818  0.0188 -4.8162 3  891.9762157  58516 30378 474      78 375        C-13-H3C-13-H2C-13-N
  393925.3802  0.0240 -5.6762 3 1462.2982197  58516 303981089      98 990        C-13-H3C-13-H2C-13-N
  393925.9630  0.0032 -5.1201 3  696.4098107  58516 303532033      541936        C-13-H3C-13-H2C-13-N
  393925.9630  0.0032 -5.1201 3  696.4098107  58516 303532034      541935        C-13-H3C-13-H2C-13-N
  393996.9631  0.0049 -5.7978 3   48.4704 39  58516 30319 317      18 118        C-13-H3C-13-H2C-13-N
  394053.6791  0.0023 -3.6594 3   45.8821 25  58516 30312 7 6      11 6 5        C-13-H3C-13-H2C-13-N
  394053.6793  0.0023 -3.6594 3   45.8821 25  58516 30312 7 5      11 6 6        C-13-H3C-13-H2C-13-N
  394056.0866  0.0419 -5.2709 3 1386.6750 91  58516 3034539 6      4439 5        C-13-H3C-13-H2C-13-N
  394056.0866  0.0419 -5.2709 3 1386.6750 91  58516 3034539 7      4439 6        C-13-H3C-13-H2C-13-N
  394087.9370  0.0442 -5.4974 3  572.9870129  58516 30364 163      64 164        C-13-H3C-13-H2C-13-N
  394087.9887  0.0442 -4.7598 3  572.9870129  58516 30364 163      64 064        C-13-H3C-13-H2C-13-N
  394091.2479  0.0442 -4.7598 3  572.9870129  58516 30364 263      64 164        C-13-H3C-13-H2C-13-N
  394091.2997  0.0442 -5.4974 3  572.9870129  58516 30364 263      64 064        C-13-H3C-13-H2C-13-N
  394103.7299  0.0105 -5.0293 3 1116.9368171  58516 303851076      85 977        C-13-H3C-13-H2C-13-N
  394172.2157  0.0038 -5.3664 3  239.2268 79  58516 30339 634      39 435        C-13-H3C-13-H2C-13-N
  394208.5038  0.0043 -5.2943 3  807.4301117  58516 303582137      592040        C-13-H3C-13-H2C-13-N
  394208.5038  0.0043 -5.2943 3  807.4301117  58516 303582138      592039        C-13-H3C-13-H2C-13-N
  394279.9658  0.0221 -5.8963 3 1043.5984169  58516 30384 579      84 580        C-13-H3C-13-H2C-13-N
  394304.6299  0.0249 -6.1624 3 1406.0089193  58516 303961087      951184        C-13-H3C-13-H2C-13-N
  394343.9755  0.0569 -5.4595 3 1441.9801 91  58516 3034540 5      4440 4        C-13-H3C-13-H2C-13-N
  394343.9755  0.0569 -5.4595 3 1441.9801 91  58516 3034540 6      4440 5        C-13-H3C-13-H2C-13-N
  394481.5342  0.0088 -5.4928 3  927.0916127  58516 303632241      642144        C-13-H3C-13-H2C-13-N
  394481.5342  0.0088 -5.4928 3  927.0916127  58516 303632242      642143        C-13-H3C-13-H2C-13-N
  394598.2962  0.0231 -5.2331 3 1180.7207179  58516 30389 783      89 684        C-13-H3C-13-H2C-13-N
  394638.1299  0.0762 -5.6684 3 1498.5056 91  58516 3034541 4      4441 3        C-13-H3C-13-H2C-13-N
  394638.1299  0.0762 -5.6684 3 1498.5056 91  58516 3034541 5      4441 4        C-13-H3C-13-H2C-13-N
  394709.5039  0.0219 -5.0295 3 1043.5841169  58516 30384 579      84 480        C-13-H3C-13-H2C-13-N
  394753.7717  0.0175 -5.7143 3 1055.3834137  58516 303682345      692248        C-13-H3C-13-H2C-13-N
  394753.7717  0.0175 -5.7143 3 1055.3834137  58516 303682346      692247        C-13-H3C-13-H2C-13-N
  394881.2079  0.0022 -3.4133 3  312.2358 97  58516 30348 048      47 147        C-13-H3C-13-H2C-13-N
  394884.1803  0.0022 -2.3998 3  312.2358 97  58516 30348 148      47 147        C-13-H3C-13-H2C-13-N
  394885.0286  0.0022 -2.3998 3  312.2357 97  58516 30348 048      47 047        C-13-H3C-13-H2C-13-N
  394888.0009  0.0022 -3.4132 3  312.2357 97  58516 30348 148      47 047        C-13-H3C-13-H2C-13-N
  394923.5814  0.0068 -4.7299 3  951.1165157  58516 303781068      78 969        C-13-H3C-13-H2C-13-N
  394938.4496  0.1007 -5.9079 3 1556.2400 91  58516 3034542 3      4442 2        C-13-H3C-13-H2C-13-N
  394938.4496  0.1007 -5.9079 3 1556.2400 91  58516 3034542 4      4442 3        C-13-H3C-13-H2C-13-N
  394970.0255  0.0098 -4.9829 3 1092.3535169  58516 303841075      84 976        C-13-H3C-13-H2C-13-N
  395033.5157  0.0313 -5.9579 3 1192.2933147  58516 303732449      742352        C-13-H3C-13-H2C-13-N
  395033.5157  0.0313 -5.9579 3 1192.2933147  58516 303732450      742351        C-13-H3C-13-H2C-13-N
  395057.5437  0.0166 -5.4888 3  771.8931147  58516 30373 370      73 371        C-13-H3C-13-H2C-13-N
  395070.6391  0.0166 -4.6914 3  771.8927147  58516 30373 370      73 271        C-13-H3C-13-H2C-13-N
  395121.2613  0.0186 -4.8137 3  891.9793157  58516 30378 574      78 475        C-13-H3C-13-H2C-13-N
  395173.3047  0.0302 -6.2390 3 1232.1136183  58516 30391 685      91 686        C-13-H3C-13-H2C-13-N
  395193.9262  0.0254 -5.7286 3 1490.8196199  58516 303991090      99 991        C-13-H3C-13-H2C-13-N
  395214.7442  0.0186 -5.6444 3  891.9762157  58516 30378 574      78 375        C-13-H3C-13-H2C-13-N
  395244.8393  0.1314 -6.2011 3 1615.1715 91  58516 3034543 2      4443 1        C-13-H3C-13-H2C-13-N
  395244.8393  0.1314 -6.2011 3 1615.1715 91  58516 3034543 3      4443 2        C-13-H3C-13-H2C-13-N
  395263.6692  0.0260 -6.0444 3 1351.4181189  58516 303941084      931183        C-13-H3C-13-H2C-13-N
  395316.4892  0.0166 -4.6909 3  771.8931147  58516 30373 470      73 371        C-13-H3C-13-H2C-13-N
  395328.6075  0.0520 -6.2229 3 1337.8082157  58516 303782553      792456        C-13-H3C-13-H2C-13-N
  395328.6075  0.0520 -6.2229 3 1337.8082157  58516 303782554      792455        C-13-H3C-13-H2C-13-N
  395329.5846  0.0166 -5.4883 3  771.8927147  58516 30373 470      73 271        C-13-H3C-13-H2C-13-N
  395361.8618  0.0303 -5.9642 3 1283.8061185  58516 30392 984      911081        C-13-H3C-13-H2C-13-N
  395506.2937  0.0012 -2.4183 3  306.0521 91  58516 30345 540      44 539        C-13-H3C-13-H2C-13-N
  395557.7647  0.0046 -5.4322 3  220.1058 77  58516 30338 533      38 336        C-13-H3C-13-H2C-13-N
  395611.3122  0.0191 -5.3326 3  973.7454161  58516 30380 872      79 971        C-13-H3C-13-H2C-13-N
  395633.0105  0.0035 -3.8121 3  170.9138 69  58516 30334 431      33 330        C-13-H3C-13-H2C-13-N
  395818.5827  0.0031 -5.8505 3   38.0077 33  58516 30316 412      15 213        C-13-H3C-13-H2C-13-N
  395894.1497  0.0091 -4.9371 3 1068.0567167  58516 303831074      83 975        C-13-H3C-13-H2C-13-N
  396018.3266  0.0012 -3.6115 3  303.7176 93  58516 30346 344      45 243        C-13-H3C-13-H2C-13-N
  396574.0258  0.0295 -5.3341 3 1232.0668183  58516 30391 685      91 586        C-13-H3C-13-H2C-13-N
  396586.7173  0.0223 -6.1396 3 1180.6544179  58516 30389 783      89 584        C-13-H3C-13-H2C-13-N
  396590.2026  0.0012 -3.6214 3  316.9274 95  58516 30347 245      46 344        C-13-H3C-13-H2C-13-N
  396694.7192  0.0269 -5.7814 3 1519.6160201  58516 303A01091      A0 992        C-13-H3C-13-H2C-13-N
  396857.1156  0.0012 -2.4151 3  311.1748 93  58516 30346 443      45 442        C-13-H3C-13-H2C-13-N
  396864.6485  0.0085 -4.8918 3 1044.0471165  58516 303821073      82 974        C-13-H3C-13-H2C-13-N
  396992.2357  0.0266 -5.5161 3 1352.5514191  58516 30395 888      95 789        C-13-H3C-13-H2C-13-N
  397042.7652  0.0062 -4.6857 3  928.5080155  58516 303771067      77 968        C-13-H3C-13-H2C-13-N
  397353.9930  0.0046 -5.1830 3   48.3585 39  58516 30319 317      18 018        C-13-H3C-13-H2C-13-N
  397719.2478  0.0250 -5.7781 3 1506.3495201  58516 303A0 992      A0 893        C-13-H3C-13-H2C-13-N
  397870.7687  0.0079 -4.8472 3 1020.3251163  58516 303811072      81 973        C-13-H3C-13-H2C-13-N
  397934.3988  0.0032 -4.1004 3  417.6149107  58516 30353 449      52 548        C-13-H3C-13-H2C-13-N
  397968.4124  0.0012 -2.4007 3  301.1734 91  58516 30345 441      44 440        C-13-H3C-13-H2C-13-N
  397999.5369  0.0122 -5.8862 3  903.2317155  58516 30377 870      77 671        C-13-H3C-13-H2C-13-N
  398055.5996  0.0011 -2.6808 3  424.4906 93  58516 303461333      451332        C-13-H3C-13-H2C-13-N
  398055.5996  0.0011 -2.6808 3  424.4906 93  58516 303461334      451333        C-13-H3C-13-H2C-13-N
  398070.2430  0.0011 -2.7285 3  444.5108 93  58516 303461432      451431        C-13-H3C-13-H2C-13-N
  398070.2430  0.0011 -2.7285 3  444.5108 93  58516 303461433      451432        C-13-H3C-13-H2C-13-N
  398074.6456  0.0011 -2.6366 3  405.9431 93  58516 303461234      451233        C-13-H3C-13-H2C-13-N
  398074.6456  0.0011 -2.6366 3  405.9431 93  58516 303461235      451234        C-13-H3C-13-H2C-13-N
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  398111.7740  0.0012 -2.7798 3  465.9957 93  58516 303461532      451531        C-13-H3C-13-H2C-13-N
  398137.5707  0.0011 -2.5958 3  388.8771 93  58516 303461136      451135        C-13-H3C-13-H2C-13-N
  398137.5711  0.0011 -2.5958 3  388.8771 93  58516 303461135      451134        C-13-H3C-13-H2C-13-N
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  398175.4912  0.0012 -2.8346 3  488.9377 93  58516 303461631      451630        C-13-H3C-13-H2C-13-N
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  398258.0482  0.0012 -2.8930 3  513.3296 93  58516 303461730      451729        C-13-H3C-13-H2C-13-N
  398260.3045  0.0011 -2.5586 3  373.3029 93  58516 303461037      451036        C-13-H3C-13-H2C-13-N
  398260.3164  0.0011 -2.5586 3  373.3029 93  58516 303461036      451035        C-13-H3C-13-H2C-13-N
  398306.9021  0.0024 -3.8352 3  108.1104 55  58516 30327 423      26 324        C-13-H3C-13-H2C-13-N
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  398469.0499  0.0011 -2.5248 3  359.2341 93  58516 30346 938      45 937        C-13-H3C-13-H2C-13-N
  398469.3706  0.0011 -2.5248 3  359.2341 93  58516 30346 937      45 936        C-13-H3C-13-H2C-13-N
  398470.5269  0.0013 -3.0206 3  566.4331 93  58516 303461927      451926        C-13-H3C-13-H2C-13-N
  398470.5269  0.0013 -3.0206 3  566.4331 93  58516 303461928      451927        C-13-H3C-13-H2C-13-N
  398560.1189  0.0035 -3.8072 3  180.9475 71  58516 30335 432      34 331        C-13-H3C-13-H2C-13-N
  398580.3001  0.0341 -5.7478 3 1505.2509199  58516 303991188      991089        C-13-H3C-13-H2C-13-N
  398597.2325  0.0013 -3.0899 3  595.1296 93  58516 303462026      452025        C-13-H3C-13-H2C-13-N
  398597.2325  0.0013 -3.0899 3  595.1296 93  58516 303462027      452026        C-13-H3C-13-H2C-13-N
  398736.0377  0.0014 -3.1628 3  625.2455 93  58516 303462125      452124        C-13-H3C-13-H2C-13-N
  398736.0377  0.0014 -3.1628 3  625.2455 93  58516 303462126      452125        C-13-H3C-13-H2C-13-N
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  398814.6784  0.0011 -2.4943 3  346.6912 93  58516 30346 838      45 837        C-13-H3C-13-H2C-13-N
  398831.9185  0.0032 -6.0540 3  116.2957 25  58516 3031212 0      1311 3        C-13-H3C-13-H2C-13-N
  398831.9185  0.0032 -6.0540 3  116.2957 25  58516 3031212 1      1311 2        C-13-H3C-13-H2C-13-N
  398886.0875  0.0014 -3.2394 3  656.7728 93  58516 303462224      452223        C-13-H3C-13-H2C-13-N
  398886.0875  0.0014 -3.2394 3  656.7728 93  58516 303462225      452224        C-13-H3C-13-H2C-13-N
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  398948.7445  0.0209 -5.0208 3 1043.5984169  58516 30384 679      84 580        C-13-H3C-13-H2C-13-N
  398989.6967  0.0056 -4.6426 3  906.1953153  58516 303761066      76 967        C-13-H3C-13-H2C-13-N
  399010.2594  0.0063 -6.1470 3   59.3020 41  58516 30320 417      20 120        C-13-H3C-13-H2C-13-N
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  399165.4339  0.0019 -3.7060 3   85.0568 47  58516 30323 518      22 419        C-13-H3C-13-H2C-13-N
  399197.1377  0.0239 -5.4327 3  678.7623139  58516 30369 267      69 268        C-13-H3C-13-H2C-13-N
  399198.1498  0.0239 -4.6666 3  678.7622139  58516 30369 267      69 168        C-13-H3C-13-H2C-13-N
  399217.2955  0.0015 -3.4040 3  724.0281 93  58516 303462422      452421        C-13-H3C-13-H2C-13-N
  399217.2955  0.0015 -3.4040 3  724.0281 93  58516 303462423      452422        C-13-H3C-13-H2C-13-N
  399228.7655  0.0239 -4.6665 3  678.7623139  58516 30369 367      69 268        C-13-H3C-13-H2C-13-N
  399229.7776  0.0239 -5.4327 3  678.7622139  58516 30369 367      69 168        C-13-H3C-13-H2C-13-N
  399253.4283  0.0410 -5.7375 3 1463.5427199  58516 30399 792      99 693        C-13-H3C-13-H2C-13-N
  399332.2984  0.0011 -2.4671 3  335.7022 93  58516 30346 740      45 739        C-13-H3C-13-H2C-13-N
  399378.2826  0.0208 -5.8862 3 1043.5841169  58516 30384 679      84 480        C-13-H3C-13-H2C-13-N
  399397.4245  0.0016 -3.4921 3  759.7388 93  58516 303462521      452520        C-13-H3C-13-H2C-13-N
  399397.4245  0.0016 -3.4921 3  759.7388 93  58516 303462522      452521        C-13-H3C-13-H2C-13-N
  399431.9828  0.0011 -2.4669 3  335.7121 93  58516 30346 739      45 738        C-13-H3C-13-H2C-13-N
  399517.2797  0.0032 -5.1016 3  156.4618 35  58516 3031713 4      1812 7        C-13-H3C-13-H2C-13-N
  399517.2797  0.0032 -5.1016 3  156.4618 35  58516 3031713 5      1812 6        C-13-H3C-13-H2C-13-N
  399527.5137  0.0122 -5.6598 3  138.3992 63  58516 30331 328      31 031        C-13-H3C-13-H2C-13-N
  399586.6874  0.0018 -3.5840 3  796.8265 93  58516 303462620      452619        C-13-H3C-13-H2C-13-N
  399586.6874  0.0018 -3.5840 3  796.8265 93  58516 303462621      452620        C-13-H3C-13-H2C-13-N
  399627.7699  0.0012 -2.4254 3  318.3219 93  58516 30346 542      45 541        C-13-H3C-13-H2C-13-N
  399682.8312  0.0012 -2.4106 3  316.9274 95  58516 30347 345      46 344        C-13-H3C-13-H2C-13-N
  399764.8812  0.0052 -5.4576 3  518.2660117  58516 30358 752      58 553        C-13-H3C-13-H2C-13-N
  399784.7475  0.0021 -3.6800 3  835.2818 93  58516 303462719      452718        C-13-H3C-13-H2C-13-N
  399784.7475  0.0021 -3.6800 3  835.2818 93  58516 303462720      452719        C-13-H3C-13-H2C-13-N
  399921.3528  0.0011 -2.4436 3  326.2916 93  58516 30346 641      45 640        C-13-H3C-13-H2C-13-N
  399935.0289  0.0037 -5.3734 3  227.7360 77  58516 30338 633      38 434        C-13-H3C-13-H2C-13-N
  399950.7152  0.0068 -4.7600 3  973.7454159  58516 303791070      79 971        C-13-H3C-13-H2C-13-N
  399991.3126  0.0024 -3.7800 3  875.0954 93  58516 303462818      452817        C-13-H3C-13-H2C-13-N
  399991.3126  0.0024 -3.7800 3  875.0954 93  58516 303462819      452818        C-13-H3C-13-H2C-13-N
  400117.8676  0.0030 -4.8317 3  205.3211 45  58516 3032214 8      231311        C-13-H3C-13-H2C-13-N
  400117.8676  0.0030 -4.8317 3  205.3211 45  58516 3032214 9      231310        C-13-H3C-13-H2C-13-N
  400206.1220  0.0500 -3.8843 3  916.2577 93 -58516 303462917      452916        C-13-H3C-13-H2C-13-N
  400206.1220  0.0500 -3.8843 3  916.2577 93 -58516 303462918      452917        C-13-H3C-13-H2C-13-N
  400325.6590  0.0300 -2.4089 3  316.8028 95 -58516 30347 245      46 244        C-13-H3C-13-H2C-13-N
  400414.2355  0.0303 -5.8878 3 1578.0302205  58516 303A21093      A2 994        C-13-H3C-13-H2C-13-N
  400428.9470  0.0500 -3.9929 3  958.7589 93 -58516 303463016      453015        C-13-H3C-13-H2C-13-N
  400428.9470  0.0500 -3.9929 3  958.7589 93 -58516 303463017      453016        C-13-H3C-13-H2C-13-N
  400524.0442  0.0466 -5.5203 3  590.7589131  58516 30365 164      65 165        C-13-H3C-13-H2C-13-N
  400524.0843  0.0466 -4.7828 3  590.7589131  58516 30365 164      65 065        C-13-H3C-13-H2C-13-N
  400526.6578  0.0466 -4.7828 3  590.7589131  58516 30365 264      65 165        C-13-H3C-13-H2C-13-N
  400526.6979  0.0466 -5.5203 3  590.7589131  58516 30365 264      65 065        C-13-H3C-13-H2C-13-N
  400547.3867  0.0128 -5.0031 3  807.9070147  58516 30373 766      72 865        C-13-H3C-13-H2C-13-N
  400597.9301  0.0199 -5.6771 3  914.1640159  58516 30379 475      79 476        C-13-H3C-13-H2C-13-N
  400640.6758  0.0028 -4.7305 3  262.8711 55  58516 303271512      281415        C-13-H3C-13-H2C-13-N
  400640.6758  0.0028 -4.7305 3  262.8711 55  58516 303271513      281414        C-13-H3C-13-H2C-13-N
  400659.5690  0.0500 -4.1061 3 1002.5891 93 -58516 303463115      453114        C-13-H3C-13-H2C-13-N
  400659.5690  0.0500 -4.1061 3 1002.5891 93 -58516 303463116      453115        C-13-H3C-13-H2C-13-N
  400674.0165  0.0199 -4.8477 3  914.1615159  58516 30379 475      79 376        C-13-H3C-13-H2C-13-N
  400780.5002  0.0052 -4.6005 3  884.1777151  58516 303751065      75 966        C-13-H3C-13-H2C-13-N
  400897.8820  0.0300 -4.2240 3 1047.7380 93 -58516 303463214      453213        C-13-H3C-13-H2C-13-N
  400897.8820  0.0300 -4.2240 3 1047.7380 93 -58516 303463215      453214        C-13-H3C-13-H2C-13-N
  400913.3310  0.0300 -2.4417 3  326.4149 93 -58516 30346 640      45 639        C-13-H3C-13-H2C-13-N
  400925.8116  0.0075 -5.0772 3  192.2910 73  58516 30336 432      36 135        C-13-H3C-13-H2C-13-N
  400974.1904  0.0246 -5.2724 3 1206.2840181  58516 30390 784      90 685        C-13-H3C-13-H2C-13-N
  401007.0048  0.0063 -4.7173 3  950.8885157  58516 303781069      78 970        C-13-H3C-13-H2C-13-N
  401013.7320  0.0300 -2.4030 3  310.0108 93 -58516 30346 343      45 342        C-13-H3C-13-H2C-13-N
  401094.0916  0.0027 -4.7136 3  329.1082 65  58516 303321616      331519        C-13-H3C-13-H2C-13-N
  401094.0916  0.0027 -4.7136 3  329.1082 65  58516 303321617      331518        C-13-H3C-13-H2C-13-N
  401143.6590  0.0300 -4.3469 3 1094.1954 93 -58516 303463313      453312        C-13-H3C-13-H2C-13-N
  401143.6590  0.0300 -4.3469 3 1094.1954 93 -58516 303463314      453313        C-13-H3C-13-H2C-13-N
  401248.1480  0.0300 -3.4981 3  321.7113 97 -58516 30348 147      47 246        C-13-H3C-13-H2C-13-N
  401286.4529  0.0021 -3.6595 3   62.8132 37  58516 30318 613      17 512        C-13-H3C-13-H2C-13-N
  401289.3858  0.0021 -3.6595 3   62.8131 37  58516 30318 612      17 513        C-13-H3C-13-H2C-13-N
  401358.2220  0.0300 -3.8020 3  191.2718 73 -58516 30336 433      35 332        C-13-H3C-13-H2C-13-N
  401383.6800  0.0300 -2.4067 3  321.7113 97 -58516 30348 247      47 246        C-13-H3C-13-H2C-13-N
  401396.6314  0.0078 -4.4751 3 1141.9508 93  58516 303463412      453411        C-13-H3C-13-H2C-13-N
  401396.6314  0.0078 -4.4751 3 1141.9508 93  58516 303463413      453412        C-13-H3C-13-H2C-13-N
  401417.8630  0.0300 -2.4066 3  321.7057 97 -58516 30348 147      47 146        C-13-H3C-13-H2C-13-N
  401443.6673  0.0030 -5.9509 3   33.1926 31  58516 30315 412      14 213        C-13-H3C-13-H2C-13-N
  401451.4280  0.0300 -3.8180 3  351.7201 99 -58516 30349 346      48 445        C-13-H3C-13-H2C-13-N
  401487.2958  0.0028 -4.7516 3  404.0278 75  58516 303371720      381623        C-13-H3C-13-H2C-13-N
  401487.2958  0.0028 -4.7516 3  404.0278 75  58516 303371721      381622        C-13-H3C-13-H2C-13-N
  401553.3670  0.0300 -3.4974 3  321.7057 97 -58516 30348 247      47 146        C-13-H3C-13-H2C-13-N
  401584.8900  0.0231 -5.9282 3 1067.6075171  58516 30385 580      85 581        C-13-H3C-13-H2C-13-N
  401617.5701  0.0177 -5.5165 3  792.5190149  58516 30374 371      74 372        C-13-H3C-13-H2C-13-N
  401628.0625  0.0177 -4.7201 3  792.5187149  58516 30374 371      74 272        C-13-H3C-13-H2C-13-N
  401656.8012  0.0109 -4.6091 3 1190.9934 93  58516 303463511      453510        C-13-H3C-13-H2C-13-N
  401656.8012  0.0109 -4.6091 3 1190.9934 93  58516 303463512      453511        C-13-H3C-13-H2C-13-N
  401698.1016  0.0197 -4.8456 3  914.1640159  58516 30379 575      79 476        C-13-H3C-13-H2C-13-N
  401774.1880  0.0197 -5.6747 3  914.1615159  58516 30379 575      79 376        C-13-H3C-13-H2C-13-N
  401829.1148  0.0177 -4.7197 3  792.5190149  58516 30374 471      74 372        C-13-H3C-13-H2C-13-N
  401829.8556  0.0031 -4.8309 3  487.6242 85  58516 303421824      431727        C-13-H3C-13-H2C-13-N
  401829.8556  0.0031 -4.8309 3  487.6242 85  58516 303421825      431726        C-13-H3C-13-H2C-13-N
  401839.6072  0.0177 -5.5161 3  792.5187149  58516 30374 471      74 272        C-13-H3C-13-H2C-13-N
  401896.9514  0.0035 -4.9595 3  177.4218 69  58516 30334 529      34 232        C-13-H3C-13-H2C-13-N
  401903.7666  0.0343 -6.0101 3 1310.4408187  58516 30393 985      921082        C-13-H3C-13-H2C-13-N
  401916.8004  0.0034 -5.0044 3  167.5468 67  58516 30333 528      33 231        C-13-H3C-13-H2C-13-N
  401923.9775  0.0154 -4.7494 3 1241.3126 93  58516 303463610      4536 9        C-13-H3C-13-H2C-13-N
  401923.9775  0.0154 -4.7494 3 1241.3126 93  58516 303463611      453610        C-13-H3C-13-H2C-13-N
  401939.7805  0.0230 -5.0639 3 1067.5957171  58516 30385 580      85 481        C-13-H3C-13-H2C-13-N
  401967.9417  0.0031 -5.7659 3   42.7193 35  58516 30317 413      16 214        C-13-H3C-13-H2C-13-N
  402063.8798  0.0059 -4.6754 3  928.3206155  58516 303771068      77 969        C-13-H3C-13-H2C-13-N
  402131.4532  0.0032 -4.9440 3  579.8903 95  58516 303471928      481831        C-13-H3C-13-H2C-13-N
  402131.4532  0.0032 -4.9440 3  579.8903 95  58516 303471929      481830        C-13-H3C-13-H2C-13-N
  402153.4123  0.0046 -5.0024 3   95.5521 53  58516 30326 323      25 124        C-13-H3C-13-H2C-13-N
  402198.0285  0.0217 -4.8967 3 1292.8974 93  58516 3034637 9      4537 8        C-13-H3C-13-H2C-13-N
  402198.0285  0.0217 -4.8967 3 1292.8974 93  58516 303463710      4537 9        C-13-H3C-13-H2C-13-N
  402291.8968  0.0048 -5.4422 3  231.2484 79  58516 30339 534      39 337        C-13-H3C-13-H2C-13-N
  402374.3778  0.0264 -5.8270 3 1535.2647203  58516 303A1 993      A1 894        C-13-H3C-13-H2C-13-N
  402401.7033  0.0031 -5.0867 3  680.8184105  58516 303522032      531935        C-13-H3C-13-H2C-13-N
  402401.7033  0.0031 -5.0867 3  680.8184105  58516 303522033      531934        C-13-H3C-13-H2C-13-N
  402430.0351  0.0047 -4.5594 3  862.4546149  58516 303741064      74 965        C-13-H3C-13-H2C-13-N
  402478.8288  0.0305 -5.0521 3 1345.7367 93  58516 3034638 8      4538 7        C-13-H3C-13-H2C-13-N
  402478.8288  0.0305 -5.0521 3 1345.7367 93  58516 3034638 9      4538 8        C-13-H3C-13-H2C-13-N
  402640.1515  0.0323 -5.9415 3 1607.6463207  58516 303A31094      A3 995        C-13-H3C-13-H2C-13-N
  402644.0184  0.0240 -6.1758 3 1206.2283181  58516 30390 784      90 585        C-13-H3C-13-H2C-13-N
  402650.0275  0.0043 -5.2559 3  790.3995115  58516 303572136      582039        C-13-H3C-13-H2C-13-N
  402650.0275  0.0043 -5.2559 3  790.3995115  58516 303572137      582038        C-13-H3C-13-H2C-13-N
  402672.0325  0.0034 -5.0555 3  157.9430 65  58516 30332 527      32 230        C-13-H3C-13-H2C-13-N
  402680.8722  0.0036 -4.9212 3  187.5665 71  58516 30335 530      35 233        C-13-H3C-13-H2C-13-N
  402709.4700  0.0300 -3.6381 3   49.3459 27 -58516 30313 7 7      12 6 6        C-13-H3C-13-H2C-13-N
  402709.4700  0.0300 -3.6381 3   49.3459 27 -58516 30313 7 6      12 6 7        C-13-H3C-13-H2C-13-N
  402766.2595  0.0421 -5.2170 3 1399.8193 93  58516 3034639 7      4539 6        C-13-H3C-13-H2C-13-N
  402766.2595  0.0421 -5.2170 3 1399.8193 93  58516 3034639 8      4539 7        C-13-H3C-13-H2C-13-N
  402832.0515  0.0285 -5.5601 3 1379.9297193  58516 30396 889      96 790        C-13-H3C-13-H2C-13-N
  402885.5657  0.0087 -5.4499 3  908.6237125  58516 303622240      632143        C-13-H3C-13-H2C-13-N
  402885.5657  0.0087 -5.4499 3  908.6237125  58516 303622241      632142        C-13-H3C-13-H2C-13-N
  403010.0490  0.0300 -3.4136 3  325.4077 99 -58516 30349 049      48 148        C-13-H3C-13-H2C-13-N
  403012.4010  0.0500 -2.4009 3  325.4077 99 -58516 30349 149      48 148        C-13-H3C-13-H2C-13-N
  403012.9980  0.0500 -2.4009 3  325.4076 99 -58516 30349 049      48 048        C-13-H3C-13-H2C-13-N
  403015.3500  0.0500 -3.4136 3  325.4076 99 -58516 30349 149      48 048        C-13-H3C-13-H2C-13-N
  403060.2069  0.0573 -5.3935 3 1455.1340 93  58516 3034640 6      4540 5        C-13-H3C-13-H2C-13-N
  403060.2069  0.0573 -5.3935 3 1455.1340 93  58516 3034640 7      4540 6        C-13-H3C-13-H2C-13-N
  403114.6707  0.0054 -4.6341 3  906.0420153  58516 303761067      76 968        C-13-H3C-13-H2C-13-N
  403117.1097  0.0174 -5.6673 3 1035.4799135  58516 303672344      682247        C-13-H3C-13-H2C-13-N
  403117.1097  0.0174 -5.6673 3 1035.4799135  58516 303672345      682246        C-13-H3C-13-H2C-13-N
  403243.5113  0.0280 -6.2003 3 1433.7071195  58516 303971088      961185        C-13-H3C-13-H2C-13-N
  403353.0508  0.0312 -5.9069 3 1170.9564145  58516 303722448      732351        C-13-H3C-13-H2C-13-N
  403353.0508  0.0312 -5.9069 3 1170.9564145  58516 303722449      732350        C-13-H3C-13-H2C-13-N
  403360.5627  0.0770 -5.5848 3 1511.6694 93  58516 3034641 5      4541 4        C-13-H3C-13-H2C-13-N
  403360.5627  0.0770 -5.5848 3 1511.6694 93  58516 3034641 6      4541 5        C-13-H3C-13-H2C-13-N
  403411.1875  0.0310 -5.6848 3 1476.5189197  58516 303981187      981088        C-13-H3C-13-H2C-13-N
  403418.2890  0.0500 -3.6060 3  316.8028 95 -58516 30347 345      46 244        C-13-H3C-13-H2C-13-N
  403496.8632  0.0072 -4.6876 3  657.4286133  58516 30366 660      65 759        C-13-H3C-13-H2C-13-N
  403601.3366  0.0519 -6.1681 3 1315.0404155  58516 303772552      782455        C-13-H3C-13-H2C-13-N
  403601.3366  0.0519 -6.1681 3 1315.0404155  58516 303772553      782454        C-13-H3C-13-H2C-13-N
  403667.2231  0.1019 -5.7963 3 1569.4137 93  58516 3034642 4      4542 3        C-13-H3C-13-H2C-13-N
  403667.2231  0.1019 -5.7963 3 1569.4137 93  58516 3034642 5      4542 4        C-13-H3C-13-H2C-13-N
  403831.7029  0.0121 -5.8621 3  880.7437153  58516 30376 869      76 670        C-13-H3C-13-H2C-13-N
  403857.5330  0.0300 -3.6089 3   44.5948 17 -58516 303 8 8 0       7 7 1        C-13-H3C-13-H2C-13-N
  403857.5330  0.0300 -3.6089 3   44.5948 17 -58516 303 8 8 1       7 7 0        C-13-H3C-13-H2C-13-N
  403951.8530  0.0044 -4.5192 3  841.0254147  58516 303731063      73 964        C-13-H3C-13-H2C-13-N
  403980.0895  0.1332 -6.0385 3 1628.3555 93  58516 3034643 3      4543 2        C-13-H3C-13-H2C-13-N
  403980.0895  0.1332 -6.0385 3 1628.3555 93  58516 3034643 4      4543 3        C-13-H3C-13-H2C-13-N
  404068.9700  0.0300 -3.7963 3  201.8845 75 -58516 30337 434      36 333        C-13-H3C-13-H2C-13-N
  404089.5631  0.0034 -5.1126 3  148.6121 63  58516 30331 526      31 229        C-13-H3C-13-H2C-13-N
  404153.5287  0.0051 -4.5936 3  884.0528151  58516 303751066      75 967        C-13-H3C-13-H2C-13-N
  404331.3287  0.0038 -4.8897 3  197.9798 73  58516 30336 531      36 234        C-13-H3C-13-H2C-13-N
  404533.7576  0.0308 -5.3715 3 1258.1702185  58516 30392 686      92 587        C-13-H3C-13-H2C-13-N
  404688.0460  0.0300 -2.4163 3  319.2448 93 -58516 30346 541      45 540        C-13-H3C-13-H2C-13-N
  404754.7886  0.0092 -4.8132 3   77.6017 49  58516 30324 222      23 123        C-13-H3C-13-H2C-13-N
  405112.6465  0.0344 -5.9954 3 1637.5339209  58516 303A41095      A4 996        C-13-H3C-13-H2C-13-N
  405175.3962  0.0047 -4.5538 3  862.3534149  58516 303741065      74 966        C-13-H3C-13-H2C-13-N
  405180.4710  0.0300 -2.4154 3  324.4125 95 -58516 30347 444      46 443        C-13-H3C-13-H2C-13-N
  405284.0050  0.0300 -3.6142 3  330.2594 97 -58516 30348 246      47 345        C-13-H3C-13-H2C-13-N
  405357.0754  0.0037 -5.3814 3  216.5482 75  58516 30337 632      37 433        C-13-H3C-13-H2C-13-N
  405358.2086  0.0040 -4.4800 3  819.8897145  58516 303721062      72 963        C-13-H3C-13-H2C-13-N
  405532.4538  0.0221 -5.0566 3 1067.6075171  58516 30385 680      85 581        C-13-H3C-13-H2C-13-N
  405656.4970  0.0252 -5.4586 3  698.0969141  58516 30370 268      70 269        C-13-H3C-13-H2C-13-N
  405657.0623  0.0063 -4.2065 3  103.3862 55  58516 30327 324      26 225        C-13-H3C-13-H2C-13-N
  405657.2950  0.0252 -4.6930 3  698.0969141  58516 30370 268      70 169        C-13-H3C-13-H2C-13-N
  405681.8874  0.0252 -4.6929 3  698.0969141  58516 30370 368      70 269        C-13-H3C-13-H2C-13-N
  405682.6853  0.0252 -5.4586 3  698.0969141  58516 30370 368      70 169        C-13-H3C-13-H2C-13-N
  405887.3443  0.0220 -5.9198 3 1067.5957171  58516 30385 680      85 481        C-13-H3C-13-H2C-13-N
  405949.3387  0.0090 -5.5201 3   77.5618 49  58516 30324 222      23 023        C-13-H3C-13-H2C-13-N
  406092.8828  0.0036 -5.1754 3  139.5559 61  58516 30330 525      30 228        C-13-H3C-13-H2C-13-N
  406175.9678  0.0043 -4.5147 3  840.9437147  58516 303731064      73 965        C-13-H3C-13-H2C-13-N
  406362.2140  0.0300 -3.6954 3   91.7572 49 -58516 30324 520      23 419        C-13-H3C-13-H2C-13-N
  406527.8427  0.0067 -6.0948 3   65.1285 43  58516 30321 418      21 121        C-13-H3C-13-H2C-13-N
  406660.1074  0.0037 -4.4417 3  799.0468143  58516 303711061      71 962        C-13-H3C-13-H2C-13-N
  406666.6250  0.0300 -2.4002 3  314.4482 93 -58516 30346 442      45 441        C-13-H3C-13-H2C-13-N
  406689.9230  0.0300 -2.6792 3  437.7683 95 -58516 303471334      461333        C-13-H3C-13-H2C-13-N
  406689.9230  0.0300 -2.6792 3  437.7683 95 -58516 303471335      461334        C-13-H3C-13-H2C-13-N
  406700.6180  0.0300 -2.7266 3  457.7890 95 -58516 303471433      461432        C-13-H3C-13-H2C-13-N
  406700.6180  0.0300 -2.7266 3  457.7890 95 -58516 303471434      461433        C-13-H3C-13-H2C-13-N
  406714.7790  0.0300 -2.6352 3  419.2215 95 -58516 303471235      461234        C-13-H3C-13-H2C-13-N
  406714.7790  0.0300 -2.6352 3  419.2215 95 -58516 303471236      461235        C-13-H3C-13-H2C-13-N
  406735.5533  0.0032 -3.7902 3  212.7835 77  58516 30338 435      37 334        C-13-H3C-13-H2C-13-N
  406739.6060  0.0500 -2.7776 3  479.2753 95 -58516 303471532      461531        C-13-H3C-13-H2C-13-N
  406739.6060  0.0500 -2.7776 3  479.2753 95 -58516 303471533      461532        C-13-H3C-13-H2C-13-N
  406786.1450  0.0500 -2.5947 3  402.1575 95 -58516 303471137      461136        C-13-H3C-13-H2C-13-N
  406786.1450  0.0500 -2.5947 3  402.1575 95 -58516 303471136      461135        C-13-H3C-13-H2C-13-N
  406801.9260  0.0500 -2.8321 3  502.2195 95 -58516 303471631      461630        C-13-H3C-13-H2C-13-N
  406801.9260  0.0500 -2.8321 3  502.2195 95 -58516 303471632      461631        C-13-H3C-13-H2C-13-N
  406883.9530  0.0300 -2.8901 3  526.6141 95 -58516 303471730      461729        C-13-H3C-13-H2C-13-N
  406883.9530  0.0300 -2.8901 3  526.6141 95 -58516 303471731      461730        C-13-H3C-13-H2C-13-N
  406904.9537  0.0040 -4.8649 3  208.6608 75  58516 30337 532      37 235        C-13-H3C-13-H2C-13-N
  406920.9680  0.0300 -2.5576 3  386.5874 95 -58516 303471038      461037        C-13-H3C-13-H2C-13-N
  406920.9680  0.0300 -2.5576 3  386.5874 95 -58516 303471037      461036        C-13-H3C-13-H2C-13-N
  406955.7358  0.0490 -5.5440 3  608.8007133  58516 30366 165      66 166        C-13-H3C-13-H2C-13-N
  406955.7670  0.0490 -4.8065 3  608.8007133  58516 30366 165      66 066        C-13-H3C-13-H2C-13-N
  406957.7984  0.0490 -4.8065 3  608.8007133  58516 30366 265      66 166        C-13-H3C-13-H2C-13-N
  406957.8295  0.0490 -5.5440 3  608.8007133  58516 30366 265      66 066        C-13-H3C-13-H2C-13-N
  406983.0810  0.0500 -2.9517 3  552.4517 95 -58516 303471829      461828        C-13-H3C-13-H2C-13-N
  406983.0810  0.0500 -2.9517 3  552.4517 95 -58516 303471830      461829        C-13-H3C-13-H2C-13-N
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  407417.9556  0.0210 -4.8801 3  936.6147161  58516 30380 476      80 377        C-13-H3C-13-H2C-13-N
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  407681.2960  0.0500 -3.3139 3  703.0139 95 -58516 303472325      462324        C-13-H3C-13-H2C-13-N
  407682.0023  0.0263 -5.6965 3 1180.0567177  58516 30388 979      871078        C-13-H3C-13-H2C-13-N
  407696.3020  0.0300 -3.6934 3   91.7156 49 -58516 30324 519      23 420        C-13-H3C-13-H2C-13-N
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  407854.7600  0.0500 -3.3973 3  737.3445 95 -58516 303472424      462423        C-13-H3C-13-H2C-13-N
  407867.3784  0.0035 -4.4043 3  778.4965141  58516 303701060      70 961        C-13-H3C-13-H2C-13-N
  407870.1365  0.0032 -5.6848 3   47.7302 37  58516 30318 414      17 215        C-13-H3C-13-H2C-13-N
  407927.0705  0.0281 -5.6229 3 1448.0887195  58516 303971186      971087        C-13-H3C-13-H2C-13-N
  407939.3290  0.0388 -6.0591 3 1337.3727189  58516 30394 986      931083        C-13-H3C-13-H2C-13-N
  407995.0261  0.0295 -6.0711 3 1378.5221191  58516 303951085      941184        C-13-H3C-13-H2C-13-N
  408038.0210  0.0500 -3.4846 3  773.0613 95 -58516 303472522      462521        C-13-H3C-13-H2C-13-N
  408038.0210  0.0500 -3.4846 3  773.0613 95 -58516 303472523      462522        C-13-H3C-13-H2C-13-N
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  408140.5132  0.0425 -5.7783 3 1492.0003201  58516 303A0 793      A0 694        C-13-H3C-13-H2C-13-N
  408142.6390  0.0032 -5.2237 3  151.2628 33  58516 3031613 3      1712 6        C-13-H3C-13-H2C-13-N
  408142.6390  0.0032 -5.2237 3  151.2628 33  58516 3031613 4      1712 5        C-13-H3C-13-H2C-13-N
  408160.6441  0.0189 -5.5451 3  813.4138151  58516 30375 372      75 373        C-13-H3C-13-H2C-13-N
  408169.0474  0.0189 -4.7496 3  813.4135151  58516 30375 372      75 273        C-13-H3C-13-H2C-13-N
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  408230.7000  0.0300 -3.5756 3  810.1552 95 -58516 303472621      462620        C-13-H3C-13-H2C-13-N
  408230.7000  0.0300 -3.5756 3  810.1552 95 -58516 303472622      462621        C-13-H3C-13-H2C-13-N
  408269.4795  0.0208 -4.8783 3  936.6168161  58516 30380 576      80 477        C-13-H3C-13-H2C-13-N
  408331.3690  0.0208 -5.7059 3  936.6147161  58516 30380 576      80 377        C-13-H3C-13-H2C-13-N
  408333.3191  0.0188 -4.7493 3  813.4138151  58516 30375 472      75 373        C-13-H3C-13-H2C-13-N
  408341.7224  0.0188 -5.5447 3  813.4135151  58516 30375 472      75 273        C-13-H3C-13-H2C-13-N
  408376.6600  0.0300 -2.4105 3  330.1562 97 -58516 30348 246      47 245        C-13-H3C-13-H2C-13-N
  408432.3800  0.0500 -3.6706 3  848.6172 95 -58516 303472720      462719        C-13-H3C-13-H2C-13-N
  408432.3800  0.0500 -3.6706 3  848.6172 95 -58516 303472721      462720        C-13-H3C-13-H2C-13-N
  408603.5437  0.0037 -5.2434 3  130.7764 59  58516 30329 524      29 227        C-13-H3C-13-H2C-13-N
  408642.8730  0.0300 -3.7696 3  888.4377 95 -58516 303472819      462818        C-13-H3C-13-H2C-13-N
  408642.8730  0.0300 -3.7696 3  888.4377 95 -58516 303472820      462819        C-13-H3C-13-H2C-13-N
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  408731.1685  0.0031 -4.8772 3  198.6771 43  58516 3032114 8      2213 9        C-13-H3C-13-H2C-13-N
  408786.6216  0.0304 -5.6046 3 1407.5739195  58516 30397 890      97 791        C-13-H3C-13-H2C-13-N
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  408861.7950  0.0300 -3.8726 3  929.6071 95 -58516 303472919      462918        C-13-H3C-13-H2C-13-N
  408988.7620  0.0032 -4.3677 3  758.2384139  58516 303691059      69 960        C-13-H3C-13-H2C-13-N
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  409085.4392  0.0241 -5.0993 3 1091.8739173  58516 30386 581      86 482        C-13-H3C-13-H2C-13-N
  409088.9350  0.0300 -3.9798 3  972.1158 95 -58516 303473017      463016        C-13-H3C-13-H2C-13-N
  409088.9350  0.0300 -3.9798 3  972.1158 95 -58516 303473018      463017        C-13-H3C-13-H2C-13-N
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  409239.3494  0.0029 -4.7465 3  254.7821 53  58516 303261512      271413        C-13-H3C-13-H2C-13-N
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  409324.1270  0.0500 -4.0913 3 1015.9537 95 -58516 303473117      463116        C-13-H3C-13-H2C-13-N
  409348.0390  0.0300 -3.8349 3  115.8961 57 -58516 30328 424      27 325        C-13-H3C-13-H2C-13-N
  409401.5200  0.0500 -3.4971 3  335.1001 99 -58516 30349 148      48 247        C-13-H3C-13-H2C-13-N
  409402.2950  0.0031 -3.7837 3  223.9666 79  58516 30339 436      38 335        C-13-H3C-13-H2C-13-N
  409509.5950  0.0300 -2.4085 3  335.1001 99 -58516 30349 248      48 247        C-13-H3C-13-H2C-13-N
  409537.0130  0.0300 -2.4084 3  335.0955 99 -58516 30349 148      48 147        C-13-H3C-13-H2C-13-N
  409567.1190  0.0300 -4.2074 3 1061.1105 95 -58516 303473215      463214        C-13-H3C-13-H2C-13-N
  409567.1190  0.0300 -4.2074 3 1061.1105 95 -58516 303473216      463215        C-13-H3C-13-H2C-13-N
  409645.0990  0.0300 -3.4966 3  335.0955 99 -58516 30349 248      48 147        C-13-H3C-13-H2C-13-N
  409675.2535  0.0028 -4.7133 3  319.5747 63  58516 303311615      321518        C-13-H3C-13-H2C-13-N
  409675.2535  0.0028 -4.7133 3  319.5747 63  58516 303311616      321517        C-13-H3C-13-H2C-13-N
  409817.7570  0.0300 -4.3281 3 1107.5761 95 -58516 303473314      463313        C-13-H3C-13-H2C-13-N
  409817.7570  0.0300 -4.3281 3 1107.5761 95 -58516 303473315      463314        C-13-H3C-13-H2C-13-N
  409822.0201  0.0050 -5.4561 3  242.6663 81  58516 30340 535      40 338        C-13-H3C-13-H2C-13-N
  409865.4300  0.0300 -2.4410 3  339.7879 95 -58516 30347 641      46 640        C-13-H3C-13-H2C-13-N
  409882.9476  0.0021 -3.6415 3   68.0142 39  58516 30319 614      18 513        C-13-H3C-13-H2C-13-N
  409888.1326  0.0021 -3.6415 3   68.0140 39  58516 30319 613      18 514        C-13-H3C-13-H2C-13-N
  409902.7707  0.0033 -4.3658 3  758.2052139  58516 303691060      69 961        C-13-H3C-13-H2C-13-N
  410032.0090  0.0300 -4.3320 3  738.2722137 -58516 303681058      68 959        C-13-H3C-13-H2C-13-N
  410047.7970  0.0300 -4.7404 3  393.0503 73 -58516 303361719      371622        C-13-H3C-13-H2C-13-N
  410047.7970  0.0300 -4.7404 3  393.0503 73 -58516 303361720      371621        C-13-H3C-13-H2C-13-N
  410075.8726  0.0076 -4.4539 3 1155.3399 95  58516 303473413      463412        C-13-H3C-13-H2C-13-N
  410075.8726  0.0076 -4.4539 3 1155.3399 95  58516 303473414      463413        C-13-H3C-13-H2C-13-N
  410274.7451  0.0120 -5.8388 3  858.5214151  58516 30375 868      75 669        C-13-H3C-13-H2C-13-N
  410341.2988  0.0106 -4.5849 3 1204.3912 95  58516 303473512      463511        C-13-H3C-13-H2C-13-N
  410341.2988  0.0106 -4.5849 3 1204.3912 95  58516 303473513      463512        C-13-H3C-13-H2C-13-N
  410366.5657  0.0031 -4.8114 3  475.2033 83  58516 303411823      421726        C-13-H3C-13-H2C-13-N
  410366.5657  0.0031 -4.8114 3  475.2033 83  58516 303411824      421725        C-13-H3C-13-H2C-13-N
  410406.6800  0.0036 -5.3905 3  205.6644 73  58516 30336 631      36 432        C-13-H3C-13-H2C-13-N
  410452.1093  0.0042 -4.8471 3  219.6090 77  58516 30338 533      38 236        C-13-H3C-13-H2C-13-N
  410613.8973  0.0152 -4.7217 3 1254.7193 95  58516 303473611      463610        C-13-H3C-13-H2C-13-N
  410613.8973  0.0152 -4.7217 3 1254.7193 95  58516 303473612      463611        C-13-H3C-13-H2C-13-N
  410641.0204  0.0032 -4.9179 3  566.0272 93  58516 303461927      471830        C-13-H3C-13-H2C-13-N
  410641.0204  0.0032 -4.9179 3  566.0272 93  58516 303461928      471829        C-13-H3C-13-H2C-13-N
  410755.0999  0.0031 -4.3305 3  738.2460137  58516 303681059      68 960        C-13-H3C-13-H2C-13-N
  410796.4307  0.0396 -6.1043 3 1698.1206213  58516 303A61097      A6 998        C-13-H3C-13-H2C-13-N
  410880.8130  0.0300 -5.0548 3  665.5142103 -58516 303512031      521934        C-13-H3C-13-H2C-13-N
  410880.8130  0.0300 -5.0548 3  665.5142103 -58516 303512032      521933        C-13-H3C-13-H2C-13-N
  410893.5311  0.0216 -4.8648 3 1306.3132 95  58516 303473710      4637 9        C-13-H3C-13-H2C-13-N
  410893.5311  0.0216 -4.8648 3 1306.3132 95  58516 303473711      463710        C-13-H3C-13-H2C-13-N
  410930.3380  0.0300 -3.6018 3  330.1562 97 -58516 30348 346      47 245        C-13-H3C-13-H2C-13-N
  411003.9603  0.0028 -4.2971 3  718.5975135  58516 303671057      67 958        C-13-H3C-13-H2C-13-N
  411095.3561  0.0042 -5.2191 3  773.6557113  58516 303562135      572038        C-13-H3C-13-H2C-13-N
  411095.3561  0.0042 -5.2191 3  773.6557113  58516 303562136      572037        C-13-H3C-13-H2C-13-N
  411105.6138  0.0030 -5.8684 3   37.4953 33  58516 30316 413      15 214        C-13-H3C-13-H2C-13-N
  411136.8900  0.0500 -3.4150 3  338.8507101 -58516 30350 050      49 149        C-13-H3C-13-H2C-13-N
  411138.7134  0.0023 -2.4030 3  338.8507101  58516 30350 150      49 149        C-13-H3C-13-H2C-13-N
  411139.2280  0.0023 -2.4030 3  338.8507101  58516 30350 050      49 049        C-13-H3C-13-H2C-13-N
  411141.0690  0.0500 -3.4150 3  338.8507101 -58516 30350 150      49 049        C-13-H3C-13-H2C-13-N
  411180.0701  0.0305 -5.0149 3 1359.1619 95  58516 3034738 9      4638 8        C-13-H3C-13-H2C-13-N
  411180.0701  0.0305 -5.0149 3 1359.1619 95  58516 303473810      4638 9        C-13-H3C-13-H2C-13-N
  411293.8595  0.0087 -5.4085 3  890.4419123  58516 303612239      622142        C-13-H3C-13-H2C-13-N
  411293.8595  0.0087 -5.4085 3  890.4419123  58516 303612240      622141        C-13-H3C-13-H2C-13-N
  411362.9900  0.0500 -3.6175 3   53.0987 29 -58516 30314 7 8      13 6 7        C-13-H3C-13-H2C-13-N
  411362.9900  0.0500 -3.6175 3   53.0987 29 -58516 30314 7 7      13 6 8        C-13-H3C-13-H2C-13-N
  411473.3907  0.0423 -5.1730 3 1413.2542 95  58516 3034739 8      4639 7        C-13-H3C-13-H2C-13-N
  411473.3907  0.0423 -5.1730 3 1413.2542 95  58516 3034739 9      4639 8        C-13-H3C-13-H2C-13-N
  411485.1749  0.0173 -5.6215 3 1015.8621133  58516 303662343      672246        C-13-H3C-13-H2C-13-N
  411485.1749  0.0173 -5.6215 3 1015.8621133  58516 303662344      672245        C-13-H3C-13-H2C-13-N
  411542.6895  0.0039 -5.3163 3  122.2757 57  58516 30328 523      28 226        C-13-H3C-13-H2C-13-N
  411573.2170  0.0300 -4.2959 3  718.5770135 -58516 303671058      67 959        C-13-H3C-13-H2C-13-N
  411677.7805  0.0311 -5.8572 3 1149.9047143  58516 303712447      722350        C-13-H3C-13-H2C-13-N
  411677.7805  0.0311 -5.8572 3 1149.9047143  58516 303712448      722349        C-13-H3C-13-H2C-13-N
  411773.3751  0.0578 -5.3406 3 1468.5787 95  58516 3034740 7      4640 6        C-13-H3C-13-H2C-13-N
  411773.3751  0.0578 -5.3406 3 1468.5787 95  58516 3034740 8      4640 7        C-13-H3C-13-H2C-13-N
  411812.3910  0.0050 -5.1267 3   53.6572 41  58516 30320 318      19 019        C-13-H3C-13-H2C-13-N
  411879.7259  0.0518 -6.1145 3 1292.5570153  58516 303762551      772454        C-13-H3C-13-H2C-13-N
  411879.7259  0.0518 -6.1145 3 1292.5570153  58516 303762552      772453        C-13-H3C-13-H2C-13-N
  411880.9030  0.0213 -5.3413 3  996.8911163  58516 30381 873      80 972        C-13-H3C-13-H2C-13-N
  411910.6810  0.0300 -4.2630 3  699.2143133 -58516 303661056      66 957        C-13-H3C-13-H2C-13-N
  412079.9109  0.0777 -5.5197 3 1525.1240 95  58516 3034741 6      4641 5        C-13-H3C-13-H2C-13-N
  412079.9109  0.0777 -5.5197 3 1525.1240 95  58516 3034741 7      4641 6        C-13-H3C-13-H2C-13-N
  412108.1912  0.0267 -5.4853 3  717.7009143  58516 30371 269      71 270        C-13-H3C-13-H2C-13-N
  412108.8201  0.0267 -4.7201 3  717.7009143  58516 30371 269      71 170        C-13-H3C-13-H2C-13-N
  412114.4090  0.0300 -3.7769 3  235.4314 81 -58516 30340 437      39 336        C-13-H3C-13-H2C-13-N
  412125.0287  0.0233 -5.0933 3 1091.8837173  58516 30386 681      86 582        C-13-H3C-13-H2C-13-N
  412128.5631  0.0267 -4.7201 3  717.7009143  58516 30371 369      71 270        C-13-H3C-13-H2C-13-N
  412129.1920  0.0267 -5.4853 3  717.7009143  58516 30371 369      71 170        C-13-H3C-13-H2C-13-N
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  412712.2129  0.1349 -5.9278 3 1641.8308 95  58516 3034743 5      4643 4        C-13-H3C-13-H2C-13-N
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  413037.7789  0.1746 -6.1725 3 1701.9688 95  58516 3034744 4      4644 3        C-13-H3C-13-H2C-13-N
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  413874.9510  0.0279 -5.3530 3 1258.2093185  58516 30392 786      92 687        C-13-H3C-13-H2C-13-N
  413881.3060  0.0300 -3.6090 3  343.8634 99 -58516 30349 247      48 346        C-13-H3C-13-H2C-13-N
  414003.8482  0.0429 -6.1592 3 1728.8181215  58516 303A71098      A7 999        C-13-H3C-13-H2C-13-N
  414076.4479  0.0222 -5.7396 3  959.3374163  58516 30381 477      81 478        C-13-H3C-13-H2C-13-N
  414126.7607  0.0222 -4.9133 3  959.3357163  58516 30381 477      81 378        C-13-H3C-13-H2C-13-N
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  414497.6500  0.0300 -4.1654 3  642.8031127 -58516 303631054      63 955        C-13-H3C-13-H2C-13-N
  414563.1186  0.0070 -6.0499 3   71.2284 45  58516 30322 419      22 122        C-13-H3C-13-H2C-13-N
  414688.0260  0.0201 -5.5745 3  834.5772153  58516 30376 373      76 374        C-13-H3C-13-H2C-13-N
  414694.7537  0.0201 -4.7800 3  834.5769153  58516 30376 373      76 274        C-13-H3C-13-H2C-13-N
  414828.8617  0.0200 -4.7797 3  834.5772153  58516 30376 473      76 374        C-13-H3C-13-H2C-13-N
  414832.4708  0.0040 -5.3938 3  114.0559 55  58516 30327 522      27 225        C-13-H3C-13-H2C-13-N
  414833.9724  0.0220 -4.9119 3  959.3374163  58516 30381 577      81 478        C-13-H3C-13-H2C-13-N
  414835.5895  0.0200 -5.5742 3  834.5769153  58516 30376 473      76 274        C-13-H3C-13-H2C-13-N
  414844.2353  0.0326 -5.6498 3 1435.4836197  58516 30398 891      98 792        C-13-H3C-13-H2C-13-N
  414884.2853  0.0220 -5.7380 3  959.3357163  58516 30381 577      81 378        C-13-H3C-13-H2C-13-N
  414917.1950  0.0300 -3.7699 3  247.1757 83 -58516 30341 438      40 337        C-13-H3C-13-H2C-13-N
  414983.1590  0.0300 -4.1350 3  624.5908125 -58516 303621052      62 953        C-13-H3C-13-H2C-13-N
  415017.0016  0.0044 -4.8360 3  230.8239 79  58516 30339 534      39 237        C-13-H3C-13-H2C-13-N
  415061.0717  0.0036 -5.4010 3  195.0853 71  58516 30335 630      35 431        C-13-H3C-13-H2C-13-N
  415077.3668  0.0077 -5.1084 3  202.7027 75  58516 30337 433      37 136        C-13-H3C-13-H2C-13-N
  415142.5530  0.0300 -4.1347 3  624.5851125 -58516 303621053      62 954        C-13-H3C-13-H2C-13-N
  415294.3940  0.0300 -2.4011 3  328.0131 95 -58516 30347 443      46 442        C-13-H3C-13-H2C-13-N
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  415322.9570  0.0300 -2.6788 3  451.3340 97 -58516 303481336      471335        C-13-H3C-13-H2C-13-N
  415329.4520  0.0300 -2.7261 3  471.3551 97 -58516 303481434      471433        C-13-H3C-13-H2C-13-N
  415329.4520  0.0300 -2.7261 3  471.3551 97 -58516 303481435      471434        C-13-H3C-13-H2C-13-N
  415353.9770  0.0300 -2.6351 3  432.7880 97 -58516 303481236      471235        C-13-H3C-13-H2C-13-N
  415353.9770  0.0300 -2.6351 3  432.7880 97 -58516 303481237      471236        C-13-H3C-13-H2C-13-N
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  415365.7180  0.0300 -2.7768 3  492.8426 97 -58516 303481534      471533        C-13-H3C-13-H2C-13-N
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  415507.7720  0.0300 -2.8887 3  540.1863 97 -58516 303481732      471731        C-13-H3C-13-H2C-13-N
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  415606.9820  0.0300 -2.9499 3  566.0272 97 -58516 303481831      471830        C-13-H3C-13-H2C-13-N
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  415694.7202  0.0051 -5.4383 3  484.3920113  58516 30356 750      56 551        C-13-H3C-13-H2C-13-N
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  415734.9172  0.0046 -4.3686 3  539.4104121  58516 30360 555      59 654        C-13-H3C-13-H2C-13-N
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  415826.9183  0.0011 -2.5244 3  386.1066 97  58516 30348 940      47 939        C-13-H3C-13-H2C-13-N
  415827.5680  0.0011 -2.5244 3  386.1066 97  58516 30348 939      47 938        C-13-H3C-13-H2C-13-N
  415851.2080  0.0300 -3.0830 3  622.0090 97 -58516 303482028      472027        C-13-H3C-13-H2C-13-N
  415851.2080  0.0300 -3.0830 3  622.0090 97 -58516 303482029      472028        C-13-H3C-13-H2C-13-N
  415913.2525  0.0253 -5.9955 3 1116.4268175  58516 30387 582      87 583        C-13-H3C-13-H2C-13-N
  415984.8150  0.0300 -2.4143 3  343.8634 99 -58516 30349 347      48 346        C-13-H3C-13-H2C-13-N
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  415993.4670  0.0300 -3.1549 3  652.1342 97 -58516 303482128      472127        C-13-H3C-13-H2C-13-N
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  416240.6704  0.0020 -4.0759 3  589.0226121  58516 303601050      60 951        C-13-H3C-13-H2C-13-N
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  416489.6030  0.0300 -3.3924 3  750.9491 97 -58516 303482425      472424        C-13-H3C-13-H2C-13-N
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  416675.9390  0.0300 -3.4789 3  786.6720 97 -58516 303482524      472523        C-13-H3C-13-H2C-13-N
  416762.8790  0.0300 -2.4268 3  345.2684 97 -58516 30348 544      47 543        C-13-H3C-13-H2C-13-N
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  416769.4931  0.0033 -5.3911 3  146.3525 31  58516 3031513 3      1612 4        C-13-H3C-13-H2C-13-N
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  416820.6807  0.0443 -5.8203 3 1520.7203203  58516 303A1 794      A1 695        C-13-H3C-13-H2C-13-N
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  417291.6050  0.0300 -3.7612 3  902.0685 97 -58516 303482821      472820        C-13-H3C-13-H2C-13-N
  417344.0920  0.0300 -4.0199 3  554.6157117 -58516 303581048      58 949        C-13-H3C-13-H2C-13-N
  417346.0417  0.0032 -4.9350 3  192.3218 41  58516 3032014 6      2113 9        C-13-H3C-13-H2C-13-N
  417346.0417  0.0032 -4.9350 3  192.3218 41  58516 3032014 7      2113 8        C-13-H3C-13-H2C-13-N
  417374.6990  0.0300 -2.4442 3  353.2627 97 -58516 30348 643      47 642        C-13-H3C-13-H2C-13-N
  417396.2820  0.0300 -4.0198 3  554.6138117 -58516 303581049      58 950        C-13-H3C-13-H2C-13-N
  417469.5904  0.0321 -5.9764 3 1623.6086209  58516 303A4 996      A4 897        C-13-H3C-13-H2C-13-N
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  417514.6240  0.0300 -3.8631 3  943.2453 97 -58516 303482920      472919        C-13-H3C-13-H2C-13-N
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  417633.2250  0.0300 -2.4114 3  348.7598101 -58516 30350 249      49 248        C-13-H3C-13-H2C-13-N
  417655.1740  0.0300 -2.4113 3  348.7562101 -58516 30350 149      49 148        C-13-H3C-13-H2C-13-N
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  417746.1040  0.0300 -3.9690 3  985.7615 97 -58516 303483019      473018        C-13-H3C-13-H2C-13-N
  417839.7565  0.0030 -4.7685 3  246.9819 51  58516 303251510      261413        C-13-H3C-13-H2C-13-N
  417839.7565  0.0030 -4.7685 3  246.9819 51  58516 303251511      261412        C-13-H3C-13-H2C-13-N
  417843.8620  0.0300 -3.9932 3  537.8474115 -58516 303571047      57 948        C-13-H3C-13-H2C-13-N
  417855.2330  0.0300 -3.7627 3  259.1970 85 -58516 30342 439      41 338        C-13-H3C-13-H2C-13-N
  417882.6830  0.0300 -3.9931 3  537.8460115 -58516 303571048      57 949        C-13-H3C-13-H2C-13-N
  417985.7410  0.0300 -4.0792 3 1029.6072 97 -58516 303483117      473116        C-13-H3C-13-H2C-13-N
  417985.7410  0.0300 -4.0792 3 1029.6072 97 -58516 303483118      473117        C-13-H3C-13-H2C-13-N
  418055.3531  0.0141 -5.0007 3  829.0526149  58516 30374 767      73 866        C-13-H3C-13-H2C-13-N
  418091.8867  0.0125 -5.6982 3  147.2266 65  58516 30332 329      32 032        C-13-H3C-13-H2C-13-N
  418197.7610  0.0052 -5.4738 3  254.3589 83  58516 30341 536      41 339        C-13-H3C-13-H2C-13-N
  418233.4340  0.0300 -4.1936 3 1074.7722 97 -58516 303483216      473215        C-13-H3C-13-H2C-13-N
  418233.4340  0.0300 -4.1936 3 1074.7722 97 -58516 303483217      473216        C-13-H3C-13-H2C-13-N
  418258.4700  0.1000 -4.7167 3  310.3296 61 -58516 303301614      311517        C-13-H3C-13-H2C-13-N
  418258.4700  0.1000 -4.7167 3  310.3296 61 -58516 303301615      311516        C-13-H3C-13-H2C-13-N
  418286.3643  0.0500 -6.1665 3 1392.1314193  58516 30396 988      951085        C-13-H3C-13-H2C-13-N
  418311.4950  0.0300 -3.9672 3  521.3692113 -58516 303561046      56 947        C-13-H3C-13-H2C-13-N
  418340.2680  0.0300 -3.9672 3  521.3682113 -58516 303561047      56 948        C-13-H3C-13-H2C-13-N
  418397.2251  0.0042 -5.4756 3  106.1191 53  58516 30326 521      26 224        C-13-H3C-13-H2C-13-N
  418465.5236  0.0020 -3.6248 3   73.5051 41  58516 30320 615      19 514        C-13-H3C-13-H2C-13-N
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  419544.5267  0.0042 -5.1837 3  757.1987111  58516 303552135      562036        C-13-H3C-13-H2C-13-N
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  419585.9742  0.0215 -4.8380 3 1320.0192 97  58516 303483712      473711        C-13-H3C-13-H2C-13-N
  419655.2879  0.0208 -5.4451 3 1364.6026189  58516 303941183      941084        C-13-H3C-13-H2C-13-N
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  419857.9905  0.0172 -5.5771 3  996.5301131  58516 303652343      662244        C-13-H3C-13-H2C-13-N
  419878.2292  0.0305 -4.9839 3 1372.8774 97  58516 303483810      4738 9        C-13-H3C-13-H2C-13-N
  419878.2292  0.0305 -4.9839 3 1372.8774 97  58516 303483811      473810        C-13-H3C-13-H2C-13-N
  419895.4320  0.0300 -3.8715 3  458.3552105 -58516 303521042      52 943        C-13-H3C-13-H2C-13-N
  419903.5430  0.0300 -3.8715 3  458.3550105 -58516 303521043      52 944        C-13-H3C-13-H2C-13-N
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  420007.7224  0.0310 -5.8086 3 1129.1381141  58516 303702447      712348        C-13-H3C-13-H2C-13-N
  420013.7200  0.0300 -3.5979 3   57.1405 31 -58516 30315 7 9      14 6 8        C-13-H3C-13-H2C-13-N
  420013.7200  0.0300 -3.5979 3   57.1405 31 -58516 30315 7 8      14 6 9        C-13-H3C-13-H2C-13-N
  420015.2632  0.0336 -5.4498 3 1311.1713189  58516 30394 688      94 589        C-13-H3C-13-H2C-13-N
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  420163.7881  0.0517 -6.0621 3 1270.3581151  58516 303752551      762452        C-13-H3C-13-H2C-13-N
  420177.4175  0.0425 -5.1367 3 1426.9795 97  58516 3034839 9      4739 8        C-13-H3C-13-H2C-13-N
  420177.4175  0.0425 -5.1367 3 1426.9795 97  58516 303483910      4739 9        C-13-H3C-13-H2C-13-N
  420227.0240  0.0500 -3.8496 3  443.3262103 -58516 303511041      51 942        C-13-H3C-13-H2C-13-N
  420232.8920  0.0500 -3.8496 3  443.3260103 -58516 303511042      51 943        C-13-H3C-13-H2C-13-N
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  420483.4170  0.0582 -5.2975 3 1482.3140 97  58516 3034840 8      4740 7        C-13-H3C-13-H2C-13-N
  420483.4170  0.0582 -5.2975 3 1482.3140 97  58516 3034840 9      4740 8        C-13-H3C-13-H2C-13-N
  420535.5080  0.0500 -3.8285 3  428.5869101 -58516 303501040      50 941        C-13-H3C-13-H2C-13-N
  420539.6380  0.0500 -3.8285 3  428.5868101 -58516 303501041      50 942        C-13-H3C-13-H2C-13-N
  420637.8680  0.0047 -4.8317 3  242.3055 81  58516 30340 535      40 238        C-13-H3C-13-H2C-13-N
  420762.8283  0.0233 -5.7722 3  982.3259165  58516 30382 478      82 479        C-13-H3C-13-H2C-13-N
  420796.1114  0.0785 -5.4677 3 1538.8695 97  58516 3034841 7      4741 6        C-13-H3C-13-H2C-13-N
  420796.1114  0.0785 -5.4677 3 1538.8695 97  58516 3034841 8      4741 7        C-13-H3C-13-H2C-13-N
  420803.7081  0.0233 -4.9473 3  982.3245165  58516 30382 478      82 379        C-13-H3C-13-H2C-13-N
  420822.0291  0.0017 -3.8083 3  414.1372 99  58516 303491039      49 940        C-13-H3C-13-H2C-13-N
  420824.9000  0.0500 -3.8083 3  414.1371 99 -58516 303491040      49 941        C-13-H3C-13-H2C-13-N
  420872.7870  0.0300 -3.8376 3  123.9657 59 -58516 30329 425      28 326        C-13-H3C-13-H2C-13-N
  420971.0210  0.0300 -3.7556 3  271.4932 87 -58516 30343 440      42 339        C-13-H3C-13-H2C-13-N
  420971.4259  0.0031 -5.7922 3   42.0814 35  58516 30317 414      16 215        C-13-H3C-13-H2C-13-N
  420993.6073  0.0349 -5.6956 3 1463.6587199  58516 30399 892      99 793        C-13-H3C-13-H2C-13-N
  421087.6120  0.0500 -3.7890 3  399.9772 97 -58516 303481038      48 939        C-13-H3C-13-H2C-13-N
  421089.6250  0.0500 -3.7890 3  399.9771 97 -58516 303481039      48 940        C-13-H3C-13-H2C-13-N
  421108.1528  0.0336 -6.0987 3 1405.9131193  58516 303961086      951185        C-13-H3C-13-H2C-13-N
  421115.3895  0.1043 -5.6495 3 1596.6346 97  58516 3034842 6      4742 5        C-13-H3C-13-H2C-13-N
  421115.3895  0.1043 -5.6495 3 1596.6346 97  58516 3034842 7      4742 6        C-13-H3C-13-H2C-13-N
  421141.6065  0.0077 -4.6740 3  676.5569135  58516 30367 661      66 760        C-13-H3C-13-H2C-13-N
  421182.6790  0.0300 -3.5760 3   49.5012 21 -58516 30310 8 2       9 7 3        C-13-H3C-13-H2C-13-N
  421182.6790  0.0300 -3.5760 3   49.5012 21 -58516 30310 8 3       9 7 2        C-13-H3C-13-H2C-13-N
  421200.7954  0.0213 -5.6048 3  856.0092155  58516 30377 374      77 375        C-13-H3C-13-H2C-13-N
  421206.1798  0.0213 -4.8111 3  856.0090155  58516 30377 374      77 275        C-13-H3C-13-H2C-13-N
  421315.5774  0.0213 -4.8109 3  856.0092155  58516 30377 474      77 375        C-13-H3C-13-H2C-13-N
  421320.9618  0.0213 -5.6046 3  856.0090155  58516 30377 474      77 275        C-13-H3C-13-H2C-13-N
  421333.3930  0.0500 -3.7704 3  386.1066 95 -58516 303471037      47 938        C-13-H3C-13-H2C-13-N
  421334.8270  0.0500 -3.7704 3  386.1066 95 -58516 303471038      47 939        C-13-H3C-13-H2C-13-N
  421390.4207  0.0232 -4.9462 3  982.3259165  58516 30382 578      82 479        C-13-H3C-13-H2C-13-N
  421431.3005  0.0232 -5.7710 3  982.3245165  58516 30382 578      82 379        C-13-H3C-13-H2C-13-N
  421441.1454  0.1367 -5.8460 3 1655.5974 97  58516 3034843 5      4743 4        C-13-H3C-13-H2C-13-N
  421441.1454  0.1367 -5.8460 3 1655.5974 97  58516 3034843 6      4743 5        C-13-H3C-13-H2C-13-N
  421560.3670  0.0500 -3.7528 3  372.5257 93 -58516 303461036      46 937        C-13-H3C-13-H2C-13-N
  421561.3049  0.0016 -3.7528 3  372.5256 93  58516 303461037      46 938        C-13-H3C-13-H2C-13-N
  421761.7870  0.0300 -2.4198 3  351.7201 99 -58516 30349 446      48 445        C-13-H3C-13-H2C-13-N
  421769.3911  0.0016 -3.7360 3  359.2341 91  58516 303451035      45 936        C-13-H3C-13-H2C-13-N
  421770.0503  0.0016 -3.7360 3  359.2341 91  58516 303451036      45 937        C-13-H3C-13-H2C-13-N
  421773.2781  0.1770 -6.0628 3 1715.7463 97  58516 3034844 4      4744 3        C-13-H3C-13-H2C-13-N
  421773.2781  0.1770 -6.0628 3 1715.7463 97  58516 3034844 5      4744 4        C-13-H3C-13-H2C-13-N
  421961.4833  0.0016 -3.7201 3  346.2321 89  58516 303441034      44 935        C-13-H3C-13-H2C-13-N
  421961.9279  0.0016 -3.7201 3  346.2321 89  58516 303441035      44 936        C-13-H3C-13-H2C-13-N
  422137.4946  0.0016 -3.7051 3  333.5194 87  58516 303431033      43 934        C-13-H3C-13-H2C-13-N
  422137.7915  0.0016 -3.7051 3  333.5194 87  58516 303431034      43 935        C-13-H3C-13-H2C-13-N
  422164.3653  0.0044 -5.5616 3   98.4675 51  58516 30325 520      25 223        C-13-H3C-13-H2C-13-N
  422271.4320  0.0300 -3.6763 3  105.9837 53 -58516 30326 522      25 421        C-13-H3C-13-H2C-13-N
  422298.3630  0.0300 -3.6911 3  321.0962 85 -58516 303421032      42 933        C-13-H3C-13-H2C-13-N
  422298.3630  0.0300 -3.6911 3  321.0962 85 -58516 303421033      42 934        C-13-H3C-13-H2C-13-N
  422396.1630  0.0500 -3.6054 3  357.7391101 -58516 30350 248      49 347        C-13-H3C-13-H2C-13-N
  422444.6870  0.0300 -3.6779 3  308.9623 83 -58516 303411031      41 932        C-13-H3C-13-H2C-13-N
  422444.6870  0.0300 -3.6779 3  308.9623 83 -58516 303411032      41 933        C-13-H3C-13-H2C-13-N
  422577.3830  0.0500 -3.6657 3  297.1177 81 -58516 303401030      40 931        C-13-H3C-13-H2C-13-N
  422577.3830  0.0500 -3.6657 3  297.1177 81 -58516 303401031      40 932        C-13-H3C-13-H2C-13-N
  422625.5777  0.0295 -5.7156 3 1205.4758179  58516 30389 980      881079        C-13-H3C-13-H2C-13-N
  422697.2670  0.0300 -3.6545 3  285.5624 79 -58516 303391029      39 930        C-13-H3C-13-H2C-13-N
  422697.2670  0.0300 -3.6545 3  285.5624 79 -58516 303391030      39 931        C-13-H3C-13-H2C-13-N
  422804.9960  0.0300 -3.6443 3  274.2964 77 -58516 303381028      38 929        C-13-H3C-13-H2C-13-N
  422804.9960  0.0300 -3.6443 3  274.2964 77 -58516 303381029      38 930        C-13-H3C-13-H2C-13-N
  422840.2685  0.0349 -6.0271 3 1653.5878211  58516 303A5 997      A5 898        C-13-H3C-13-H2C-13-N
  422901.3240  0.0300 -3.6350 3  263.3196 75 -58516 303371027      37 928        C-13-H3C-13-H2C-13-N
  422901.3240  0.0300 -3.6350 3  263.3195 75 -58516 303371028      37 929        C-13-H3C-13-H2C-13-N
  422956.6616  0.0264 -6.0307 3 1141.2367177  58516 30388 583      88 584        C-13-H3C-13-H2C-13-N
  422986.8980  0.0300 -3.6269 3  252.6320 73 -58516 303361026      36 927        C-13-H3C-13-H2C-13-N
  422986.8980  0.0300 -3.6269 3  252.6320 73 -58516 303361027      36 928        C-13-H3C-13-H2C-13-N
  423000.6171  0.0189 -5.3882 3 1337.3727187  58516 303931182      931083        C-13-H3C-13-H2C-13-N
  423028.6740  0.0300 -2.4163 3  346.5488 97 -58516 30348 543      47 542        C-13-H3C-13-H2C-13-N
  423062.5750  0.0500 -3.6198 3  242.2335 71 -58516 303351025      35 926        C-13-H3C-13-H2C-13-N
  423062.5750  0.0500 -3.6198 3  242.2335 71 -58516 303351026      35 927        C-13-H3C-13-H2C-13-N
  423123.4358  0.0073 -6.0117 3   77.6017 47  58516 30323 420      23 123        C-13-H3C-13-H2C-13-N
  423128.5750  0.0300 -3.6138 3  232.1243 69 -58516 303341024      34 925        C-13-H3C-13-H2C-13-N
  423128.5750  0.0300 -3.6138 3  232.1243 69 -58516 303341025      34 926        C-13-H3C-13-H2C-13-N
  423141.0907  0.0034 -5.4271 3  174.8418 67  58516 30333 628      33 429        C-13-H3C-13-H2C-13-N
  423155.7380  0.1000 -5.1730 3 1141.2301177 -58516 30388 583      88 484        C-13-H3C-13-H2C-13-N
  423185.9050  0.0500 -3.6090 3  222.3041 67 -58516 303331023      33 924        C-13-H3C-13-H2C-13-N
  423185.9050  0.0500 -3.6090 3  222.3041 67 -58516 303331024      33 925        C-13-H3C-13-H2C-13-N
  423235.0470  0.0500 -4.5248 3   76.1924 21 -58516 3031010 0      10 9 1        C-13-H3C-13-H2C-13-N
  423235.0470  0.0500 -4.5248 3   76.1924 21 -58516 3031010 1      10 9 2        C-13-H3C-13-H2C-13-N
  423235.0470  0.0500 -3.6053 3  212.7731 65 -58516 303321022      32 923        C-13-H3C-13-H2C-13-N
  423235.0470  0.0500 -3.6053 3  212.7731 65 -58516 303321023      32 924        C-13-H3C-13-H2C-13-N
  423242.6693  0.0017 -3.7851 3  380.1326103  58516 30351 348      50 447        C-13-H3C-13-H2C-13-N
  423249.9100  0.0300 -4.2485 3   79.3680 23 -58516 3031110 1      11 9 2        C-13-H3C-13-H2C-13-N
  423249.9100  0.0300 -4.2485 3   79.3680 23 -58516 3031110 2      11 9 3        C-13-H3C-13-H2C-13-N
  423265.5679  0.0025 -4.0955 3   82.8324 25  58516 3031210 2      12 9 3        C-13-H3C-13-H2C-13-N
  423265.5679  0.0025 -4.0955 3   82.8324 25  58516 3031210 3      12 9 4        C-13-H3C-13-H2C-13-N
  423276.5630  0.0500 -3.6029 3  203.5312 63 -58516 303311021      31 922        C-13-H3C-13-H2C-13-N
  423276.5630  0.0500 -3.6029 3  203.5312 63 -58516 303311022      31 923        C-13-H3C-13-H2C-13-N
  423281.4600  0.0300 -3.9922 3   86.5855 27 -58516 3031310 3      13 9 4        C-13-H3C-13-H2C-13-N
  423281.4600  0.0300 -3.9922 3   86.5855 27 -58516 3031310 4      13 9 5        C-13-H3C-13-H2C-13-N
  423297.4810  0.0300 -3.9160 3   90.6273 29 -58516 3031410 4      14 9 5        C-13-H3C-13-H2C-13-N
  423297.4810  0.0300 -3.9160 3   90.6273 29 -58516 3031410 5      14 9 6        C-13-H3C-13-H2C-13-N
  423311.0760  0.0300 -3.6019 3  194.5783 61 -58516 303301020      30 921        C-13-H3C-13-H2C-13-N
  423311.0760  0.0300 -3.6019 3  194.5783 61 -58516 303301021      30 922        C-13-H3C-13-H2C-13-N
  423313.3390  0.0300 -3.8567 3   94.9579 31 -58516 3031510 5      15 9 6        C-13-H3C-13-H2C-13-N
  423313.3390  0.0300 -3.8567 3   94.9579 31 -58516 3031510 6      15 9 7        C-13-H3C-13-H2C-13-N
  423328.7760  0.0300 -3.8091 3   99.5773 33 -58516 3031610 6      16 9 7        C-13-H3C-13-H2C-13-N
  423328.7760  0.0300 -3.8091 3   99.5773 33 -58516 3031610 7      16 9 8        C-13-H3C-13-H2C-13-N
  423339.1010  0.0300 -3.6022 3  185.9144 59 -58516 303291019      29 920        C-13-H3C-13-H2C-13-N
  423339.1010  0.0300 -3.6022 3  185.9144 59 -58516 303291020      29 921        C-13-H3C-13-H2C-13-N
  423343.5230  0.0300 -3.7701 3  104.4855 35 -58516 3031710 7      17 9 8        C-13-H3C-13-H2C-13-N
  423343.5230  0.0300 -3.7701 3  104.4855 35 -58516 3031710 8      17 9 9        C-13-H3C-13-H2C-13-N
  423357.2370  0.0300 -3.7377 3  109.6824 37 -58516 3031810 8      18 9 9        C-13-H3C-13-H2C-13-N
  423357.2370  0.0300 -3.7377 3  109.6824 37 -58516 3031810 9      18 910        C-13-H3C-13-H2C-13-N
  423361.1470  0.0300 -3.6040 3  177.5396 57 -58516 303281018      28 919        C-13-H3C-13-H2C-13-N
  423361.1470  0.0300 -3.6040 3  177.5396 57 -58516 303281019      28 920        C-13-H3C-13-H2C-13-N
  423369.6660  0.0300 -3.7105 3  115.1682 39 -58516 3031910 9      19 910        C-13-H3C-13-H2C-13-N
  423369.6660  0.0300 -3.7105 3  115.1682 39 -58516 303191010      19 911        C-13-H3C-13-H2C-13-N
  423377.7520  0.0300 -3.6073 3  169.4537 55 -58516 303271017      27 918        C-13-H3C-13-H2C-13-N
  423377.7520  0.0300 -3.6073 3  169.4537 55 -58516 303271018      27 919        C-13-H3C-13-H2C-13-N
  423380.5110  0.0300 -3.6876 3  120.9428 41 -58516 303201010      20 911        C-13-H3C-13-H2C-13-N
  423380.5110  0.0300 -3.6876 3  120.9428 41 -58516 303201011      20 912        C-13-H3C-13-H2C-13-N
  423389.2243  0.0019 -3.6684 3  127.0063 43  58516 303211011      21 912        C-13-H3C-13-H2C-13-N
  423389.2243  0.0019 -3.6684 3  127.0063 43  58516 303211012      21 913        C-13-H3C-13-H2C-13-N
  423389.4059  0.0017 -3.6123 3  161.6568 53  58516 303261016      26 917        C-13-H3C-13-H2C-13-N
  423389.4059  0.0017 -3.6123 3  161.6568 53  58516 303261017      26 918        C-13-H3C-13-H2C-13-N
  423395.5950  0.0300 -3.6523 3  133.3586 45 -58516 303221012      22 913        C-13-H3C-13-H2C-13-N
  423395.5950  0.0300 -3.6523 3  133.3586 45 -58516 303221013      22 914        C-13-H3C-13-H2C-13-N
  423396.6130  0.0300 -3.6192 3  154.1489 51 -58516 303251015      25 916        C-13-H3C-13-H2C-13-N
  423396.6130  0.0300 -3.6192 3  154.1489 51 -58516 303251016      25 917        C-13-H3C-13-H2C-13-N
  423399.2382  0.0018 -3.6389 3  139.9998 47  58516 303231013      23 914        C-13-H3C-13-H2C-13-N
  423399.2382  0.0018 -3.6389 3  139.9998 47  58516 303231014      23 915        C-13-H3C-13-H2C-13-N
  423399.6962  0.0017 -3.6280 3  146.9299 49  58516 303241014      24 915        C-13-H3C-13-H2C-13-N
  423399.6962  0.0017 -3.6280 3  146.9299 49  58516 303241015      24 916        C-13-H3C-13-H2C-13-N
  423402.2975  0.0067 -4.2261 3  111.0468 57  58516 30328 325      27 226        C-13-H3C-13-H2C-13-N
  423757.0766  0.0050 -5.4288 3  467.8881111  58516 30355 749      55 550        C-13-H3C-13-H2C-13-N
  423849.6710  0.0300 -2.4034 3  341.8659 97 -58516 30348 444      47 443        C-13-H3C-13-H2C-13-N
  423954.6870  0.0300 -2.6798 3  465.1877 99 -58516 303491336      481335        C-13-H3C-13-H2C-13-N
  423954.6870  0.0300 -2.6798 3  465.1877 99 -58516 303491337      481336        C-13-H3C-13-H2C-13-N
  423956.7020  0.0300 -2.7268 3  485.2090 99 -58516 303491435      481434        C-13-H3C-13-H2C-13-N
  423956.7020  0.0300 -2.7268 3  485.2090 99 -58516 303491436      481435        C-13-H3C-13-H2C-13-N
  423990.0100  0.0300 -2.7772 3  506.6977 99 -58516 303491534      481533        C-13-H3C-13-H2C-13-N
  423990.0100  0.0300 -2.7772 3  506.6977 99 -58516 303491535      481534        C-13-H3C-13-H2C-13-N
  423992.2300  0.0300 -2.6363 3  446.6427 99 -58516 303491237      481236        C-13-H3C-13-H2C-13-N
  423992.2300  0.0300 -2.6363 3  446.6427 99 -58516 303491238      481237        C-13-H3C-13-H2C-13-N
  424048.9950  0.0500 -2.8311 3  529.6460 99 -58516 303491633      481632        C-13-H3C-13-H2C-13-N
  424048.9950  0.0500 -2.8311 3  529.6460 99 -58516 303491634      481633        C-13-H3C-13-H2C-13-N
  424081.7370  0.0300 -2.5961 3  429.5838 99 -58516 303491139      481138        C-13-H3C-13-H2C-13-N
  424081.7370  0.0300 -2.5961 3  429.5838 99 -58516 303491138      481137        C-13-H3C-13-H2C-13-N
  424124.9660  0.0300 -2.4178 3  357.7391101 -58516 30350 348      49 347        C-13-H3C-13-H2C-13-N
  424129.4630  0.0300 -2.8885 3  554.0461 99 -58516 303491732      481731        C-13-H3C-13-H2C-13-N
  424129.4630  0.0300 -2.8885 3  554.0461 99 -58516 303491733      481732        C-13-H3C-13-H2C-13-N
  424228.6240  0.0300 -2.9494 3  579.8903 99 -58516 303491831      481830        C-13-H3C-13-H2C-13-N
  424228.6240  0.0300 -2.9494 3  579.8903 99 -58516 303491832      481831        C-13-H3C-13-H2C-13-N
  424242.7510  0.0300 -2.5594 3  414.0231 99 -58516 303491040      481039        C-13-H3C-13-H2C-13-N
  424242.7510  0.0300 -2.5594 3  414.0231 99 -58516 303491039      481038        C-13-H3C-13-H2C-13-N
  424303.8800  0.0300 -3.7487 3  284.0622 89 -58516 30344 441      43 340        C-13-H3C-13-H2C-13-N
  424344.2230  0.0300 -3.0138 3  607.1710 99 -58516 303491930      481929        C-13-H3C-13-H2C-13-N
  424344.2230  0.0300 -3.0138 3  607.1710 99 -58516 303491931      481930        C-13-H3C-13-H2C-13-N
  424474.5980  0.0300 -3.0817 3  635.8803 99 -58516 303492029      482028        C-13-H3C-13-H2C-13-N
  424474.5980  0.0300 -3.0817 3  635.8803 99 -58516 303492030      482029        C-13-H3C-13-H2C-13-N
  424478.9503  0.0033 -5.4575 3   64.5504 43  58516 30321 417      20 218        C-13-H3C-13-H2C-13-N
  424499.6810  0.0300 -2.4169 3  357.6690101 -58516 30350 248      49 247        C-13-H3C-13-H2C-13-N
  424507.4360  0.0300 -2.5261 3  399.9771 99 -58516 30349 941      48 940        C-13-H3C-13-H2C-13-N
  424508.4250  0.0300 -2.5261 3  399.9772 99 -58516 30349 940      48 939        C-13-H3C-13-H2C-13-N
  424533.4272  0.0056 -5.7255 3   59.3020 43  58516 30321 319      20 120        C-13-H3C-13-H2C-13-N
  424618.4830  0.0300 -3.1532 3  666.0103 99 -58516 303492128      482127        C-13-H3C-13-H2C-13-N
  424618.4830  0.0300 -3.1532 3  666.0103 99 -58516 303492129      482128        C-13-H3C-13-H2C-13-N
  424774.7950  0.0300 -3.2282 3  697.5528 99 -58516 303492227      482226        C-13-H3C-13-H2C-13-N
  424774.7950  0.0300 -3.2282 3  697.5528 99 -58516 303492228      482227        C-13-H3C-13-H2C-13-N
  424793.7510  0.0115 -5.7937 3  814.8830147  58516 30373 866      73 667        C-13-H3C-13-H2C-13-N
  424808.0600  0.0300 -3.6729 3  105.9053 53 -58516 30326 521      25 422        C-13-H3C-13-H2C-13-N
  424896.7350  0.0300 -2.4114 3  350.9381 99 -58516 30349 346      48 345        C-13-H3C-13-H2C-13-N
  424928.5350  0.0300 -2.4960 3  387.4702 99 -58516 30349 842      48 841        C-13-H3C-13-H2C-13-N
  424942.7440  0.0500 -3.3068 3  730.4994 99 -58516 303492326      482325        C-13-H3C-13-H2C-13-N
  424942.7440  0.0500 -3.3068 3  730.4994 99 -58516 303492327      482326        C-13-H3C-13-H2C-13-N
  424944.9750  0.0300 -2.4960 3  387.4716 99 -58516 30349 841      48 840        C-13-H3C-13-H2C-13-N
  424989.5532  0.0298 -5.5412 3  757.7166147  58516 30373 271      73 272        C-13-H3C-13-H2C-13-N
  424989.9438  0.0298 -4.7767 3  757.7166147  58516 30373 271      73 172        C-13-H3C-13-H2C-13-N
  425002.6486  0.0298 -4.7767 3  757.7166147  58516 30373 371      73 272        C-13-H3C-13-H2C-13-N
  425003.0392  0.0298 -5.5412 3  757.7166147  58516 30373 371      73 172        C-13-H3C-13-H2C-13-N
  425121.7250  0.0300 -3.3890 3  764.8417 99 -58516 303492425      482424        C-13-H3C-13-H2C-13-N
  425121.7250  0.0300 -3.3890 3  764.8417 99 -58516 303492426      482425        C-13-H3C-13-H2C-13-N
  425295.4730  0.0300 -2.4294 3  359.1701 99 -58516 30349 545      48 544        C-13-H3C-13-H2C-13-N
  425303.2917  0.0465 -5.8636 3 1549.7028205  58516 303A2 795      A2 696        C-13-H3C-13-H2C-13-N
  425311.1040  0.0300 -3.4749 3  800.5708 99 -58516 303492524      482523        C-13-H3C-13-H2C-13-N
  425311.1040  0.0300 -3.4749 3  800.5708 99 -58516 303492525      482524        C-13-H3C-13-H2C-13-N
  425321.6502  0.0257 -5.1688 3 1141.2367177  58516 30388 683      88 584        C-13-H3C-13-H2C-13-N
  425397.9473  0.0033 -5.6369 3  141.7310 29  58516 3031413 1      1512 4        C-13-H3C-13-H2C-13-N
  425397.9473  0.0033 -5.6369 3  141.7310 29  58516 3031413 2      1512 3        C-13-H3C-13-H2C-13-N
  425510.4250  0.0300 -3.5644 3  837.6777 99 -58516 303492623      482622        C-13-H3C-13-H2C-13-N
  425510.4250  0.0300 -3.5644 3  837.6777 99 -58516 303492624      482623        C-13-H3C-13-H2C-13-N
  425520.8840  0.0256 -6.0259 3 1141.2301177  58516 30388 683      88 484        C-13-H3C-13-H2C-13-N
  425548.1210  0.0300 -2.4692 3  376.5374 99 -58516 30349 743      48 742        C-13-H3C-13-H2C-13-N
  425686.0680  0.0300 -3.4987 3  362.6906103 -58516 30351 150      50 249        C-13-H3C-13-H2C-13-N
  425719.3490  0.0300 -3.6577 3  876.1532 99 -58516 303492722      482721        C-13-H3C-13-H2C-13-N
  425719.3490  0.0300 -3.6577 3  876.1532 99 -58516 303492723      482722        C-13-H3C-13-H2C-13-N
  425754.6480  0.0500 -2.4153 3  362.6906103 -58516 30351 250      50 249        C-13-H3C-13-H2C-13-N
  425761.5590  0.0300 -2.4688 3  376.5605 99 -58516 30349 742      48 741        C-13-H3C-13-H2C-13-N
  425772.1700  0.0300 -2.4153 3  362.6877103 -58516 30351 150      50 149        C-13-H3C-13-H2C-13-N
  425840.7360  0.0300 -3.4984 3  362.6877103 -58516 30351 250      50 149        C-13-H3C-13-H2C-13-N
  425937.4690  0.0300 -3.7547 3  915.9879 99 -58516 303492821      482820        C-13-H3C-13-H2C-13-N
  425937.4690  0.0300 -3.7547 3  915.9879 99 -58516 303492822      482821        C-13-H3C-13-H2C-13-N
  425962.5882  0.0032 -5.0086 3  186.2552 39  58516 3031914 5      2013 8        C-13-H3C-13-H2C-13-N
  425962.5882  0.0032 -5.0086 3  186.2552 39  58516 3031914 6      2013 7        C-13-H3C-13-H2C-13-N
  426064.9687  0.0045 -5.6514 3   91.1028 49  58516 30324 519      24 222        C-13-H3C-13-H2C-13-N
  426089.0700  0.0500 -2.4463 3  367.1849 99 -58516 30349 644      48 643        C-13-H3C-13-H2C-13-N
  426090.9250  0.0171 -5.3325 3 1310.4408185  58516 303921181      921082        C-13-H3C-13-H2C-13-N
  426164.5490  0.0300 -3.8556 3  957.1721 99 -58516 303492920      482919        C-13-H3C-13-H2C-13-N
  426164.5490  0.0300 -3.8556 3  957.1721 99 -58516 303492921      482920        C-13-H3C-13-H2C-13-N
  426224.4724  0.0572 -5.6200 3  664.5449139  58516 30369 168      69 169        C-13-H3C-13-H2C-13-N
  426224.4869  0.0572 -4.8825 3  664.5449139  58516 30369 168      69 069        C-13-H3C-13-H2C-13-N
  426225.4845  0.0572 -4.8825 3  664.5449139  58516 30369 268      69 169        C-13-H3C-13-H2C-13-N
  426225.4990  0.0572 -5.6200 3  664.5449139  58516 30369 268      69 069        C-13-H3C-13-H2C-13-N
  426228.4860  0.0300 -3.5973 3  357.6690101 -58516 30350 348      49 247        C-13-H3C-13-H2C-13-N
  426290.0505  0.0095 -4.8252 3   84.2480 51  58516 30325 223      24 124        C-13-H3C-13-H2C-13-N
  426400.2780  0.0300 -3.9605 3  999.6961 99 -58516 303493019      483018        C-13-H3C-13-H2C-13-N
  426400.2780  0.0300 -3.9605 3  999.6961 99 -58516 303493020      483019        C-13-H3C-13-H2C-13-N
  426441.9730  0.0300 -4.7975 3  239.4702 49 -58516 3032415 9      251412        C-13-H3C-13-H2C-13-N
  426441.9730  0.0300 -4.7975 3  239.4702 49 -58516 303241510      251411        C-13-H3C-13-H2C-13-N
  426508.4140  0.0300 -4.0497 3  448.5282111 -58516 30355 451      54 550        C-13-H3C-13-H2C-13-N
  426569.0329  0.0034 -5.4431 3  165.1773 65  58516 30332 627      32 428        C-13-H3C-13-H2C-13-N
  426644.4050  0.0500 -4.0694 3 1043.5498 99 -58516 303493118      483117        C-13-H3C-13-H2C-13-N
  426644.4050  0.0500 -4.0694 3 1043.5498 99 -58516 303493119      483118        C-13-H3C-13-H2C-13-N
  426785.6219  0.0053 -5.0791 3   59.2269 43  58516 30321 319      20 020        C-13-H3C-13-H2C-13-N
  426843.5629  0.0029 -4.7244 3  301.3731 59  58516 303291613      301516        C-13-H3C-13-H2C-13-N
  426843.5629  0.0029 -4.7244 3  301.3731 59  58516 303291614      301515        C-13-H3C-13-H2C-13-N
  426896.7810  0.0500 -4.1824 3 1088.7230 99 -58516 303493217      483216        C-13-H3C-13-H2C-13-N
  426896.7810  0.0500 -4.1824 3 1088.7230 99 -58516 303493218      483217        C-13-H3C-13-H2C-13-N
  426921.4286  0.0313 -5.4366 3 1311.1987189  58516 30394 788      94 689        C-13-H3C-13-H2C-13-N
  427031.9900  0.0020 -3.6094 3   79.2861 43  58516 30321 616      20 515        C-13-H3C-13-H2C-13-N
  427046.9660  0.1000 -3.6094 3   79.2856 43 -58516 30321 615      20 516        C-13-H3C-13-H2C-13-N
  427157.1090  0.0500 -4.2997 3 1135.2055 99 -58516 303493316      483315        C-13-H3C-13-H2C-13-N
  427157.1090  0.0500 -4.2997 3 1135.2055 99 -58516 303493317      483316        C-13-H3C-13-H2C-13-N
  427175.8127  0.0030 -4.7263 3  371.9599 69  58516 303341717      351620        C-13-H3C-13-H2C-13-N
  427175.8127  0.0030 -4.7263 3  371.9599 69  58516 303341718      351619        C-13-H3C-13-H2C-13-N
  427223.9545  0.0374 -5.7419 3 1492.0989201  58516 303A0 893      A0 794        C-13-H3C-13-H2C-13-N
  427249.7691  0.0094 -5.5301 3   84.2160 51  58516 30325 223      24 024        C-13-H3C-13-H2C-13-N
  427347.0595  0.0049 -4.8339 3  254.0538 83  58516 30341 536      41 239        C-13-H3C-13-H2C-13-N
  427384.6248  0.0025 -3.4212 3  366.5500105  58516 30352 052      51 151        C-13-H3C-13-H2C-13-N
  427385.7097  0.0025 -2.4105 3  366.5500105  58516 30352 152      51 151        C-13-H3C-13-H2C-13-N
  427386.0212  0.0025 -2.4105 3  366.5499105  58516 30352 052      51 051        C-13-H3C-13-H2C-13-N
  427387.1061  0.0025 -3.4212 3  366.5499105  58516 30352 152      51 051        C-13-H3C-13-H2C-13-N
  427418.4480  0.0245 -5.8058 3 1005.5821167  58516 30383 479      83 480        C-13-H3C-13-H2C-13-N
  427425.3308  0.0071 -4.4214 3 1182.9866 99  58516 303493415      483414        C-13-H3C-13-H2C-13-N
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  427701.1953  0.0102 -4.5478 3 1232.0558 99  58516 303493515      483514        C-13-H3C-13-H2C-13-N
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  427849.2713  0.0031 -4.9961 3  635.7677 99  58516 303492030      501931        C-13-H3C-13-H2C-13-N
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  427984.5665  0.0148 -4.6792 3 1282.4023 99  58516 303493613      483612        C-13-H3C-13-H2C-13-N
  427984.5665  0.0148 -4.6792 3 1282.4023 99  58516 303493614      483613        C-13-H3C-13-H2C-13-N
  427997.5753  0.0042 -5.1497 3  741.0287109  58516 303542133      552036        C-13-H3C-13-H2C-13-N
  427997.5753  0.0042 -5.1497 3  741.0287109  58516 303542134      552035        C-13-H3C-13-H2C-13-N
  428123.3519  0.0086 -5.3296 3  854.9376119  58516 303592237      602140        C-13-H3C-13-H2C-13-N
  428123.3519  0.0086 -5.3296 3  854.9376119  58516 303592238      602139        C-13-H3C-13-H2C-13-N
  428143.2454  0.0451 -6.1475 3 1742.6278215  58516 303A71197      A71098        C-13-H3C-13-H2C-13-N
  428198.2242  0.0289 -5.8569 3 1591.3866205  58516 303A21192      A21093        C-13-H3C-13-H2C-13-N
  428235.5792  0.0171 -5.5339 3  977.4841129  58516 303642341      652244        C-13-H3C-13-H2C-13-N
  428235.5792  0.0171 -5.5339 3  977.4841129  58516 303642342      652243        C-13-H3C-13-H2C-13-N
  428275.2962  0.0214 -4.8158 3 1334.0151 99  58516 303493712      483711        C-13-H3C-13-H2C-13-N
  428275.2962  0.0214 -4.8158 3 1334.0151 99  58516 303493713      483712        C-13-H3C-13-H2C-13-N
  428342.8936  0.0309 -5.7613 3 1108.6569139  58516 303692445      702348        C-13-H3C-13-H2C-13-N
  428342.8936  0.0309 -5.7613 3 1108.6569139  58516 303692446      702347        C-13-H3C-13-H2C-13-N
  428360.9015  0.0383 -6.0783 3 1683.8320213  58516 303A6 998      A6 899        C-13-H3C-13-H2C-13-N
  428453.5355  0.0516 -6.0109 3 1248.4439149  58516 303742549      752452        C-13-H3C-13-H2C-13-N
  428453.5355  0.0516 -6.0109 3 1248.4439149  58516 303742550      752451        C-13-H3C-13-H2C-13-N
  428573.2442  0.0305 -4.9581 3 1386.8830 99  58516 303493811      483810        C-13-H3C-13-H2C-13-N
  428573.2442  0.0305 -4.9581 3 1386.8830 99  58516 303493812      483811        C-13-H3C-13-H2C-13-N
  428635.1594  0.0236 -5.3504 3 1020.3251165  58516 30382 874      81 973        C-13-H3C-13-H2C-13-N
  428660.8320  0.0300 -3.5793 3   61.4713 33 -58516 30316 710      15 6 9        C-13-H3C-13-H2C-13-N
  428660.8320  0.0300 -3.5793 3   61.4713 33 -58516 30316 7 9      15 610        C-13-H3C-13-H2C-13-N
  428663.9757  0.0266 -5.8001 3 1561.9768203  58516 303A11191      A11092        C-13-H3C-13-H2C-13-N
  428878.2776  0.0427 -5.1066 3 1440.9951 99  58516 303493910      4839 9        C-13-H3C-13-H2C-13-N
  428878.2776  0.0427 -5.1066 3 1440.9951 99  58516 303493911      483910        C-13-H3C-13-H2C-13-N
  428944.0897  0.0156 -5.2780 3 1283.8061183  58516 303911180      911081        C-13-H3C-13-H2C-13-N
  429032.8476  0.0079 -5.8400 3  213.4250 77  58516 30338 434      38 237        C-13-H3C-13-H2C-13-N
  429190.2700  0.0587 -5.2621 3 1496.3398 99  58516 3034940 9      4840 8        C-13-H3C-13-H2C-13-N
  429190.2700  0.0587 -5.2621 3 1496.3398 99  58516 303494010      4840 9        C-13-H3C-13-H2C-13-N
  429252.5763  0.0246 -5.7437 3 1532.8483201  58516 303A01190      A01091        C-13-H3C-13-H2C-13-N
  429509.1008  0.0793 -5.4256 3 1552.9058 99  58516 3034941 8      4841 7        C-13-H3C-13-H2C-13-N
  429509.1008  0.0793 -5.4256 3 1552.9058 99  58516 3034941 9      4841 8        C-13-H3C-13-H2C-13-N
  429604.9934  0.0033 -5.4613 3  155.8168 63  58516 30331 626      31 427        C-13-H3C-13-H2C-13-N
  429815.8062  0.0033 -5.3862 3   70.7493 45  58516 30322 418      21 219        C-13-H3C-13-H2C-13-N
  429834.6551  0.1055 -5.5985 3 1610.6815 99  58516 3034942 7      4842 6        C-13-H3C-13-H2C-13-N
  429834.6551  0.1055 -5.5985 3 1610.6815 99  58516 3034942 8      4842 7        C-13-H3C-13-H2C-13-N
  429845.6900  0.0300 -3.5585 3   52.3875 23 -58516 30311 8 3      10 7 4        C-13-H3C-13-H2C-13-N
  429845.6900  0.0300 -3.5585 3   52.3875 23 -58516 30311 8 4      10 7 3        C-13-H3C-13-H2C-13-N
  429930.9801  0.0276 -6.0670 3 1166.3134179  58516 30389 584      89 585        C-13-H3C-13-H2C-13-N
  429951.4122  0.0228 -5.6878 3 1504.0019199  58516 303991189      991090        C-13-H3C-13-H2C-13-N
  429990.9240  0.0300 -3.6694 3  113.5413 55 -58516 30327 523      26 422        C-13-H3C-13-H2C-13-N
  430021.6730  0.0300 -2.4237 3  365.7886101 -58516 30350 447      49 446        C-13-H3C-13-H2C-13-N
  430034.1075  0.0046 -5.7452 3   84.0271 47  58516 30323 518      23 221        C-13-H3C-13-H2C-13-N
  430095.1084  0.0275 -5.2113 3 1166.3079179  58516 30389 584      89 485        C-13-H3C-13-H2C-13-N
  430166.8232  0.1384 -5.7828 3 1669.6552 99  58516 3034943 6      4843 5        C-13-H3C-13-H2C-13-N
  430166.8232  0.1384 -5.7828 3 1669.6552 99  58516 3034943 7      4843 6        C-13-H3C-13-H2C-13-N
  430236.5621  0.0078 -5.1434 3  213.3848 77  58516 30338 434      38 137        C-13-H3C-13-H2C-13-N
  430505.5007  0.1794 -5.9820 3 1729.8151 99  58516 3034944 5      4844 4        C-13-H3C-13-H2C-13-N
  430505.5007  0.1794 -5.9820 3 1729.8151 99  58516 3034944 6      4844 5        C-13-H3C-13-H2C-13-N
  430747.9567  0.0211 -5.6325 3 1475.4382197  58516 303981188      981089        C-13-H3C-13-H2C-13-N
  430840.9680  0.0300 -3.6035 3  371.8864103 -58516 30351 249      50 348        C-13-H3C-13-H2C-13-N
  431064.2399  0.0031 -5.7218 3   46.9502 37  58516 30318 415      17 216        C-13-H3C-13-H2C-13-N
  431419.6203  0.0314 -5.5704 3  778.1281149  58516 30374 272      74 273        C-13-H3C-13-H2C-13-N
  431419.9281  0.0314 -4.8062 3  778.1281149  58516 30374 272      74 173        C-13-H3C-13-H2C-13-N
  431430.1126  0.0314 -4.8062 3  778.1281149  58516 30374 372      74 273        C-13-H3C-13-H2C-13-N
  431430.4204  0.0314 -5.5703 3  778.1281149  58516 30374 372      74 173        C-13-H3C-13-H2C-13-N
  431578.1555  0.0142 -5.2245 3 1257.4676181  58516 303901179      901080        C-13-H3C-13-H2C-13-N
  431629.8928  0.0196 -5.5776 3 1447.1578195  58516 303971187      971088        C-13-H3C-13-H2C-13-N
  431753.3080  0.0300 -3.7359 3  310.0108 93 -58516 30346 443      45 342        C-13-H3C-13-H2C-13-N
  431793.7548  0.0049 -5.4193 3  451.6762109  58516 30354 748      54 549        C-13-H3C-13-H2C-13-N
  431919.4012  0.0269 -5.2078 3 1166.3134179  58516 30389 684      89 585        C-13-H3C-13-H2C-13-N
  432083.5295  0.0268 -6.0630 3 1166.3079179  58516 30389 684      89 485        C-13-H3C-13-H2C-13-N
  432167.3710  0.0300 -2.4182 3  360.6595 99 -58516 30349 544      48 543        C-13-H3C-13-H2C-13-N
  432214.1441  0.0077 -5.9797 3   84.2480 49  58516 30324 421      24 124        C-13-H3C-13-H2C-13-N
  432229.5658  0.0046 -4.3470 3  556.7863123  58516 30361 556      60 655        C-13-H3C-13-H2C-13-N
  432258.8620  0.0300 -2.4224 3  371.8864103 -58516 30351 349      50 348        C-13-H3C-13-H2C-13-N
  432269.9791  0.0032 -5.4820 3  146.7595 61  58516 30330 625      30 426        C-13-H3C-13-H2C-13-N
  432330.9780  0.0300 -2.4069 3  356.0040 99 -58516 30349 445      48 444        C-13-H3C-13-H2C-13-N
  432569.7740  0.0300 -2.4217 3  371.8288103 -58516 30351 249      50 248        C-13-H3C-13-H2C-13-N
  432582.3240  0.0300 -2.7287 3  499.3506101 -58516 303501436      491435        C-13-H3C-13-H2C-13-N
  432582.3240  0.0300 -2.7287 3  499.3506101 -58516 303501437      491436        C-13-H3C-13-H2C-13-N
  432585.0700  0.0300 -2.6820 3  479.3293101 -58516 303501337      491336        C-13-H3C-13-H2C-13-N
  432585.0700  0.0300 -2.6820 3  479.3293101 -58516 303501338      491337        C-13-H3C-13-H2C-13-N
  432585.2262  0.0183 -5.5233 3 1419.1615193  58516 303961186      961087        C-13-H3C-13-H2C-13-N
  432612.4670  0.0300 -2.7789 3  520.8405101 -58516 303501535      491534        C-13-H3C-13-H2C-13-N
  432612.4670  0.0300 -2.7789 3  520.8405101 -58516 303501536      491535        C-13-H3C-13-H2C-13-N
  432629.4860  0.0300 -2.6386 3  460.7856101 -58516 303501239      491238        C-13-H3C-13-H2C-13-N
  432629.4860  0.0300 -2.6386 3  460.7856101 -58516 303501238      491237        C-13-H3C-13-H2C-13-N
  432638.6272  0.0602 -5.6469 3  683.6656141  58516 30370 169      70 170        C-13-H3C-13-H2C-13-N
  432638.6384  0.0602 -4.9094 3  683.6656141  58516 30370 169      70 070        C-13-H3C-13-H2C-13-N
  432639.4251  0.0602 -4.9094 3  683.6656141  58516 30370 269      70 170        C-13-H3C-13-H2C-13-N
  432639.4364  0.0602 -5.6469 3  683.6656141  58516 30370 269      70 070        C-13-H3C-13-H2C-13-N
  432669.4490  0.0300 -2.8326 3  543.7908101 -58516 303501634      491633        C-13-H3C-13-H2C-13-N
  432669.4490  0.0300 -2.8326 3  543.7908101 -58516 303501635      491634        C-13-H3C-13-H2C-13-N
  432728.7950  0.0300 -2.5987 3  443.7297101 -58516 303501140      491139        C-13-H3C-13-H2C-13-N
  432728.7950  0.0300 -2.5987 3  443.7297101 -58516 303501139      491138        C-13-H3C-13-H2C-13-N
  432748.9960  0.0300 -2.8897 3  568.1936101 -58516 303501733      491732        C-13-H3C-13-H2C-13-N
  432748.9960  0.0300 -2.8897 3  568.1936101 -58516 303501734      491733        C-13-H3C-13-H2C-13-N
  432754.6841  0.0111 -5.7717 3  793.4719145  58516 30372 865      72 666        C-13-H3C-13-H2C-13-N
  432825.2000  0.0300 -2.4164 3  365.1111101 -58516 30350 347      49 346        C-13-H3C-13-H2C-13-N
  432847.9690  0.0300 -2.9503 3  594.0411101 -58516 303501832      491831        C-13-H3C-13-H2C-13-N
  432847.9690  0.0300 -2.9503 3  594.0411101 -58516 303501833      491832        C-13-H3C-13-H2C-13-N
  432903.8850  0.0300 -2.5621 3  428.1743101 -58516 303501041      491040        C-13-H3C-13-H2C-13-N
  432903.8850  0.0300 -2.5621 3  428.1743101 -58516 303501040      491039        C-13-H3C-13-H2C-13-N
  432938.3572  0.0031 -3.8435 3  132.3182 61  58516 30330 426      29 327        C-13-H3C-13-H2C-13-N
  432964.0580  0.0300 -3.0143 3  621.3256101 -58516 303501931      491930        C-13-H3C-13-H2C-13-N
  432964.0580  0.0300 -3.0143 3  621.3256101 -58516 303501932      491931        C-13-H3C-13-H2C-13-N
  433095.4790  0.0300 -3.0818 3  650.0392101 -58516 303502030      492029        C-13-H3C-13-H2C-13-N
  433095.4790  0.0300 -3.0818 3  650.0392101 -58516 303502031      492030        C-13-H3C-13-H2C-13-N
  433189.1040  0.0300 -2.5289 3  414.1371101 -58516 30350 942      49 941        C-13-H3C-13-H2C-13-N
  433190.4200  0.0300 -2.5289 3  414.1372101 -58516 30350 941      49 940        C-13-H3C-13-H2C-13-N
  433224.3797  0.0057 -4.9911 3  110.7192 57  58516 30328 325      27 126        C-13-H3C-13-H2C-13-N
  433240.8930  0.0500 -3.1529 3  680.1740101 -58516 303502129      492128        C-13-H3C-13-H2C-13-N
  433240.8930  0.0500 -3.1529 3  680.1740101 -58516 303502130      492129        C-13-H3C-13-H2C-13-N
  433399.1910  0.0300 -3.2274 3  711.7217101 -58516 303502228      492227        C-13-H3C-13-H2C-13-N
  433399.1910  0.0300 -3.2274 3  711.7217101 -58516 303502229      492228        C-13-H3C-13-H2C-13-N
  433413.1794  0.0018 -3.6650 3  113.4361 55  58516 30327 522      26 423        C-13-H3C-13-H2C-13-N
  433482.1057  0.0331 -5.4794 3 1338.0920191  58516 30395 789      95 690        C-13-H3C-13-H2C-13-N
  433525.0567  0.0401 -5.7889 3 1520.8039203  58516 303A1 894      A1 795        C-13-H3C-13-H2C-13-N
  433569.4770  0.0300 -3.3056 3  744.6740101 -58516 303502327      492326        C-13-H3C-13-H2C-13-N
  433569.4770  0.0300 -3.3056 3  744.6740101 -58516 303502328      492327        C-13-H3C-13-H2C-13-N
  433599.3907  0.0490 -5.9082 3 1578.9478207  58516 303A3 796      A3 697        C-13-H3C-13-H2C-13-N
  433602.3882  0.0171 -5.4696 3 1391.4497191  58516 303951185      951086        C-13-H3C-13-H2C-13-N
  433639.7990  0.0300 -2.4989 3  401.6443101 -58516 30350 843      49 842        C-13-H3C-13-H2C-13-N
  433655.2495  0.0016 -3.7732 3  394.7514105  58516 30352 349      51 448        C-13-H3C-13-H2C-13-N
  433661.7440  0.0300 -2.4989 3  401.6463101 -58516 30350 842      49 841        C-13-H3C-13-H2C-13-N
  433751.1010  0.0300 -3.3872 3  779.0222101 -58516 303502426      492425        C-13-H3C-13-H2C-13-N
  433751.1010  0.0300 -3.3872 3  779.0222101 -58516 303502427      492426        C-13-H3C-13-H2C-13-N
  433803.6500  0.0300 -2.4331 3  373.3564101 -58516 30350 546      49 545        C-13-H3C-13-H2C-13-N
  433819.2890  0.0300 -3.5013 3  376.8922105 -58516 30352 151      51 250        C-13-H3C-13-H2C-13-N
  433873.7960  0.0300 -2.4203 3  376.8922105 -58516 30352 251      51 250        C-13-H3C-13-H2C-13-N
  433887.8320  0.0300 -2.4203 3  376.8899105 -58516 30352 151      51 150        C-13-H3C-13-H2C-13-N
  433942.2770  0.0500 -3.5011 3  376.8899105 -58516 30352 251      51 150        C-13-H3C-13-H2C-13-N
  433943.4860  0.0300 -3.4725 3  814.7576101 -58516 303502525      492524        C-13-H3C-13-H2C-13-N
  433943.4860  0.0300 -3.4725 3  814.7576101 -58516 303502526      492525        C-13-H3C-13-H2C-13-N
  433987.6620  0.0300 -3.5970 3  371.8288103 -58516 30351 349      50 248        C-13-H3C-13-H2C-13-N
  434010.8486  0.0129 -5.1721 3 1231.4248179  58516 303891178      891079        C-13-H3C-13-H2C-13-N
  434010.9871  0.0046 -5.8429 3   77.2421 45  58516 30322 517      22 220        C-13-H3C-13-H2C-13-N
  434019.6489  0.0423 -6.1300 3 1714.3407215  58516 303A7 999      A7 8A0        C-13-H3C-13-H2C-13-N
  434028.0996  0.0033 -6.0579 3  137.3983 27  58516 3031313 0      1412 3        C-13-H3C-13-H2C-13-N
  434028.0996  0.0033 -6.0579 3  137.3983 27  58516 3031313 1      1412 2        C-13-H3C-13-H2C-13-N
  434046.1039  0.0257 -5.8403 3 1029.1059169  58516 30384 480      84 481        C-13-H3C-13-H2C-13-N
  434073.0526  0.0257 -5.0179 3 1029.1050169  58516 30384 480      84 381        C-13-H3C-13-H2C-13-N
  434146.0730  0.0300 -3.5614 3  851.8712101 -58516 303502624      492623        C-13-H3C-13-H2C-13-N
  434146.0730  0.0300 -3.5614 3  851.8712101 -58516 303502625      492624        C-13-H3C-13-H2C-13-N
  434186.0712  0.0240 -5.6679 3  899.6786159  58516 30379 376      79 377        C-13-H3C-13-H2C-13-N
  434189.5170  0.0240 -4.8758 3  899.6785159  58516 30379 376      79 277        C-13-H3C-13-H2C-13-N
  434262.1576  0.0240 -4.8756 3  899.6786159  58516 30379 476      79 377        C-13-H3C-13-H2C-13-N
  434265.6034  0.0240 -5.6678 3  899.6785159  58516 30379 476      79 277        C-13-H3C-13-H2C-13-N
  434289.1910  0.0300 -2.4723 3  390.7322101 -58516 30350 744      49 743        C-13-H3C-13-H2C-13-N
  434358.5200  0.0300 -3.6539 3  890.3537101 -58516 303502723      492722        C-13-H3C-13-H2C-13-N
  434358.5200  0.0300 -3.6539 3  890.3537101 -58516 303502724      492723        C-13-H3C-13-H2C-13-N
  434475.6421  0.0256 -5.0172 3 1029.1059169  58516 30384 580      84 481        C-13-H3C-13-H2C-13-N
  434502.5907  0.0256 -5.8394 3 1029.1050169  58516 30384 580      84 381        C-13-H3C-13-H2C-13-N
  434560.4080  0.0500 -2.4718 3  390.7624101 -58516 30350 743      49 742        C-13-H3C-13-H2C-13-N
  434580.4490  0.0300 -3.7501 3  930.1956101 -58516 303502822      492821        C-13-H3C-13-H2C-13-N
  434580.4490  0.0300 -3.7501 3  930.1956101 -58516 303502823      492822        C-13-H3C-13-H2C-13-N
  434580.9032  0.0033 -5.1032 3  180.4775 37  58516 3031814 4      1913 7        C-13-H3C-13-H2C-13-N
  434580.9032  0.0033 -5.1032 3  180.4775 37  58516 3031814 5      1913 6        C-13-H3C-13-H2C-13-N
  434590.1533  0.0032 -5.5052 3  138.0045 59  58516 30329 624      29 425        C-13-H3C-13-H2C-13-N
  434631.7696  0.0383 -6.1269 3 1433.5910195  58516 303971087      961186        C-13-H3C-13-H2C-13-N
  434670.3253  0.0160 -5.4164 3 1364.0231189  58516 303941184      941085        C-13-H3C-13-H2C-13-N
  434793.0850  0.0300 -2.4496 3  381.3977101 -58516 30350 645      49 644        C-13-H3C-13-H2C-13-N
  434811.4950  0.0300 -3.8502 3  971.3874101 -58516 303502921      492920        C-13-H3C-13-H2C-13-N
  434811.4950  0.0300 -3.8502 3  971.3874101 -58516 303502922      492921        C-13-H3C-13-H2C-13-N
  434992.8861  0.0367 -5.5324 3 1365.2318193  58516 30396 690      96 591        C-13-H3C-13-H2C-13-N
  435046.1369  0.0031 -4.8347 3  232.2473 47  58516 3032315 8      241411        C-13-H3C-13-H2C-13-N
  435046.1369  0.0031 -4.8347 3  232.2473 47  58516 3032315 9      241410        C-13-H3C-13-H2C-13-N
  435051.4480  0.0300 -3.9540 3 1013.9192101 -58516 303503020      493019        C-13-H3C-13-H2C-13-N
  435051.4480  0.0300 -3.9540 3 1013.9192101 -58516 303503021      493020        C-13-H3C-13-H2C-13-N
  435153.3847  0.0032 -5.3169 3   77.2421 47  58516 30323 419      22 220        C-13-H3C-13-H2C-13-N
  435170.8865  0.0052 -4.8424 3  266.0688 85  58516 30342 537      42 240        C-13-H3C-13-H2C-13-N
  435300.0150  0.0300 -4.0618 3 1057.7811101 -58516 303503119      493118        C-13-H3C-13-H2C-13-N
  435300.0150  0.0300 -4.0618 3 1057.7811101 -58516 303503120      493119        C-13-H3C-13-H2C-13-N
  435430.8727  0.0030 -4.7366 3  292.7051 57  58516 303281612      291515        C-13-H3C-13-H2C-13-N
  435430.8727  0.0030 -4.7366 3  292.7051 57  58516 303281613      291514        C-13-H3C-13-H2C-13-N
  435505.4543  0.0025 -3.4260 3  380.8060107  58516 30353 053      52 152        C-13-H3C-13-H2C-13-N
  435506.2969  0.0025 -2.4159 3  380.8060107  58516 30353 153      52 152        C-13-H3C-13-H2C-13-N
  435506.4200  0.0500 -2.4159 3  380.8060107 -58516 30353 053      52 052        C-13-H3C-13-H2C-13-N
  435507.3818  0.0025 -3.4260 3  380.8060107  58516 30353 153      52 052        C-13-H3C-13-H2C-13-N
  435557.0010  0.0300 -4.1735 3 1102.9627101 -58516 303503218      493217        C-13-H3C-13-H2C-13-N
  435557.0010  0.0300 -4.1735 3 1102.9627101 -58516 303503219      493218        C-13-H3C-13-H2C-13-N
  435579.8850  0.0300 -3.5954 3   85.3574 45 -58516 30322 617      21 516        C-13-H3C-13-H2C-13-N
  435603.9560  0.1000 -3.5954 3   85.3566 45 -58516 30322 616      21 517        C-13-H3C-13-H2C-13-N
  435743.3689  0.0030 -4.7238 3  361.8473 67  58516 303331716      341619        C-13-H3C-13-H2C-13-N
  435743.3689  0.0030 -4.7238 3  361.8473 67  58516 303331717      341618        C-13-H3C-13-H2C-13-N
  435778.5753  0.0149 -5.3639 3 1336.8820187  58516 303931183      931084        C-13-H3C-13-H2C-13-N
  435822.2200  0.0300 -4.2894 3 1149.4539101 -58516 303503317      493316        C-13-H3C-13-H2C-13-N
  435822.2200  0.0300 -4.2894 3 1149.4539101 -58516 303503318      493317        C-13-H3C-13-H2C-13-N
  435882.9864  0.0155 -4.9987 3  850.4860151  58516 30375 768      74 867        C-13-H3C-13-H2C-13-N
  435920.1470  0.0500 -3.7304 3  323.3871 95 -58516 30347 444      46 343        C-13-H3C-13-H2C-13-N
  435992.5940  0.0031 -4.7665 3  439.6689 77  58516 303381820      391723        C-13-H3C-13-H2C-13-N
  435992.5940  0.0031 -4.7665 3  439.6689 77  58516 303381821      391722        C-13-H3C-13-H2C-13-N
  436095.4820  0.0300 -4.4095 3 1197.2440101 -58516 303503416      493415        C-13-H3C-13-H2C-13-N
  436095.4820  0.0300 -4.4095 3 1197.2440101 -58516 303503417      493416        C-13-H3C-13-H2C-13-N
  436187.8878  0.0032 -4.8508 3  526.1640 87  58516 303431924      441827        C-13-H3C-13-H2C-13-N
  436187.8878  0.0032 -4.8508 3  526.1640 87  58516 303431925      441826        C-13-H3C-13-H2C-13-N
  436259.2190  0.0118 -5.1207 3 1205.6767177  58516 303881177      881078        C-13-H3C-13-H2C-13-N
  436338.7232  0.0031 -4.9692 3  621.3256 97  58516 303482028      491931        C-13-H3C-13-H2C-13-N
  436338.7232  0.0031 -4.9692 3  621.3256 97  58516 303482029      491930        C-13-H3C-13-H2C-13-N
  436376.4727  0.0099 -4.5341 3 1246.3224101  58516 303503515      493514        C-13-H3C-13-H2C-13-N
  436376.4727  0.0099 -4.5341 3 1246.3224101  58516 303503516      493515        C-13-H3C-13-H2C-13-N
  436454.5370  0.0042 -5.1174 3  725.1457107  58516 303532132      542035        C-13-H3C-13-H2C-13-N
  436454.5370  0.0042 -5.1174 3  725.1457107  58516 303532133      542034        C-13-H3C-13-H2C-13-N
  436544.6072  0.0085 -5.2923 3  837.6152117  58516 303582236      592139        C-13-H3C-13-H2C-13-N
  436544.6072  0.0085 -5.2923 3  837.6152117  58516 303582237      592138        C-13-H3C-13-H2C-13-N
  436595.0274  0.0032 -5.5311 3  129.5505 57  58516 30328 623      28 424        C-13-H3C-13-H2C-13-N
  436617.9625  0.0171 -5.4921 3  958.7240127  58516 303632340      642243        C-13-H3C-13-H2C-13-N
  436617.9625  0.0171 -5.4921 3  958.7240127  58516 303632341      642242        C-13-H3C-13-H2C-13-N
  436665.1936  0.0146 -4.6633 3 1296.6783101  58516 303503614      493613        C-13-H3C-13-H2C-13-N
  436665.1936  0.0146 -4.6633 3 1296.6783101  58516 303503615      493614        C-13-H3C-13-H2C-13-N
  436683.3105  0.0309 -5.7152 3 1088.4611137  58516 303682444      692347        C-13-H3C-13-H2C-13-N
  436683.3105  0.0309 -5.7152 3 1088.4611137  58516 303682445      692346        C-13-H3C-13-H2C-13-N
  436748.9799  0.0516 -5.9608 3 1226.8146147  58516 303732548      742451        C-13-H3C-13-H2C-13-N
  436748.9799  0.0516 -5.9608 3 1226.8146147  58516 303732549      742450        C-13-H3C-13-H2C-13-N
  436843.5031  0.0287 -6.1043 3 1191.6567181  58516 30390 585      90 586        C-13-H3C-13-H2C-13-N
  436909.3800  0.0300 -2.4460 3  381.7027101 -58516 30350 644      49 643        C-13-H3C-13-H2C-13-N
  436917.3287  0.0140 -5.3119 3 1310.0271185  58516 303921182      921083        C-13-H3C-13-H2C-13-N
  436961.4355  0.0213 -4.7974 3 1348.3008101  58516 303503713      493712        C-13-H3C-13-H2C-13-N
  436961.4355  0.0213 -4.7974 3 1348.3008101  58516 303503714      493713        C-13-H3C-13-H2C-13-N
  436978.6275  0.0286 -5.2504 3 1191.6522181  58516 30390 585      90 486        C-13-H3C-13-H2C-13-N
  437265.0532  0.0306 -4.9367 3 1401.1787101  58516 303503812      493811        C-13-H3C-13-H2C-13-N
  437265.0532  0.0306 -4.9367 3 1401.1787101  58516 303503813      493812        C-13-H3C-13-H2C-13-N
  437303.5820  0.0300 -3.5617 3   66.0912 35 -58516 30317 711      16 610        C-13-H3C-13-H2C-13-N
  437303.5820  0.0300 -3.5617 3   66.0912 35 -58516 30317 710      16 611        C-13-H3C-13-H2C-13-N
  437336.7452  0.0128 -5.7367 3  156.3258 67  58516 30333 330      33 033        C-13-H3C-13-H2C-13-N
  437516.7620  0.0300 -3.6642 3  121.3965 57 -58516 30328 524      27 423        C-13-H3C-13-H2C-13-N
  437575.9089  0.0429 -5.0817 3 1455.3009101  58516 303503911      493910        C-13-H3C-13-H2C-13-N
  437575.9089  0.0429 -5.0817 3 1455.3009101  58516 303503912      493911        C-13-H3C-13-H2C-13-N
  437665.5968  0.0056 -5.5208 3  278.5666 87  58516 30343 538      43 341        C-13-H3C-13-H2C-13-N
  437842.8307  0.0332 -5.6003 3  798.8086151  58516 30375 273      75 274        C-13-H3C-13-H2C-13-N
  437843.0732  0.0332 -4.8365 3  798.8086151  58516 30375 273      75 174        C-13-H3C-13-H2C-13-N
  437851.2340  0.0332 -4.8365 3  798.8086151  58516 30375 373      75 274        C-13-H3C-13-H2C-13-N
  437851.4765  0.0332 -5.6003 3  798.8086151  58516 30375 373      75 174        C-13-H3C-13-H2C-13-N
  437893.8715  0.0591 -5.2329 3 1510.6560101  58516 303504010      4940 9        C-13-H3C-13-H2C-13-N
  437893.8715  0.0591 -5.2329 3 1510.6560101  58516 303504011      494010        C-13-H3C-13-H2C-13-N
  437938.9780  0.0047 -5.9448 3   70.7493 43  58516 30321 516      21 219        C-13-H3C-13-H2C-13-N
  438076.0268  0.0329 -5.7352 3 1231.1826181  58516 30390 981      891080        C-13-H3C-13-H2C-13-N
  438077.4762  0.0131 -5.2606 3 1283.4586183  58516 303911181      911082        C-13-H3C-13-H2C-13-N
  438218.8164  0.0800 -5.3911 3 1567.2327101  58516 3035041 9      4941 8        C-13-H3C-13-H2C-13-N
  438218.8164  0.0800 -5.3911 3 1567.2327101  58516 303504110      4941 9        C-13-H3C-13-H2C-13-N
  438262.4880  0.0300 -2.4287 3  380.1326103 -58516 30351 448      50 447        C-13-H3C-13-H2C-13-N
  438315.7523  0.0032 -5.5598 3  121.3965 55  58516 30327 622      27 423        C-13-H3C-13-H2C-13-N
  438339.3943  0.0108 -5.0703 3 1180.2227175  58516 303871176      871077        C-13-H3C-13-H2C-13-N
  438508.5460  0.0300 -3.5409 3   55.5625 25 -58516 30312 8 4      11 7 5        C-13-H3C-13-H2C-13-N
  438508.5460  0.0300 -3.5409 3   55.5625 25 -58516 30312 8 5      11 7 4        C-13-H3C-13-H2C-13-N
  438513.3311  0.0281 -5.2475 3 1191.6567181  58516 30390 685      90 586        C-13-H3C-13-H2C-13-N
  438550.6245  0.1067 -5.5572 3 1625.0192101  58516 3035042 8      4942 7        C-13-H3C-13-H2C-13-N
  438550.6245  0.1067 -5.5572 3 1625.0192101  58516 3035042 9      4942 8        C-13-H3C-13-H2C-13-N
  438648.4554  0.0281 -6.1010 3 1191.6522181  58516 30390 685      90 486        C-13-H3C-13-H2C-13-N
  438867.7346  0.0082 -4.6612 3  695.9716137  58516 30368 662      67 761        C-13-H3C-13-H2C-13-N
  438889.1826  0.1401 -5.7327 3 1684.0040101  58516 3035043 7      4943 6        C-13-H3C-13-H2C-13-N
  438889.1826  0.1401 -5.7327 3 1684.0040101  58516 3035043 8      4943 7        C-13-H3C-13-H2C-13-N
  439048.4024  0.0633 -5.6746 3  703.0558143  58516 30371 170      71 171        C-13-H3C-13-H2C-13-N
  439048.4112  0.0633 -4.9370 3  703.0558143  58516 30371 170      71 071        C-13-H3C-13-H2C-13-N
  439049.0314  0.0633 -4.9370 3  703.0558143  58516 30371 270      71 171        C-13-H3C-13-H2C-13-N
  439049.0401  0.0633 -5.6746 3  703.0558143  58516 30371 270      71 071        C-13-H3C-13-H2C-13-N
  439226.4850  0.0500 -3.6032 3  386.3050105 -58516 30352 250      51 349        C-13-H3C-13-H2C-13-N
  439234.3826  0.1818 -5.9197 3 1744.1752101  58516 3035044 6      4944 5        C-13-H3C-13-H2C-13-N
  439234.3826  0.1818 -5.9197 3 1744.1752101  58516 3035044 7      4944 6        C-13-H3C-13-H2C-13-N
  439250.6405  0.0123 -5.2100 3 1257.1770181  58516 303901180      901081        C-13-H3C-13-H2C-13-N
  439586.1217  0.2332 -6.1214 3 1805.5210101  58516 3035045 5      4945 4        C-13-H3C-13-H2C-13-N
  439586.1217  0.2332 -6.1214 3 1805.5210101  58516 3035045 6      4945 5        C-13-H3C-13-H2C-13-N
  439738.7284  0.0048 -5.4099 3  435.7588107  58516 30353 747      53 548        C-13-H3C-13-H2C-13-N
  439783.6454  0.0032 -5.5915 3  113.5413 53  58516 30326 621      26 422        C-13-H3C-13-H2C-13-N
  439887.3021  0.0430 -5.8366 3 1549.7736205  58516 303A2 895      A2 796        C-13-H3C-13-H2C-13-N
  440059.9179  0.0350 -5.5230 3 1365.2509193  58516 30396 790      96 691        C-13-H3C-13-H2C-13-N
  440245.8520  0.0300 -4.0286 3  464.4047113 -58516 30356 452      55 551        C-13-H3C-13-H2C-13-N
  440266.4229  0.0100 -5.0209 3 1155.0623173  58516 303861175      861076        C-13-H3C-13-H2C-13-N
  440387.1130  0.0300 -2.4281 3  386.3050105 -58516 30352 350      51 349        C-13-H3C-13-H2C-13-N
  440402.6330  0.0300 -3.7256 3  337.0299 97 -58516 30348 445      47 344        C-13-H3C-13-H2C-13-N
  440426.1395  0.0059 -5.6969 3   65.1285 45  58516 30322 320      21 121        C-13-H3C-13-H2C-13-N
  440429.1948  0.0115 -5.1600 3 1231.1826179  58516 303891179      891080        C-13-H3C-13-H2C-13-N
  440459.1629  0.0030 -5.3938 3  184.1107 69  58516 30334 628      34 431        C-13-H3C-13-H2C-13-N
  440505.2951  0.0030 -5.4100 3  174.2663 67  58516 30333 627      33 430        C-13-H3C-13-H2C-13-N
  440557.9568  0.0031 -5.3796 3  194.2420 71  58516 30335 629      35 432        C-13-H3C-13-H2C-13-N
  440561.6910  0.0031 -5.2499 3   84.0271 49  58516 30324 420      23 221        C-13-H3C-13-H2C-13-N
  440644.3680  0.0300 -2.4275 3  386.2577105 -58516 30352 250      51 249        C-13-H3C-13-H2C-13-N
  440648.2091  0.0270 -5.8756 3 1052.8972171  58516 30385 481      85 482        C-13-H3C-13-H2C-13-N
  440660.0589  0.0255 -5.7007 3  921.9159161  58516 30380 377      80 378        C-13-H3C-13-H2C-13-N
  440662.8143  0.0255 -4.9093 3  921.9158161  58516 30380 377      80 278        C-13-H3C-13-H2C-13-N
  440669.9007  0.0030 -5.4283 3  164.7095 65  58516 30332 626      32 429        C-13-H3C-13-H2C-13-N
  440670.0748  0.0270 -5.0544 3 1052.8965171  58516 30385 481      85 382        C-13-H3C-13-H2C-13-N
  440721.9484  0.0255 -4.9091 3  921.9159161  58516 30380 477      80 378        C-13-H3C-13-H2C-13-N
  440724.7038  0.0255 -5.7006 3  921.9158161  58516 30380 477      80 278        C-13-H3C-13-H2C-13-N
  440737.5570  0.0300 -2.4117 3  370.4250101 -58516 30350 446      49 445        C-13-H3C-13-H2C-13-N
  440749.4850  0.0300 -2.4224 3  379.5486103 -58516 30351 348      50 347        C-13-H3C-13-H2C-13-N
  440830.3232  0.0032 -5.3676 3  204.6596 73  58516 30336 630      36 433        C-13-H3C-13-H2C-13-N
  440928.7409  0.0030 -5.4489 3  155.4408 63  58516 30331 625      31 428        C-13-H3C-13-H2C-13-N
  441003.0996  0.0269 -5.0538 3 1052.8972171  58516 30385 581      85 482        C-13-H3C-13-H2C-13-N
  441024.9653  0.0269 -5.8749 3 1052.8965171  58516 30385 581      85 382        C-13-H3C-13-H2C-13-N
  441029.0283  0.0032 -5.6262 3  105.9837 51  58516 30325 620      25 421        C-13-H3C-13-H2C-13-N
  441098.7798  0.0106 -5.7501 3  772.3364143  58516 30371 864      71 665        C-13-H3C-13-H2C-13-N
  441206.2960  0.0300 -2.7319 3  513.7800103 -58516 303511437      501436        C-13-H3C-13-H2C-13-N
  441206.2960  0.0300 -2.7319 3  513.7800103 -58516 303511438      501437        C-13-H3C-13-H2C-13-N
  441214.0800  0.0300 -2.6853 3  493.7588103 -58516 303511338      501337        C-13-H3C-13-H2C-13-N
  441214.0800  0.0300 -2.6853 3  493.7588103 -58516 303511339      501338        C-13-H3C-13-H2C-13-N
  441233.0400  0.0300 -2.7819 3  535.2709103 -58516 303511536      501535        C-13-H3C-13-H2C-13-N
  441233.0400  0.0300 -2.7819 3  535.2709103 -58516 303511537      501536        C-13-H3C-13-H2C-13-N
  441259.8053  0.0030 -5.4717 3  146.4608 61  58516 30330 624      30 427        C-13-H3C-13-H2C-13-N
  441265.7330  0.0300 -2.6422 3  475.2166103 -58516 303511240      501239        C-13-H3C-13-H2C-13-N
  441265.7330  0.0300 -2.6422 3  475.2166103 -58516 303511239      501238        C-13-H3C-13-H2C-13-N
  441272.0830  0.0300 -2.4215 3  375.0751101 -58516 30350 545      49 544        C-13-H3C-13-H2C-13-N
  441287.8860  0.0500 -2.8353 3  558.2231103 -58516 303511635      501634        C-13-H3C-13-H2C-13-N
  441287.8860  0.0500 -2.8353 3  558.2231103 -58516 303511636      501635        C-13-H3C-13-H2C-13-N
  441307.0832  0.0032 -5.3576 3  215.3628 75  58516 30337 631      37 434        C-13-H3C-13-H2C-13-N
  441366.3070  0.0300 -2.8921 3  582.6285103 -58516 303511734      501733        C-13-H3C-13-H2C-13-N
  441366.3070  0.0300 -2.8921 3  582.6285103 -58516 303511735      501734        C-13-H3C-13-H2C-13-N
  441375.3370  0.0300 -2.6024 3  458.1639103 -58516 303511141      501140        C-13-H3C-13-H2C-13-N
  441375.3370  0.0300 -2.6024 3  458.1639103 -58516 303511140      501139        C-13-H3C-13-H2C-13-N
  441407.3744  0.0032 -5.6571 3   52.1012 39  58516 30319 416      18 217        C-13-H3C-13-H2C-13-N
  441464.9830  0.0300 -2.9524 3  608.4793103 -58516 303511833      501832        C-13-H3C-13-H2C-13-N
  441464.9830  0.0300 -2.9524 3  608.4793103 -58516 303511834      501833        C-13-H3C-13-H2C-13-N
  441565.1900  0.0300 -2.5660 3  442.6145103 -58516 303511042      501041        C-13-H3C-13-H2C-13-N
  441565.1900  0.0300 -2.5660 3  442.6145103 -58516 303511041      501040        C-13-H3C-13-H2C-13-N
  441581.4380  0.0300 -3.0161 3  635.7677103 -58516 303511932      501931        C-13-H3C-13-H2C-13-N
  441581.4380  0.0300 -3.0161 3  635.7677103 -58516 303511933      501932        C-13-H3C-13-H2C-13-N
  441606.2674  0.0108 -5.1106 3 1205.4758177  58516 303881178      881079        C-13-H3C-13-H2C-13-N
  441643.3186  0.0030 -5.4968 3  137.7700 59  58516 30329 623      29 426        C-13-H3C-13-H2C-13-N
  441713.8180  0.0300 -3.0833 3  664.4857103 -58516 303512031      502030        C-13-H3C-13-H2C-13-N
  441713.8180  0.0300 -3.0833 3  664.4857103 -58516 303512032      502031        C-13-H3C-13-H2C-13-N
  441721.0078  0.0521 -5.9538 3 1608.4555209  58516 303A4 797      A4 698        C-13-H3C-13-H2C-13-N
  441765.6296  0.0047 -6.0511 3   64.5504 41  58516 30320 515      20 218        C-13-H3C-13-H2C-13-N
  441804.9946  0.0013 -3.5979 3  386.2577105  58516 30352 350      51 249        C-13-H3C-13-H2C-13-N
  441838.5102  0.0080 -5.9534 3   91.1672 51  58516 30325 422      25 125        C-13-H3C-13-H2C-13-N
  441860.6660  0.0300 -3.1540 3  694.6254103 -58516 303512130      502129        C-13-H3C-13-H2C-13-N
  441860.6660  0.0300 -3.1540 3  694.6254103 -58516 303512131      502130        C-13-H3C-13-H2C-13-N
  441871.9340  0.0300 -2.5329 3  428.5868103 -58516 30351 943      50 942        C-13-H3C-13-H2C-13-N
  441873.7000  0.0500 -2.5329 3  428.5869103 -58516 30351 942      50 941        C-13-H3C-13-H2C-13-N
  441890.5166  0.0070 -4.2476 3  118.9833 59  58516 30329 326      28 227        C-13-H3C-13-H2C-13-N
  441947.5120  0.0500 -3.5051 3  391.3647107 -58516 30353 152      52 251        C-13-H3C-13-H2C-13-N
  441990.8230  0.0300 -2.4263 3  391.3647107 -58516 30353 252      52 251        C-13-H3C-13-H2C-13-N
  442002.0170  0.0300 -2.4263 3  391.3629107 -58516 30353 152      52 151        C-13-H3C-13-H2C-13-N
  442020.8470  0.0500 -3.2281 3  726.1784103 -58516 303512229      502228        C-13-H3C-13-H2C-13-N
  442020.8470  0.0500 -3.2281 3  726.1784103 -58516 303512230      502229        C-13-H3C-13-H2C-13-N
  442021.2152  0.0033 -5.3497 3  226.3508 77  58516 30338 632      38 435        C-13-H3C-13-H2C-13-N
  442045.3257  0.0016 -3.5049 3  391.3629107  58516 30353 252      52 151        C-13-H3C-13-H2C-13-N
  442054.1909  0.0092 -4.9724 3 1130.1948171  58516 303851174      851075        C-13-H3C-13-H2C-13-N
  442061.7329  0.0030 -5.5244 3  129.3687 57  58516 30328 622      28 425        C-13-H3C-13-H2C-13-N
  442071.8930  0.0300 -3.6587 3  121.2573 57 -58516 30328 523      27 424        C-13-H3C-13-H2C-13-N
  442080.3952  0.0033 -5.6642 3   98.7227 49  58516 30324 619      24 420        C-13-H3C-13-H2C-13-N
  442193.4370  0.0500 -3.3058 3  759.1363103 -58516 303512328      502327        C-13-H3C-13-H2C-13-N
  442193.4370  0.0500 -3.3058 3  759.1363103 -58516 303512329      502328        C-13-H3C-13-H2C-13-N
  442256.8686  0.0057 -5.0391 3   65.0674 45  58516 30322 320      21 021        C-13-H3C-13-H2C-13-N
  442286.8300  0.0300 -2.4379 3  387.8265103 -58516 30351 547      50 546        C-13-H3C-13-H2C-13-N
  442320.5095  0.0384 -5.5752 3 1392.6593195  58516 30397 691      97 592        C-13-H3C-13-H2C-13-N
  442353.2630  0.0300 -2.5030 3  416.1089103 -58516 30351 844      50 843        C-13-H3C-13-H2C-13-N
  442377.6700  0.0300 -3.3869 3  793.4906103 -58516 303512427      502426        C-13-H3C-13-H2C-13-N
  442377.6700  0.0300 -3.3869 3  793.4906103 -58516 303512428      502427        C-13-H3C-13-H2C-13-N
  442382.3330  0.0300 -2.5030 3  416.1117103 -58516 30351 843      50 842        C-13-H3C-13-H2C-13-N
  442499.7033  0.0031 -5.5546 3  121.2573 55  58516 30327 621      27 424        C-13-H3C-13-H2C-13-N
  442572.9700  0.0300 -3.4716 3  829.2324103 -58516 303512526      502525        C-13-H3C-13-H2C-13-N
  442572.9700  0.0300 -3.4716 3  829.2324103 -58516 303512527      502526        C-13-H3C-13-H2C-13-N
  442775.7347  0.0101 -5.0620 3 1180.0567175  58516 303871177      871078        C-13-H3C-13-H2C-13-N
  442778.8060  0.0300 -3.5599 3  866.3527103 -58516 303512625      502624        C-13-H3C-13-H2C-13-N
  442778.8060  0.0300 -3.5599 3  866.3527103 -58516 303512626      502625        C-13-H3C-13-H2C-13-N
  442944.0424  0.0031 -5.5875 3  113.4361 53  58516 30326 620      26 423        C-13-H3C-13-H2C-13-N
  442963.8881  0.0033 -5.7057 3   91.7572 47  58516 30323 618      23 419        C-13-H3C-13-H2C-13-N
  442994.7420  0.0300 -3.6518 3  904.8423103 -58516 303512724      502723        C-13-H3C-13-H2C-13-N
  442994.7420  0.0300 -3.6518 3  904.8423103 -58516 303512725      502724        C-13-H3C-13-H2C-13-N
  443007.8445  0.0034 -5.3439 3  237.6228 79  58516 30339 633      39 436        C-13-H3C-13-H2C-13-N
  443030.5290  0.0300 -2.4765 3  405.2185103 -58516 30351 745      50 744        C-13-H3C-13-H2C-13-N
  443201.0762  0.0033 -5.2276 3  174.9885 35  58516 3031714 3      1813 6        C-13-H3C-13-H2C-13-N
  443201.0762  0.0033 -5.2276 3  174.9885 35  58516 3031714 4      1813 5        C-13-H3C-13-H2C-13-N
  443220.4020  0.0300 -3.7473 3  944.6917103 -58516 303512823      502822        C-13-H3C-13-H2C-13-N
  443220.4020  0.0300 -3.7473 3  944.6917103 -58516 303512824      502823        C-13-H3C-13-H2C-13-N
  443372.8450  0.0300 -2.4759 3  405.2577103 -58516 30351 744      50 743        C-13-H3C-13-H2C-13-N
  443383.6522  0.0032 -5.6232 3  105.9053 51  58516 30325 619      25 422        C-13-H3C-13-H2C-13-N
  443455.4350  0.0300 -3.8465 3  985.8912103 -58516 303512922      502921        C-13-H3C-13-H2C-13-N
  443455.4350  0.0300 -3.8465 3  985.8912103 -58516 303512923      502922        C-13-H3C-13-H2C-13-N
  443485.1350  0.0300 -2.4541 3  395.9008103 -58516 30351 646      50 645        C-13-H3C-13-H2C-13-N
  443624.2432  0.0026 -3.4317 3  395.3329109  58516 30354 054      53 153        C-13-H3C-13-H2C-13-N
  443624.9900  0.0300 -2.4222 3  395.3329109 -58516 30354 154      53 153        C-13-H3C-13-H2C-13-N
  443624.9900  0.0300 -2.4222 3  395.3329109 -58516 30354 054      53 053        C-13-H3C-13-H2C-13-N
  443625.7401  0.0026 -3.4317 3  395.3329109  58516 30354 154      53 053        C-13-H3C-13-H2C-13-N
  443652.2826  0.0032 -4.8819 3  225.3131 45  58516 3032215 7      231410        C-13-H3C-13-H2C-13-N
  443652.2826  0.0032 -4.8819 3  225.3131 45  58516 3032215 8      2314 9        C-13-H3C-13-H2C-13-N
  443699.5830  0.0300 -3.9494 3 1028.4310103 -58516 303513021      503020        C-13-H3C-13-H2C-13-N
  443699.5830  0.0300 -3.9494 3 1028.4310103 -58516 303513022      503021        C-13-H3C-13-H2C-13-N
  443700.6253  0.0298 -6.1425 3 1217.2666183  58516 30391 586      91 587        C-13-H3C-13-H2C-13-N
  443703.0316  0.0034 -5.7508 3   85.0864 45  58516 30322 617      22 418        C-13-H3C-13-H2C-13-N
  443715.3957  0.0085 -4.9248 3 1105.6199169  58516 303841173      841074        C-13-H3C-13-H2C-13-N
  443775.9930  0.0300 -3.7640 3  409.6446107 -58516 30353 350      52 449        C-13-H3C-13-H2C-13-N
  443809.4326  0.0032 -5.6620 3   98.6651 49  58516 30324 618      24 421        C-13-H3C-13-H2C-13-N
  443811.8064  0.0298 -5.2903 3 1217.2629183  58516 30391 586      91 487        C-13-H3C-13-H2C-13-N
  443932.2039  0.0094 -5.0140 3 1154.9256173  58516 303861176      861077        C-13-H3C-13-H2C-13-N
  443952.5860  0.0300 -4.0562 3 1072.3011103 -58516 303513120      503119        C-13-H3C-13-H2C-13-N
  443952.5860  0.0300 -4.0562 3 1072.3011103 -58516 303513121      503120        C-13-H3C-13-H2C-13-N
  444020.3886  0.0031 -4.7541 3  284.3258 55  58516 303271611      281514        C-13-H3C-13-H2C-13-N
  444020.3886  0.0031 -4.7541 3  284.3258 55  58516 303271612      281513        C-13-H3C-13-H2C-13-N
  444106.2160  0.0300 -3.5828 3   91.7191 47 -58516 30323 618      22 517        C-13-H3C-13-H2C-13-N
  444129.1796  0.0054 -4.8569 3  278.3510 87  58516 30343 538      43 241        C-13-H3C-13-H2C-13-N
  444144.2602  0.0019 -3.5827 3   91.7179 47  58516 30323 617      22 518        C-13-H3C-13-H2C-13-N
  444214.1661  0.0033 -5.7040 3   91.7156 47  58516 30323 617      23 420        C-13-H3C-13-H2C-13-N
  444214.1640  0.0300 -4.1668 3 1117.4914103 -58516 303513219      503218        C-13-H3C-13-H2C-13-N
  444214.1640  0.0300 -4.1668 3 1117.4914103 -58516 303513220      503219        C-13-H3C-13-H2C-13-N
  444259.3201  0.0351 -5.6310 3  819.7580153  58516 30376 274      76 275        C-13-H3C-13-H2C-13-N
  444259.5112  0.0351 -4.8675 3  819.7580153  58516 30376 274      76 175        C-13-H3C-13-H2C-13-N
  444266.0479  0.0351 -4.8675 3  819.7580153  58516 30376 374      76 275        C-13-H3C-13-H2C-13-N
  444266.2389  0.0351 -5.6310 3  819.7580153  58516 30376 374      76 175        C-13-H3C-13-H2C-13-N
  444304.2371  0.0036 -5.3402 3  249.1781 81  58516 30340 634      40 437        C-13-H3C-13-H2C-13-N
  444313.3981  0.0031 -4.7248 3  352.0230 65  58516 303321715      331618        C-13-H3C-13-H2C-13-N
  444313.3981  0.0031 -4.7248 3  352.0230 65  58516 303321716      331617        C-13-H3C-13-H2C-13-N
  444318.6693  0.0034 -5.7999 3   78.7095 43  58516 30321 616      21 417        C-13-H3C-13-H2C-13-N
  444484.1675  0.0048 -4.2814 3 1163.9914103  58516 303513318      503317        C-13-H3C-13-H2C-13-N
  444484.1675  0.0048 -4.2814 3 1163.9914103  58516 303513319      503318        C-13-H3C-13-H2C-13-N
  444540.1042  0.0031 -4.7564 3  428.4003 75  58516 303371819      381722        C-13-H3C-13-H2C-13-N
  444540.1042  0.0031 -4.7564 3  428.4003 75  58516 303371820      381721        C-13-H3C-13-H2C-13-N
  444592.3821  0.0034 -5.7496 3   85.0568 45  58516 30322 616      22 419        C-13-H3C-13-H2C-13-N
  444709.6800  0.0300 -4.8324 3  513.4519 85 -58516 303421923      431826        C-13-H3C-13-H2C-13-N
  444709.6800  0.0300 -4.8324 3  513.4519 85 -58516 303421924      431825        C-13-H3C-13-H2C-13-N
  444762.3544  0.0066 -4.4001 3 1211.7906103  58516 303513417      503416        C-13-H3C-13-H2C-13-N
  444762.3544  0.0066 -4.4001 3 1211.7906103  58516 303513418      503417        C-13-H3C-13-H2C-13-N
  444818.1500  0.0300 -3.6608 3  129.5505 59 -58516 30329 525      28 424        C-13-H3C-13-H2C-13-N
  444829.0436  0.0035 -5.8532 3   72.6257 41  58516 30320 615      20 416        C-13-H3C-13-H2C-13-N
  444831.7100  0.0031 -4.9441 3  607.1710 95  58516 303472027      481930        C-13-H3C-13-H2C-13-N
  444831.7100  0.0031 -4.9441 3  607.1710 95  58516 303472028      481929        C-13-H3C-13-H2C-13-N
  444915.4455  0.0041 -5.0865 3  709.5498105  58516 303522131      532034        C-13-H3C-13-H2C-13-N
  444915.4455  0.0041 -5.0865 3  709.5498105  58516 303522132      532033        C-13-H3C-13-H2C-13-N
  444940.2030  0.0034 -5.7990 3   78.6888 43  58516 30321 615      21 418        C-13-H3C-13-H2C-13-N
  444970.2385  0.0085 -5.2564 3  820.5794115  58516 303572235      582138        C-13-H3C-13-H2C-13-N
  444970.2385  0.0085 -5.2564 3  820.5794115  58516 303572236      582137        C-13-H3C-13-H2C-13-N
  445005.1618  0.0170 -5.4515 3  940.2501125  58516 303622339      632242        C-13-H3C-13-H2C-13-N
  445005.1618  0.0170 -5.4515 3  940.2501125  58516 303622340      632241        C-13-H3C-13-H2C-13-N
  445028.9889  0.0308 -5.6704 3 1068.5510135  58516 303672443      682346        C-13-H3C-13-H2C-13-N
  445028.9889  0.0308 -5.6704 3 1068.5510135  58516 303672444      682345        C-13-H3C-13-H2C-13-N
  445048.5556  0.0097 -4.5231 3 1260.8784103  58516 303513516      503515        C-13-H3C-13-H2C-13-N
  445048.5556  0.0097 -4.5231 3 1260.8784103  58516 303513517      503516        C-13-H3C-13-H2C-13-N
  445050.1325  0.0515 -5.9119 3 1205.4702145  58516 303722547      732450        C-13-H3C-13-H2C-13-N
  445050.1325  0.0515 -5.9119 3 1205.4702145  58516 303722548      732449        C-13-H3C-13-H2C-13-N
  445070.9851  0.0088 -4.9667 3 1130.0827171  58516 303851175      851076        C-13-H3C-13-H2C-13-N
  445101.3463  0.0293 -5.2879 3 1217.2666183  58516 30391 686      91 587        C-13-H3C-13-H2C-13-N
  445207.0580  0.0300 -3.7218 3  350.9381 99 -58516 30349 446      48 345        C-13-H3C-13-H2C-13-N
  445212.5274  0.0293 -6.1398 3 1217.2629183  58516 30391 686      91 487        C-13-H3C-13-H2C-13-N
  445249.9709  0.0036 -5.9113 3   66.8345 39  58516 30319 614      19 415        C-13-H3C-13-H2C-13-N
  445255.1762  0.0035 -5.8527 3   72.6115 41  58516 30320 614      20 417        C-13-H3C-13-H2C-13-N
  445261.5598  0.0078 -4.8781 3 1081.3369167  58516 303831172      831073        C-13-H3C-13-H2C-13-N
  445342.6011  0.0145 -4.6504 3 1311.2439103  58516 303513615      503614        C-13-H3C-13-H2C-13-N
  445342.6011  0.0145 -4.6504 3 1311.2439103  58516 303513616      503615        C-13-H3C-13-H2C-13-N
  445394.4809  0.0081 -5.8801 3  224.3700 79  58516 30339 435      39 238        C-13-H3C-13-H2C-13-N
  445453.7918  0.0666 -5.7030 3  722.7154145  58516 30372 171      72 172        C-13-H3C-13-H2C-13-N
  445453.7986  0.0666 -4.9654 3  722.7154145  58516 30372 171      72 072        C-13-H3C-13-H2C-13-N
  445454.2875  0.0666 -4.9654 3  722.7154145  58516 30372 271      72 172        C-13-H3C-13-H2C-13-N
  445454.2943  0.0666 -5.7030 3  722.7154145  58516 30372 271      72 072        C-13-H3C-13-H2C-13-N
  445493.4101  0.0036 -6.0997 3   31.7233 31  58516 30315 412      14 113        C-13-H3C-13-H2C-13-N
  445536.0983  0.0036 -5.9109 3   66.8250 39  58516 30319 613      19 416        C-13-H3C-13-H2C-13-N
  445595.0696  0.0037 -5.9745 3   61.3352 37  58516 30318 613      18 414        C-13-H3C-13-H2C-13-N
  445600.6083  0.0034 -3.8525 3  140.9531 63  58516 30331 427      30 328        C-13-H3C-13-H2C-13-N
  445644.3311  0.0213 -4.7824 3 1362.8762103  58516 303513714      503713        C-13-H3C-13-H2C-13-N
  445644.3311  0.0213 -4.7824 3 1362.8762103  58516 303513715      503714        C-13-H3C-13-H2C-13-N
  445782.8341  0.0037 -5.9743 3   61.3290 37  58516 30318 612      18 415        C-13-H3C-13-H2C-13-N
  445851.6564  0.0261 -5.3599 3 1044.0471167  58516 30383 875      82 974        C-13-H3C-13-H2C-13-N
  445876.0120  0.0037 -6.0436 3   56.1275 35  58516 30317 612      17 413        C-13-H3C-13-H2C-13-N
  445941.1010  0.0300 -3.5452 3   71.0003 37 -58516 30318 712      17 611        C-13-H3C-13-H2C-13-N
  445941.1010  0.0300 -3.5452 3   71.0003 37 -58516 30318 711      17 612        C-13-H3C-13-H2C-13-N
  445949.7991  0.0037 -5.3387 3  261.0158 83  58516 30341 635      41 438        C-13-H3C-13-H2C-13-N
  445953.5948  0.0306 -4.9192 3 1415.7643103  58516 303513813      503812        C-13-H3C-13-H2C-13-N
  445953.5948  0.0306 -4.9192 3 1415.7643103  58516 303513814      503813        C-13-H3C-13-H2C-13-N
  445989.2820  0.0300 -2.4500 3  396.2765103 -58516 30351 645      50 644        C-13-H3C-13-H2C-13-N
  445996.1387  0.0037 -6.0434 3   56.1235 35  58516 30317 611      17 414        C-13-H3C-13-H2C-13-N
  446102.7784  0.0038 -6.1193 3   51.2108 33  58516 30316 611      16 412        C-13-H3C-13-H2C-13-N
  446117.0500  0.0030 -5.1853 3   91.1028 51  58516 30325 421      24 222        C-13-H3C-13-H2C-13-N
  446177.4844  0.0038 -6.1192 3   51.2083 33  58516 30316 610      16 413        C-13-H3C-13-H2C-13-N
  446188.0577  0.0082 -4.9202 3 1105.5283169  58516 303841174      841075        C-13-H3C-13-H2C-13-N
  446270.2494  0.0432 -5.0613 3 1469.8969103  58516 303513912      503911        C-13-H3C-13-H2C-13-N
  446270.2494  0.0432 -5.0613 3 1469.8969103  58516 303513913      503912        C-13-H3C-13-H2C-13-N
  446301.7194  0.0462 -5.8849 3 1579.0077207  58516 303A3 896      A3 797        C-13-H3C-13-H2C-13-N
  446369.8276  0.0080 -5.1813 3  224.3375 79  58516 30339 435      39 138        C-13-H3C-13-H2C-13-N
  446485.3860  0.0300 -2.4348 3  394.7514105 -58516 30352 449      51 448        C-13-H3C-13-H2C-13-N
  446594.1593  0.0596 -5.2090 3 1525.2626103  58516 303514011      504010        C-13-H3C-13-H2C-13-N
  446594.1593  0.0596 -5.2090 3 1525.2626103  58516 303514012      504011        C-13-H3C-13-H2C-13-N
  446649.7916  0.0369 -5.5672 3 1392.6753195  58516 30397 791      97 692        C-13-H3C-13-H2C-13-N
  446703.0759  0.0073 -4.8322 3 1057.3455165  58516 303821171      821072        C-13-H3C-13-H2C-13-N
  446925.1954  0.0809 -5.3629 3 1581.8501103  58516 303514110      5041 9        C-13-H3C-13-H2C-13-N
  446925.1954  0.0809 -5.3629 3 1581.8501103  58516 303514111      504110        C-13-H3C-13-H2C-13-N
  447122.4332  0.0270 -5.7343 3  944.4213163  58516 30381 378      81 379        C-13-H3C-13-H2C-13-N
  447124.6361  0.0270 -4.9435 3  944.4213163  58516 30381 378      81 279        C-13-H3C-13-H2C-13-N
  447170.9460  0.0300 -3.5235 3   59.0263 27 -58516 30313 8 5      12 7 6        C-13-H3C-13-H2C-13-N
  447170.9460  0.0300 -3.5235 3   59.0263 27 -58516 30313 8 6      12 7 5        C-13-H3C-13-H2C-13-N
  447172.7460  0.0270 -4.9434 3  944.4213163  58516 30381 478      81 379        C-13-H3C-13-H2C-13-N
  447174.9489  0.0270 -5.7342 3  944.4213163  58516 30381 478      81 279        C-13-H3C-13-H2C-13-N
  447226.8460  0.0283 -5.9118 3 1076.9560173  58516 30386 482      86 483        C-13-H3C-13-H2C-13-N
  447244.5804  0.0282 -5.0917 3 1076.9554173  58516 30386 482      86 383        C-13-H3C-13-H2C-13-N
  447263.2349  0.1079 -5.5237 3 1639.6477103  58516 3035142 9      5042 8        C-13-H3C-13-H2C-13-N
  447263.2349  0.1079 -5.5237 3 1639.6477103  58516 303514210      5042 9        C-13-H3C-13-H2C-13-N
  447280.0297  0.0077 -4.8743 3 1081.2623167  58516 303831173      831074        C-13-H3C-13-H2C-13-N
  447519.8261  0.0282 -5.0912 3 1076.9560173  58516 30386 582      86 483        C-13-H3C-13-H2C-13-N
  447528.4817  0.0047 -5.4007 3  420.1380105  58516 30352 746      52 547        C-13-H3C-13-H2C-13-N
  447537.5605  0.0282 -5.9112 3 1076.9554173  58516 30386 582      86 383        C-13-H3C-13-H2C-13-N
  447561.8960  0.0500 -3.6043 3  400.9948107 -58516 30353 251      52 350        C-13-H3C-13-H2C-13-N
  447608.1603  0.1419 -5.6924 3 1698.6438103  58516 3035143 8      5043 7        C-13-H3C-13-H2C-13-N
  447608.1603  0.1419 -5.6924 3 1698.6438103  58516 3035143 9      5043 8        C-13-H3C-13-H2C-13-N
  447959.8601  0.1843 -5.8705 3 1758.8265103  58516 3035144 7      5044 6        C-13-H3C-13-H2C-13-N
  447959.8601  0.1843 -5.8705 3 1758.8265103  58516 3035144 8      5044 7        C-13-H3C-13-H2C-13-N
  447986.0735  0.0038 -5.3394 3  273.1352 85  58516 30342 636      42 439        C-13-H3C-13-H2C-13-N
  448049.2709  0.0067 -4.7872 3 1033.6454163  58516 303811170      811071        C-13-H3C-13-H2C-13-N
  448249.3721  0.0098 -4.8366 3   91.1672 53  58516 30326 224      25 125        C-13-H3C-13-H2C-13-N
  448318.2281  0.2365 -6.0600 3 1820.1840103  58516 3035145 6      5045 5        C-13-H3C-13-H2C-13-N
  448318.2281  0.2365 -6.0600 3 1820.1840103  58516 3035145 7      5045 6        C-13-H3C-13-H2C-13-N
  448344.0933  0.0072 -4.8292 3 1057.2851165  58516 303821172      821073        C-13-H3C-13-H2C-13-N
  448510.2740  0.0300 -2.4348 3  400.9948107 -58516 30353 351      52 350        C-13-H3C-13-H2C-13-N
  448525.6495  0.0046 -4.3270 3  574.4454125  58516 30362 557      61 656        C-13-H3C-13-H2C-13-N
  448675.0630  0.0500 -2.4293 3  394.2504105 -58516 30352 349      51 348        C-13-H3C-13-H2C-13-N
  448722.5690  0.0300 -2.4343 3  400.9560107 -58516 30353 251      52 250        C-13-H3C-13-H2C-13-N
  448832.8966  0.0058 -5.5501 3  291.0807 89  58516 30344 539      44 342        C-13-H3C-13-H2C-13-N
  449018.0202  0.0096 -5.5403 3   91.1415 53  58516 30326 224      25 025        C-13-H3C-13-H2C-13-N
  449069.5670  0.0300 -2.4178 3  385.1264103 -58516 30351 447      50 446        C-13-H3C-13-H2C-13-N
  449308.4818  0.0063 -4.7431 3 1010.2362161  58516 303801169      801070        C-13-H3C-13-H2C-13-N
  449377.9769  0.0067 -4.7848 3 1033.5966163  58516 303811171      811072        C-13-H3C-13-H2C-13-N
  449553.9327  0.0402 -5.6190 3 1420.3516197  58516 30398 692      98 593        C-13-H3C-13-H2C-13-N
  449670.9099  0.0013 -3.6001 3  400.9560107  58516 30353 351      52 250        C-13-H3C-13-H2C-13-N
  449680.6021  0.0556 -6.0006 3 1638.2260211  58516 303A5 798      A5 699        C-13-H3C-13-H2C-13-N
  449758.5345  0.0101 -5.7286 3  751.4792141  58516 30370 863      70 664        C-13-H3C-13-H2C-13-N
  449828.5680  0.0300 -2.7363 3  528.4971105 -58516 303521438      511437        C-13-H3C-13-H2C-13-N
  449828.5680  0.0300 -2.7363 3  528.4971105 -58516 303521439      511438        C-13-H3C-13-H2C-13-N
  449841.6930  0.0300 -2.6899 3  508.4761105 -58516 303521339      511338        C-13-H3C-13-H2C-13-N
  449841.6930  0.0300 -2.6899 3  508.4761105 -58516 303521340      511339        C-13-H3C-13-H2C-13-N
  449851.6870  0.0300 -2.7860 3  549.9889105 -58516 303521537      511536        C-13-H3C-13-H2C-13-N
  449851.6870  0.0300 -2.7860 3  549.9889105 -58516 303521538      511537        C-13-H3C-13-H2C-13-N
  449900.9660  0.0300 -2.6469 3  489.9356105 -58516 303521241      511240        C-13-H3C-13-H2C-13-N
  449900.9660  0.0300 -2.6469 3  489.9356105 -58516 303521240      511239        C-13-H3C-13-H2C-13-N
  449904.2240  0.0300 -2.8392 3  572.9429105 -58516 303521636      511635        C-13-H3C-13-H2C-13-N
  449904.2240  0.0300 -2.8392 3  572.9429105 -58516 303521637      511636        C-13-H3C-13-H2C-13-N
  449981.3510  0.0300 -2.8958 3  597.3509105 -58516 303521735      511734        C-13-H3C-13-H2C-13-N
  449981.3510  0.0300 -2.8958 3  597.3509105 -58516 303521736      511735        C-13-H3C-13-H2C-13-N
  450021.3520  0.0300 -2.6073 3  472.8866105 -58516 303521142      511141        C-13-H3C-13-H2C-13-N
  450021.3520  0.0300 -2.6073 3  472.8866105 -58516 303521141      511140        C-13-H3C-13-H2C-13-N
  450071.3070  0.0300 -3.5100 3  406.1079109 -58516 30354 153      53 252        C-13-H3C-13-H2C-13-N
  450079.5990  0.0300 -2.9558 3  623.2050105 -58516 303521834      511833        C-13-H3C-13-H2C-13-N
  450079.5990  0.0300 -2.9558 3  623.2050105 -58516 303521835      511834        C-13-H3C-13-H2C-13-N
  450105.6960  0.0300 -2.4333 3  406.1079109 -58516 30354 253      53 252        C-13-H3C-13-H2C-13-N
  450114.6180  0.0300 -2.4333 3  406.1065109 -58516 30354 153      53 152        C-13-H3C-13-H2C-13-N
  450149.0080  0.0300 -3.5098 3  406.1065109 -58516 30354 253      53 152        C-13-H3C-13-H2C-13-N
  450192.1075  0.0061 -4.9952 3  118.7064 59  58516 30329 326      28 127        C-13-H3C-13-H2C-13-N
  450196.3360  0.0300 -3.0192 3  650.4973105 -58516 303521933      511932        C-13-H3C-13-H2C-13-N
  450196.3360  0.0300 -3.0192 3  650.4973105 -58516 303521934      511933        C-13-H3C-13-H2C-13-N
  450226.6670  0.0300 -2.5710 3  457.3435105 -58516 303521043      511042        C-13-H3C-13-H2C-13-N
  450226.6670  0.0300 -2.5710 3  457.3435105 -58516 303521042      511041        C-13-H3C-13-H2C-13-N
  450329.5660  0.0300 -3.0861 3  679.2197105 -58516 303522032      512031        C-13-H3C-13-H2C-13-N
  450329.5660  0.0300 -3.0861 3  679.2197105 -58516 303522033      512032        C-13-H3C-13-H2C-13-N
  450332.0140  0.0017 -3.7188 3  365.1111101  58516 30350 447      49 346        C-13-H3C-13-H2C-13-N
  450334.1270  0.0300 -2.4260 3  389.7943103 -58516 30351 546      50 545        C-13-H3C-13-H2C-13-N
  450379.8969  0.0063 -4.7411 3 1010.1970161  58516 303801170      801071        C-13-H3C-13-H2C-13-N
  450456.7278  0.0040 -5.3424 3  285.5353 87  58516 30343 637      43 440        C-13-H3C-13-H2C-13-N
  450477.7770  0.0300 -3.1564 3  709.3643105 -58516 303522131      512130        C-13-H3C-13-H2C-13-N
  450477.7770  0.0300 -3.1564 3  709.3643105 -58516 303522132      512131        C-13-H3C-13-H2C-13-N
  450488.1385  0.0058 -4.6997 3  987.1178159  58516 303791168      791069        C-13-H3C-13-H2C-13-N
  450555.9390  0.0300 -2.5380 3  443.3260105 -58516 30352 944      51 943        C-13-H3C-13-H2C-13-N
  450558.3490  0.0300 -2.5380 3  443.3262105 -58516 30352 943      51 942        C-13-H3C-13-H2C-13-N
  450599.3682  0.0310 -5.3311 3 1243.1398185  58516 30392 587      92 488        C-13-H3C-13-H2C-13-N
  450639.7650  0.0300 -3.2301 3  740.9226105 -58516 303522230      512229        C-13-H3C-13-H2C-13-N
  450639.7650  0.0300 -3.2301 3  740.9226105 -58516 303522231      512230        C-13-H3C-13-H2C-13-N
  450669.2054  0.0370 -5.6625 3  840.9763155  58516 30377 275      77 276        C-13-H3C-13-H2C-13-N
  450669.3559  0.0370 -4.8992 3  840.9763155  58516 30377 275      77 176        C-13-H3C-13-H2C-13-N
  450674.5899  0.0370 -4.8992 3  840.9763155  58516 30377 375      77 276        C-13-H3C-13-H2C-13-N
  450674.7404  0.0370 -5.6625 3  840.9763155  58516 30377 375      77 176        C-13-H3C-13-H2C-13-N
  450744.5460  0.0500 -2.4439 3  402.5796105 -58516 30352 548      51 547        C-13-H3C-13-H2C-13-N
  450803.6207  0.0017 -3.6539 3  129.3687 59  58516 30329 524      28 425        C-13-H3C-13-H2C-13-N
  450814.5530  0.0300 -3.3074 3  773.8863105 -58516 303522329      512328        C-13-H3C-13-H2C-13-N
  450814.5530  0.0300 -3.3074 3  773.8863105 -58516 303522330      512329        C-13-H3C-13-H2C-13-N
  451001.3760  0.0300 -3.3881 3  808.2467105 -58516 303522428      512427        C-13-H3C-13-H2C-13-N
  451001.3760  0.0300 -3.3881 3  808.2467105 -58516 303522429      512428        C-13-H3C-13-H2C-13-N
  451068.8670  0.0300 -2.5083 3  430.8642105 -58516 30352 845      51 844        C-13-H3C-13-H2C-13-N
  451107.1090  0.0300 -2.5082 3  430.8680105 -58516 30352 844      51 843        C-13-H3C-13-H2C-13-N
  451199.5550  0.0500 -3.4723 3  843.9951105 -58516 303522527      512526        C-13-H3C-13-H2C-13-N
  451199.5550  0.0500 -3.4723 3  843.9951105 -58516 303522528      512527        C-13-H3C-13-H2C-13-N
  451348.5084  0.0058 -4.6981 3  987.0864159  58516 303791169      791070        C-13-H3C-13-H2C-13-N
  451408.5580  0.0500 -3.5600 3  881.1223105 -58516 303522626      512625        C-13-H3C-13-H2C-13-N
  451408.5580  0.0500 -3.5600 3  881.1223105 -58516 303522627      512626        C-13-H3C-13-H2C-13-N
  451594.8484  0.0054 -4.6571 3  964.2897157  58516 303781167      781068        C-13-H3C-13-H2C-13-N
  451627.9570  0.0500 -3.6513 3  919.6190105 -58516 303522725      512724        C-13-H3C-13-H2C-13-N
  451627.9570  0.0500 -3.6513 3  919.6190105 -58516 303522726      512725        C-13-H3C-13-H2C-13-N
  451681.6947  0.0306 -5.3292 3 1243.1428185  58516 30392 687      92 588        C-13-H3C-13-H2C-13-N
  451740.9684  0.0027 -3.4385 3  410.1307111  58516 30355 055      54 154        C-13-H3C-13-H2C-13-N
  451741.5520  0.0300 -2.4296 3  410.1307111 -58516 30355 155      54 154        C-13-H3C-13-H2C-13-N
  451741.5520  0.0300 -2.4296 3  410.1307111 -58516 30355 055      54 054        C-13-H3C-13-H2C-13-N
  451742.1307  0.0027 -3.4385 3  410.1307111  58516 30355 155      54 054        C-13-H3C-13-H2C-13-N
  451771.3710  0.0300 -2.4819 3  419.9964105 -58516 30352 746      51 745        C-13-H3C-13-H2C-13-N
  451823.1912  0.0034 -5.3973 3  169.7883 33  58516 3031614 2      1713 5        C-13-H3C-13-H2C-13-N
  451823.1912  0.0034 -5.3973 3  169.7883 33  58516 3031614 3      1713 4        C-13-H3C-13-H2C-13-N
  451854.7860  0.0700 -5.7323 3  742.6443147  58516 30373 172      73 173        C-13-H3C-13-H2C-13-N
  451854.7913  0.0700 -4.9945 3  742.6443147  58516 30373 172      73 073        C-13-H3C-13-H2C-13-N
  451855.1767  0.0700 -4.9945 3  742.6443147  58516 30373 272      73 173        C-13-H3C-13-H2C-13-N
  451855.1819  0.0700 -5.7322 3  742.6443147  58516 30373 272      73 073        C-13-H3C-13-H2C-13-N
  451857.3020  0.0500 -3.7461 3  959.4759105 -58516 303522824      512823        C-13-H3C-13-H2C-13-N
  451857.3020  0.0500 -3.7461 3  959.4759105 -58516 303522825      512824        C-13-H3C-13-H2C-13-N
  451862.5520  0.0300 -3.6591 3  138.0045 61 -58516 30330 526      29 425        C-13-H3C-13-H2C-13-N
  451901.9082  0.0028 -5.1234 3   98.4675 53  58516 30326 422      25 223        C-13-H3C-13-H2C-13-N
  451997.6551  0.0083 -5.9324 3   98.3591 53  58516 30326 423      26 126        C-13-H3C-13-H2C-13-N
  452024.0209  0.0032 -5.5975 3   57.5336 41  58516 30320 417      19 218        C-13-H3C-13-H2C-13-N
  452096.3090  0.0500 -3.8446 3 1000.6832105 -58516 303522923      512922        C-13-H3C-13-H2C-13-N
  452096.3090  0.0500 -3.8446 3 1000.6832105 -58516 303522924      512923        C-13-H3C-13-H2C-13-N
  452163.5020  0.0300 -2.4597 3  410.6939105 -58516 30352 647      51 646        C-13-H3C-13-H2C-13-N
  452200.5130  0.0300 -2.4812 3  420.0471105 -58516 30352 745      51 744        C-13-H3C-13-H2C-13-N
  452222.1364  0.0035 -5.9391 3   36.1238 33  58516 30316 413      15 114        C-13-H3C-13-H2C-13-N
  452260.5061  0.0033 -4.9414 3  218.6676 43  58516 3032115 6      2214 9        C-13-H3C-13-H2C-13-N
  452260.5061  0.0033 -4.9414 3  218.6676 43  58516 3032115 7      2214 8        C-13-H3C-13-H2C-13-N
  452282.8566  0.0054 -4.6559 3  964.2647157  58516 303781168      781069        C-13-H3C-13-H2C-13-N
  452344.6170  0.0300 -3.9467 3 1043.2312105 -58516 303523022      513021        C-13-H3C-13-H2C-13-N
  452344.6170  0.0300 -3.9467 3 1043.2312105 -58516 303523023      513022        C-13-H3C-13-H2C-13-N
  452602.0510  0.0300 -4.0526 3 1087.1098105 -58516 303523121      513120        C-13-H3C-13-H2C-13-N
  452602.0510  0.0300 -4.0526 3 1087.1098105 -58516 303523122      513121        C-13-H3C-13-H2C-13-N
  452607.9280  0.0300 -3.5715 3   98.3715 49 -58516 30324 619      23 518        C-13-H3C-13-H2C-13-N
  452612.1832  0.0032 -4.7775 3  276.2350 53  58516 303261610      271513        C-13-H3C-13-H2C-13-N
  452612.1832  0.0032 -4.7775 3  276.2350 53  58516 303261611      271512        C-13-H3C-13-H2C-13-N
  452634.4790  0.0051 -4.6154 3  941.7519155  58516 303771166      771067        C-13-H3C-13-H2C-13-N
  452666.8838  0.0019 -3.5714 3   98.3696 49  58516 30324 618      23 519        C-13-H3C-13-H2C-13-N
  452759.9951  0.0497 -5.9339 3 1608.5062209  58516 303A4 897      A4 798        C-13-H3C-13-H2C-13-N
  452868.1549  0.0037 -4.1622 3 1132.3088105  58516 303523220      513219        C-13-H3C-13-H2C-13-N
  452868.1549  0.0037 -4.1622 3 1132.3088105  58516 303523221      513220        C-13-H3C-13-H2C-13-N
  452885.9649  0.0031 -4.7295 3  342.4873 63  58516 303311714      321617        C-13-H3C-13-H2C-13-N
  452885.9649  0.0031 -4.7295 3  342.4873 63  58516 303311715      321616        C-13-H3C-13-H2C-13-N
  453090.5930  0.0500 -4.7490 3  417.4200 73 -58516 303361818      371721        C-13-H3C-13-H2C-13-N
  453090.5930  0.0500 -4.7490 3  417.4200 73 -58516 303361819      371720        C-13-H3C-13-H2C-13-N
  453142.8930  0.0300 -4.2757 3 1178.8178105 -58516 303523319      513318        C-13-H3C-13-H2C-13-N
  453142.8930  0.0300 -4.2757 3 1178.8178105 -58516 303523320      513319        C-13-H3C-13-H2C-13-N
  453182.3700  0.0300 -4.6144 3  941.7320155 -58516 303771167      771068        C-13-H3C-13-H2C-13-N
  453234.7500  0.0300 -4.8162 3  501.0278 83 -58516 303411922      421825        C-13-H3C-13-H2C-13-N
  453234.7500  0.0300 -4.8162 3  501.0278 83 -58516 303411923      421824        C-13-H3C-13-H2C-13-N
  453247.2437  0.0389 -5.6123 3 1420.3649197  58516 30398 792      98 693        C-13-H3C-13-H2C-13-N
  453328.2760  0.0300 -4.9208 3  593.3040 93 -58516 303462026      471929        C-13-H3C-13-H2C-13-N
  453328.2760  0.0300 -4.9208 3  593.3040 93 -58516 303462027      471928        C-13-H3C-13-H2C-13-N
  453336.4715  0.0811 -6.1236 3 1328.5031153  58516 303762650      772553        C-13-H3C-13-H2C-13-N
  453336.4715  0.0811 -6.1236 3 1328.5031153  58516 303762651      772552        C-13-H3C-13-H2C-13-N
  453357.0041  0.0514 -5.8642 3 1184.4109143  58516 303712546      722449        C-13-H3C-13-H2C-13-N
  453357.0041  0.0514 -5.8642 3 1184.4109143  58516 303712547      722448        C-13-H3C-13-H2C-13-N
  453379.9439  0.0307 -5.6268 3 1048.9265133  58516 303662442      672345        C-13-H3C-13-H2C-13-N
  453379.9439  0.0307 -5.6268 3 1048.9265133  58516 303662443      672344        C-13-H3C-13-H2C-13-N
  453380.3336  0.0041 -5.0573 3  694.2411103  58516 303512130      522033        C-13-H3C-13-H2C-13-N
  453380.3336  0.0041 -5.0573 3  694.2411103  58516 303512131      522032        C-13-H3C-13-H2C-13-N
  453397.1972  0.0169 -5.4123 3  922.0625123  58516 303612338      622241        C-13-H3C-13-H2C-13-N
  453397.1972  0.0169 -5.4123 3  922.0625123  58516 303612339      622240        C-13-H3C-13-H2C-13-N
  453400.2719  0.0084 -5.2219 3  803.8305113  58516 303562234      572137        C-13-H3C-13-H2C-13-N
  453400.2719  0.0084 -5.2219 3  803.8305113  58516 303562235      572136        C-13-H3C-13-H2C-13-N
  453407.5178  0.0041 -5.3478 3  298.2154 89  58516 30344 638      44 441        C-13-H3C-13-H2C-13-N
  453426.0730  0.0300 -4.3931 3 1226.6263105 -58516 303523418      513417        C-13-H3C-13-H2C-13-N
  453426.0730  0.0300 -4.3931 3 1226.6263105 -58516 303523419      513418        C-13-H3C-13-H2C-13-N
  453573.7062  0.0285 -5.7687 3  967.1949165  58516 30382 379      82 380        C-13-H3C-13-H2C-13-N
  453575.4670  0.0285 -4.9785 3  967.1949165  58516 30382 379      82 280        C-13-H3C-13-H2C-13-N
  453585.8740  0.0028 -4.0103 3  480.5599115  58516 30357 453      56 552        C-13-H3C-13-H2C-13-N
  453612.1780  0.0300 -4.5744 3  919.5042153 -58516 303761165      761066        C-13-H3C-13-H2C-13-N
  453614.5860  0.0285 -4.9784 3  967.1949165  58516 30382 479      82 380        C-13-H3C-13-H2C-13-N
  453616.3468  0.0285 -5.7686 3  967.1949165  58516 30382 479      82 280        C-13-H3C-13-H2C-13-N
  453630.0700  0.0300 -3.7575 3  424.8115109 -58516 30354 351      53 450        C-13-H3C-13-H2C-13-N
  453717.3837  0.0096 -4.5146 3 1275.7236105  58516 303523517      513516        C-13-H3C-13-H2C-13-N
  453717.3837  0.0096 -4.5146 3 1275.7236105  58516 303523518      513517        C-13-H3C-13-H2C-13-N
  453783.8130  0.0296 -5.9488 3 1101.2821175  58516 30387 483      87 484        C-13-H3C-13-H2C-13-N
  453798.1915  0.0295 -5.1298 3 1101.2816175  58516 30387 483      87 384        C-13-H3C-13-H2C-13-N
  453980.3659  0.0169 -4.9972 3  872.2067153  58516 30376 769      75 868        C-13-H3C-13-H2C-13-N
  454016.7286  0.0144 -4.6404 3 1326.0989105  58516 303523616      513615        C-13-H3C-13-H2C-13-N
  454016.7286  0.0144 -4.6404 3 1326.0989105  58516 303523617      513616        C-13-H3C-13-H2C-13-N
  454025.5006  0.0295 -5.1294 3 1101.2821175  58516 30387 583      87 484        C-13-H3C-13-H2C-13-N
  454039.5016  0.0366 -5.7553 3 1257.1770183  58516 30391 982      901081        C-13-H3C-13-H2C-13-N
  454039.8790  0.0295 -5.9484 3 1101.2816175  58516 30387 583      87 384        C-13-H3C-13-H2C-13-N
  454046.6184  0.0047 -4.5736 3  919.4885153  58516 303761166      761067        C-13-H3C-13-H2C-13-N
  454234.6116  0.0057 -4.8771 3  290.9005 89  58516 30344 539      44 242        C-13-H3C-13-H2C-13-N
  454323.9219  0.0212 -4.7705 3 1377.7413105  58516 303523715      513714        C-13-H3C-13-H2C-13-N
  454323.9219  0.0212 -4.7705 3 1377.7413105  58516 303523716      513715        C-13-H3C-13-H2C-13-N
  454532.7870  0.0300 -4.5342 3  897.5463151 -58516 303751164      751065        C-13-H3C-13-H2C-13-N
  454572.5140  0.0300 -3.5299 3   76.1987 39 -58516 30319 713      18 612        C-13-H3C-13-H2C-13-N
  454572.5140  0.0300 -3.5299 3   76.1987 39 -58516 30319 712      18 613        C-13-H3C-13-H2C-13-N
  454638.8075  0.0307 -4.9052 3 1430.6397105  58516 303523814      513813        C-13-H3C-13-H2C-13-N
  454638.8075  0.0307 -4.9052 3 1430.6397105  58516 303523815      513814        C-13-H3C-13-H2C-13-N
  454691.5910  0.0300 -2.4419 3  409.6446107 -58516 30353 450      52 449        C-13-H3C-13-H2C-13-N
  454875.6620  0.0300 -4.5336 3  897.5340151 -58516 303751165      751066        C-13-H3C-13-H2C-13-N
  454961.2374  0.0434 -5.0447 3 1484.7828105  58516 303523913      513912        C-13-H3C-13-H2C-13-N
  454961.2374  0.0434 -5.0447 3 1484.7828105  58516 303523914      513913        C-13-H3C-13-H2C-13-N
  455100.7600  0.0300 -2.4550 3  411.1531105 -58516 30352 646      51 645        C-13-H3C-13-H2C-13-N
  455102.9430  0.0045 -5.3916 3  404.8158103  58516 30351 745      51 546        C-13-H3C-13-H2C-13-N
  455291.0712  0.0601 -5.1895 3 1540.1594105  58516 303524012      514011        C-13-H3C-13-H2C-13-N
  455291.0712  0.0601 -5.1895 3 1540.1594105  58516 303524013      514012        C-13-H3C-13-H2C-13-N
  455400.1176  0.0041 -4.4948 3  875.8783149  58516 303741163      741064        C-13-H3C-13-H2C-13-N
  455628.1756  0.0817 -5.3398 3 1596.7579105  58516 303524111      514110        C-13-H3C-13-H2C-13-N
  455628.1756  0.0817 -5.3398 3 1596.7579105  58516 303524112      514111        C-13-H3C-13-H2C-13-N
  455669.6290  0.0300 -4.4943 3  875.8686149 -58516 303741164      741065        C-13-H3C-13-H2C-13-N
  455752.5996  0.0466 -6.0730 3 1726.7509213  58516 303A61294      A61195        C-13-H3C-13-H2C-13-N
  455769.3060  0.0300 -3.7169 3  379.5486103 -58516 30351 448      50 347        C-13-H3C-13-H2C-13-N
  455832.4500  0.0300 -3.5066 3   62.7789 29 -58516 30314 8 6      13 7 7        C-13-H3C-13-H2C-13-N
  455832.4500  0.0300 -3.5066 3   62.7789 29 -58516 30314 8 7      13 7 6        C-13-H3C-13-H2C-13-N
  455855.2500  0.0300 -3.6068 3  415.9554109 -58516 30354 252      53 351        C-13-H3C-13-H2C-13-N
  455972.4232  0.1091 -5.4963 3 1654.5668105  58516 303524210      5142 9        C-13-H3C-13-H2C-13-N
  455972.4232  0.1091 -5.4963 3 1654.5668105  58516 303524211      514210        C-13-H3C-13-H2C-13-N
  456218.0120  0.0300 -4.4562 3  854.4998147 -58516 303731162      731063        C-13-H3C-13-H2C-13-N
  456323.6931  0.1437 -5.6597 3 1713.5744105  58516 3035243 9      5143 8        C-13-H3C-13-H2C-13-N
  456323.6931  0.1437 -5.6597 3 1713.5744105  58516 303524310      5143 9        C-13-H3C-13-H2C-13-N
  456428.8869  0.0039 -4.4558 3  854.4923147  58516 303731163      731064        C-13-H3C-13-H2C-13-N
  456606.1510  0.0300 -2.4373 3  409.2166107 -58516 30353 350      52 349        C-13-H3C-13-H2C-13-N
  456617.7559  0.0088 -4.6492 3  715.6719139  58516 30369 663      68 762        C-13-H3C-13-H2C-13-N
  456628.8330  0.0300 -2.4425 3  415.9554109 -58516 30354 352      53 351        C-13-H3C-13-H2C-13-N
  456681.8698  0.1867 -5.8310 3 1773.7688105  58516 3035244 8      5144 7        C-13-H3C-13-H2C-13-N
  456681.8698  0.1867 -5.8310 3 1773.7688105  58516 3035244 9      5144 8        C-13-H3C-13-H2C-13-N
  456702.0472  0.0422 -5.6636 3 1448.3087199  58516 30399 693      99 594        C-13-H3C-13-H2C-13-N
  456725.2505  0.0062 -5.6727 3   71.2284 47  58516 30323 321      22 122        C-13-H3C-13-H2C-13-N
  456803.5930  0.0300 -2.4421 3  415.9238109 -58516 30354 252      53 251        C-13-H3C-13-H2C-13-N
  456868.2330  0.0300 -3.4773 3   58.0660 19 -58516 303 9 9 0       8 8 1        C-13-H3C-13-H2C-13-N
  456868.2330  0.0300 -3.4773 3   58.0660 19 -58516 303 9 9 1       8 8 0        C-13-H3C-13-H2C-13-N
  456886.2067  0.0043 -5.3557 3  311.1748 91  58516 30345 639      45 442        C-13-H3C-13-H2C-13-N
  456989.6521  0.0036 -4.4183 3  833.4110145  58516 303721161      721062        C-13-H3C-13-H2C-13-N
  457046.8436  0.2399 -6.0117 3 1835.1383105  58516 3035245 7      5145 6        C-13-H3C-13-H2C-13-N
  457046.8436  0.2399 -6.0117 3 1835.1383105  58516 3035245 8      5145 7        C-13-H3C-13-H2C-13-N
  457072.5870  0.0390 -5.6948 3  862.4632157  58516 30378 276      78 277        C-13-H3C-13-H2C-13-N
  457072.7056  0.0390 -4.9317 3  862.4632157  58516 30378 276      78 177        C-13-H3C-13-H2C-13-N
  457076.8950  0.0390 -4.9317 3  862.4632157  58516 30378 376      78 277        C-13-H3C-13-H2C-13-N
  457077.0136  0.0390 -5.6948 3  862.4632157  58516 30378 376      78 177        C-13-H3C-13-H2C-13-N
  457153.9114  0.0036 -4.4180 3  833.4051145  58516 303721162      721063        C-13-H3C-13-H2C-13-N
  457205.5771  0.0132 -5.7749 3  165.6968 69  58516 30334 331      34 034        C-13-H3C-13-H2C-13-N
  457328.2240  0.0300 -2.4250 3  400.1057105 -58516 30352 448      51 447        C-13-H3C-13-H2C-13-N
  457345.4688  0.0321 -5.3728 3 1269.2829187  58516 30393 588      93 489        C-13-H3C-13-H2C-13-N
  457490.6314  0.0596 -6.0485 3 1668.2592213  58516 303A6 799      A6 6A0        C-13-H3C-13-H2C-13-N
  457577.1850  0.0300 -3.6034 3  415.9238109 -58516 30354 352      53 251        C-13-H3C-13-H2C-13-N
  457718.0100  0.0300 -4.3812 3  812.6115143 -58516 303711160      711061        C-13-H3C-13-H2C-13-N
  457845.3392  0.0034 -4.3809 3  812.6070143  58516 303711161      711062        C-13-H3C-13-H2C-13-N
  458004.3950  0.0026 -5.0647 3  106.1191 55  58516 30327 423      26 224        C-13-H3C-13-H2C-13-N
  458191.1350  0.0300 -3.5159 3  421.1218111 -58516 30355 154      54 253        C-13-H3C-13-H2C-13-N
  458206.9369  0.0060 -5.0057 3   71.1790 47  58516 30323 321      22 022        C-13-H3C-13-H2C-13-N
  458218.4180  0.0300 -2.4414 3  421.1218111 -58516 30355 254      54 253        C-13-H3C-13-H2C-13-N
  458225.5260  0.0300 -2.4414 3  421.1207111 -58516 30355 154      54 153        C-13-H3C-13-H2C-13-N
  458251.3728  0.0735 -5.7622 3  762.8425149  58516 30374 173      74 174        C-13-H3C-13-H2C-13-N
  458251.3769  0.0735 -5.0243 3  762.8425149  58516 30374 173      74 074        C-13-H3C-13-H2C-13-N
  458251.6806  0.0735 -5.0243 3  762.8425149  58516 30374 273      74 174        C-13-H3C-13-H2C-13-N
  458251.6847  0.0735 -5.7622 3  762.8425149  58516 30374 273      74 074        C-13-H3C-13-H2C-13-N
  458252.8040  0.0300 -3.5158 3  421.1207111 -58516 30355 254      54 153        C-13-H3C-13-H2C-13-N
  458252.9246  0.0318 -5.3711 3 1269.2854187  58516 30393 688      93 589        C-13-H3C-13-H2C-13-N
  458405.6300  0.0032 -4.3448 3  792.1015141  58516 303701159      701060        C-13-H3C-13-H2C-13-N
  458449.1230  0.0300 -2.7418 3  543.5017107 -58516 303531439      521438        C-13-H3C-13-H2C-13-N
  458449.1230  0.0300 -2.7418 3  543.5017107 -58516 303531440      521439        C-13-H3C-13-H2C-13-N
  458467.8639  0.0012 -2.6956 3  523.4812107  58516 303531340      521339        C-13-H3C-13-H2C-13-N
  458467.8639  0.0012 -2.6956 3  523.4812107  58516 303531341      521340        C-13-H3C-13-H2C-13-N
  458468.3696  0.0012 -2.7914 3  564.9943107  58516 303531538      521537        C-13-H3C-13-H2C-13-N
  458468.3696  0.0012 -2.7914 3  564.9943107  58516 303531539      521538        C-13-H3C-13-H2C-13-N
  458503.8962  0.0032 -4.3446 3  792.0980141  58516 303701160      701061        C-13-H3C-13-H2C-13-N
  458518.4010  0.0300 -2.8443 3  587.9501107 -58516 303531637      521636        C-13-H3C-13-H2C-13-N
  458518.4010  0.0300 -2.8443 3  587.9501107 -58516 303531638      521637        C-13-H3C-13-H2C-13-N
  458535.1250  0.0300 -2.6528 3  504.9427107 -58516 303531242      521241        C-13-H3C-13-H2C-13-N
  458535.1250  0.0300 -2.6528 3  504.9427107 -58516 303531241      521240        C-13-H3C-13-H2C-13-N
  458594.1070  0.0300 -2.9007 3  612.3607107 -58516 303531736      521735        C-13-H3C-13-H2C-13-N
  458594.1070  0.0300 -2.9007 3  612.3607107 -58516 303531737      521736        C-13-H3C-13-H2C-13-N
  458616.7600  0.0300 -3.6592 3  146.7595 63 -58516 30331 527      30 426        C-13-H3C-13-H2C-13-N
  458664.3095  0.0096 -5.7073 3  730.9031139  58516 30369 862      69 663        C-13-H3C-13-H2C-13-N
  458666.8240  0.0300 -2.6133 3  487.8977107 -58516 303531143      521142        C-13-H3C-13-H2C-13-N
  458666.8240  0.0300 -2.6133 3  487.8977107 -58516 303531142      521141        C-13-H3C-13-H2C-13-N
  458691.7840  0.0300 -2.9604 3  638.2181107 -58516 303531835      521834        C-13-H3C-13-H2C-13-N
  458691.7840  0.0300 -2.9604 3  638.2181107 -58516 303531836      521835        C-13-H3C-13-H2C-13-N
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  458808.6620  0.0300 -3.0236 3  665.5142107 -58516 303531935      521934        C-13-H3C-13-H2C-13-N
  458888.3270  0.0500 -2.5771 3  472.3614107 -58516 303531044      521043        C-13-H3C-13-H2C-13-N
  458888.3270  0.0500 -2.5771 3  472.3614107 -58516 303531043      521042        C-13-H3C-13-H2C-13-N
  458912.4424  0.0037 -3.8648 3  149.8696 65  58516 30332 428      31 329        C-13-H3C-13-H2C-13-N
  458942.6660  0.0300 -3.0901 3  694.2411107 -58516 303532033      522032        C-13-H3C-13-H2C-13-N
  458942.6660  0.0300 -3.0901 3  694.2411107 -58516 303532034      522033        C-13-H3C-13-H2C-13-N
  459054.9252  0.0030 -4.3092 3  771.8808139  58516 303691158      691059        C-13-H3C-13-H2C-13-N
  459083.6417  0.0034 -5.7883 3   40.8101 35  58516 30317 414      16 115        C-13-H3C-13-H2C-13-N
  459092.1710  0.0300 -3.1601 3  724.3906107 -58516 303532132      522131        C-13-H3C-13-H2C-13-N
  459092.1710  0.0300 -3.1601 3  724.3906107 -58516 303532133      522132        C-13-H3C-13-H2C-13-N
  459130.3859  0.0030 -4.3091 3  771.8781139  58516 303691159      691060        C-13-H3C-13-H2C-13-N
  459176.6730  0.0300 -2.4511 3  417.6149107 -58516 30353 549      52 548        C-13-H3C-13-H2C-13-N
  459241.1270  0.0300 -2.5443 3  458.3550107 -58516 30353 945      52 944        C-13-H3C-13-H2C-13-N
  459244.4180  0.0300 -2.5442 3  458.3552107 -58516 30353 944      52 943        C-13-H3C-13-H2C-13-N
  459254.4798  0.0536 -5.9836 3 1638.2688211  58516 303A5 898      A5 799        C-13-H3C-13-H2C-13-N
  459255.9030  0.0300 -3.2335 3  755.9543107 -58516 303532231      522230        C-13-H3C-13-H2C-13-N
  459255.9030  0.0300 -3.2335 3  755.9543107 -58516 303532232      522231        C-13-H3C-13-H2C-13-N
  459340.2917  0.0403 -6.0085 3 1696.1231211  58516 303A51293      A51194        C-13-H3C-13-H2C-13-N
  459345.8260  0.0300 -2.4318 3  404.8158105 -58516 30352 547      51 546        C-13-H3C-13-H2C-13-N
  459432.8390  0.0300 -3.3103 3  788.9239107 -58516 303532330      522329        C-13-H3C-13-H2C-13-N
  459432.8390  0.0300 -3.3103 3  788.9239107 -58516 303532331      522330        C-13-H3C-13-H2C-13-N
  459622.1583  0.0016 -3.3906 3  823.2905107  58516 303532429      522428        C-13-H3C-13-H2C-13-N
  459622.1583  0.0016 -3.3906 3  823.2905107  58516 303532430      522429        C-13-H3C-13-H2C-13-N
  459631.3930  0.0300 -3.6508 3  137.7700 61 -58516 30330 525      29 426        C-13-H3C-13-H2C-13-N
  459668.0075  0.0028 -4.2744 3  751.9494137  58516 303681157      681058        C-13-H3C-13-H2C-13-N
  459725.6708  0.0029 -4.2743 3  751.9473137  58516 303681158      681059        C-13-H3C-13-H2C-13-N
  459786.5280  0.0300 -2.5146 3  445.9103107 -58516 30353 846      52 845        C-13-H3C-13-H2C-13-N
  459823.1820  0.0300 -3.4743 3  859.0455107 -58516 303532528      522527        C-13-H3C-13-H2C-13-N
  459823.1820  0.0300 -3.4743 3  859.0455107 -58516 303532529      522528        C-13-H3C-13-H2C-13-N
  459836.5030  0.0500 -2.5145 3  445.9153107 -58516 30353 845      52 844        C-13-H3C-13-H2C-13-N
  459848.3413  0.0410 -5.6580 3 1448.3198199  58516 30399 793      99 694        C-13-H3C-13-H2C-13-N
  459855.6043  0.0028 -3.4463 3  425.1992113  58516 30356 056      55 155        C-13-H3C-13-H2C-13-N
  459856.0550  0.0300 -2.4380 3  425.1992113 -58516 30356 156      55 155        C-13-H3C-13-H2C-13-N
  459856.0550  0.0300 -2.4380 3  425.1991113 -58516 30356 056      55 055        C-13-H3C-13-H2C-13-N
  459856.5065  0.0028 -3.4463 3  425.1991113  58516 30356 156      55 055        C-13-H3C-13-H2C-13-N
  460014.3224  0.0301 -5.8039 3  990.2365167  58516 30383 380      83 381        C-13-H3C-13-H2C-13-N
  460015.7295  0.0301 -5.0143 3  990.2365167  58516 30383 380      83 281        C-13-H3C-13-H2C-13-N
  460035.3180  0.0300 -3.5616 3  896.1796107 -58516 303532627      522626        C-13-H3C-13-H2C-13-N
  460035.3180  0.0300 -3.5616 3  896.1796107 -58516 303532628      522627        C-13-H3C-13-H2C-13-N
  460047.5212  0.0301 -5.0142 3  990.2365167  58516 30383 480      83 381        C-13-H3C-13-H2C-13-N
  460048.9283  0.0301 -5.8038 3  990.2365167  58516 30383 480      83 281        C-13-H3C-13-H2C-13-N
  460246.8137  0.0027 -4.2403 3  732.3072135  58516 303671156      671057        C-13-H3C-13-H2C-13-N
  460257.9610  0.1000 -3.6523 3  934.6837107 -58516 303532726      522725        C-13-H3C-13-H2C-13-N
  460257.9610  0.1000 -3.6523 3  934.6837107 -58516 303532727      522726        C-13-H3C-13-H2C-13-N
  460290.6560  0.0027 -4.2402 3  732.3056135  58516 303671157      671058        C-13-H3C-13-H2C-13-N
  460320.6646  0.0309 -5.9867 3 1125.8754177  58516 30388 484      88 485        C-13-H3C-13-H2C-13-N
  460332.3182  0.0309 -5.1687 3 1125.8751177  58516 30388 484      88 385        C-13-H3C-13-H2C-13-N
  460447.3262  0.0034 -5.6456 3  164.8769 31  58516 3031514 1      1613 4        C-13-H3C-13-H2C-13-N
  460447.3262  0.0034 -5.6456 3  164.8769 31  58516 3031514 2      1613 3        C-13-H3C-13-H2C-13-N
  460491.1450  0.0300 -3.7465 3  974.5482107 -58516 303532825      522824        C-13-H3C-13-H2C-13-N
  460491.1450  0.0300 -3.7465 3  974.5482107 -58516 303532826      522825        C-13-H3C-13-H2C-13-N
  460510.8960  0.0500 -2.4883 3  435.0659107 -58516 30353 747      52 746        C-13-H3C-13-H2C-13-N
  460519.8984  0.0308 -5.1683 3 1125.8754177  58516 30388 584      88 485        C-13-H3C-13-H2C-13-N
  460531.5520  0.0308 -5.9863 3 1125.8751177  58516 30388 584      88 385        C-13-H3C-13-H2C-13-N
  460734.0040  0.0300 -3.8443 3 1015.7636107 -58516 303532924      522923        C-13-H3C-13-H2C-13-N
  460734.0040  0.0300 -3.8443 3 1015.7636107 -58516 303532925      522924        C-13-H3C-13-H2C-13-N
  460793.1129  0.0026 -4.2070 3  712.9541133  58516 303661155      661056        C-13-H3C-13-H2C-13-N
  460826.2759  0.0026 -4.2069 3  712.9530133  58516 303661156      661057        C-13-H3C-13-H2C-13-N
  460826.5860  0.0300 -2.4664 3  425.7764107 -58516 30353 648      52 647        C-13-H3C-13-H2C-13-N
  460870.8828  0.0033 -5.0167 3  212.3109 41  58516 3032015 5      2114 8        C-13-H3C-13-H2C-13-N
  460870.8828  0.0033 -5.0167 3  212.3109 41  58516 3032015 6      2114 7        C-13-H3C-13-H2C-13-N
  460942.4161  0.0045 -5.3661 3  324.4125 93  58516 30346 640      46 443        C-13-H3C-13-H2C-13-N
  460986.4540  0.0300 -3.9457 3 1058.3198107 -58516 303533023      523022        C-13-H3C-13-H2C-13-N
  460986.4540  0.0300 -3.9457 3 1058.3198107 -58516 303533024      523023        C-13-H3C-13-H2C-13-N
  460992.9155  0.0061 -5.5830 3  303.8677 91  58516 30345 540      45 343        C-13-H3C-13-H2C-13-N
  461045.2940  0.0300 -2.4875 3  435.1309107 -58516 30353 746      52 745        C-13-H3C-13-H2C-13-N
  461081.0780  0.0300 -3.5615 3  105.3148 51 -58516 30325 620      24 519        C-13-H3C-13-H2C-13-N
  461098.9477  0.0073 -4.2705 3  127.1950 61  58516 30330 327      29 228        C-13-H3C-13-H2C-13-N
  461170.7550  0.0300 -3.5614 3  105.3120 51 -58516 30325 619      24 520        C-13-H3C-13-H2C-13-N
  461206.3257  0.0032 -4.8079 3  268.4329 51  58516 3032516 9      261512        C-13-H3C-13-H2C-13-N
  461206.3257  0.0032 -4.8079 3  268.4329 51  58516 303251610      261511        C-13-H3C-13-H2C-13-N
  461248.1890  0.0300 -4.0507 3 1102.2070107 -58516 303533122      523121        C-13-H3C-13-H2C-13-N
  461248.1890  0.0300 -4.0507 3 1102.2070107 -58516 303533123      523122        C-13-H3C-13-H2C-13-N
  461308.5370  0.0300 -4.1744 3  693.8902131 -58516 303651154      651055        C-13-H3C-13-H2C-13-N
  461333.4380  0.0300 -4.1744 3  693.8894131 -58516 303651155      651056        C-13-H3C-13-H2C-13-N
  461461.1630  0.0300 -4.7383 3  333.2400 61 -58516 303301713      311616        C-13-H3C-13-H2C-13-N
  461461.1630  0.0300 -4.7383 3  333.2400 61 -58516 303301714      311615        C-13-H3C-13-H2C-13-N
  461505.2140  0.0300 -3.7161 3  394.2504105 -58516 30352 449      51 348        C-13-H3C-13-H2C-13-N
  461518.8780  0.0300 -4.1595 3 1147.4148107 -58516 303533221      523220        C-13-H3C-13-H2C-13-N
  461518.8780  0.0300 -4.1595 3 1147.4148107 -58516 303533222      523221        C-13-H3C-13-H2C-13-N
  461602.5174  0.0811 -6.0731 3 1306.2958151  58516 303752649      762552        C-13-H3C-13-H2C-13-N
  461602.5174  0.0811 -6.0731 3 1306.2958151  58516 303752650      762551        C-13-H3C-13-H2C-13-N
  461643.7157  0.0032 -4.7445 3  406.7280 71  58516 303351817      361720        C-13-H3C-13-H2C-13-N
  461643.7157  0.0032 -4.7445 3  406.7280 71  58516 303351818      361719        C-13-H3C-13-H2C-13-N
  461669.6049  0.0513 -5.8177 3 1163.6368141  58516 303702545      712448        C-13-H3C-13-H2C-13-N
  461669.6049  0.0513 -5.8177 3 1163.6368141  58516 303702546      712447        C-13-H3C-13-H2C-13-N
  461736.1901  0.0306 -5.5844 3 1029.5878131  58516 303652441      662344        C-13-H3C-13-H2C-13-N
  461736.1901  0.0306 -5.5844 3 1029.5878131  58516 303652442      662343        C-13-H3C-13-H2C-13-N
  461763.0640  0.0300 -4.8022 3  488.8917 81 -58516 303401921      411824        C-13-H3C-13-H2C-13-N
  461763.0640  0.0300 -4.8022 3  488.8917 81 -58516 303401922      411823        C-13-H3C-13-H2C-13-N
  461794.0883  0.0169 -5.3744 3  904.1612121  58516 303602337      612240        C-13-H3C-13-H2C-13-N
  461794.0883  0.0169 -5.3744 3  904.1612121  58516 303602338      612239        C-13-H3C-13-H2C-13-N
  461794.5618  0.0023 -4.1426 3  675.1155129  58516 303641153      641054        C-13-H3C-13-H2C-13-N
  461798.3810  0.0300 -4.2719 3 1193.9330107 -58516 303533320      523319        C-13-H3C-13-H2C-13-N
  461798.3810  0.0300 -4.2719 3 1193.9330107 -58516 303533321      523320        C-13-H3C-13-H2C-13-N
  461813.2368  0.0023 -4.1426 3  675.1148129  58516 303641154      641055        C-13-H3C-13-H2C-13-N
  461828.4464  0.0031 -4.8994 3  579.7247 91  58516 303452025      461928        C-13-H3C-13-H2C-13-N
  461828.4464  0.0031 -4.8994 3  579.7247 91  58516 303452026      461927        C-13-H3C-13-H2C-13-N
  461834.7326  0.0084 -5.1888 3  787.3684111  58516 303552233      562136        C-13-H3C-13-H2C-13-N
  461834.7326  0.0084 -5.1888 3  787.3684111  58516 303552234      562135        C-13-H3C-13-H2C-13-N
  461849.2331  0.0041 -5.0296 3  679.2197101  58516 303502129      512032        C-13-H3C-13-H2C-13-N
  461849.2331  0.0041 -5.0296 3  679.2197101  58516 303502130      512031        C-13-H3C-13-H2C-13-N
  462086.4270  0.0500 -4.3883 3 1241.7509107 -58516 303533419      523418        C-13-H3C-13-H2C-13-N
  462086.4270  0.0500 -4.3883 3 1241.7509107 -58516 303533420      523419        C-13-H3C-13-H2C-13-N
  462252.6600  0.0300 -4.1116 3  656.6298127 -58516 303631152      631053        C-13-H3C-13-H2C-13-N
  462266.4740  0.0300 -4.1116 3  656.6293127 -58516 303631153      631054        C-13-H3C-13-H2C-13-N
  462382.8971  0.0094 -4.5085 3 1290.8580107  58516 303533518      523517        C-13-H3C-13-H2C-13-N
  462382.8971  0.0094 -4.5085 3 1290.8580107  58516 303533519      523518        C-13-H3C-13-H2C-13-N
  462406.5556  0.0044 -5.3829 3  389.7943101  58516 30350 744      50 545        C-13-H3C-13-H2C-13-N
  462647.2855  0.0082 -5.9221 3  235.5870 81  58516 30340 436      40 239        C-13-H3C-13-H2C-13-N
  462672.2598  0.0352 -5.9451 3 1665.7912209  58516 303A41292      A41193        C-13-H3C-13-H2C-13-N
  462683.9650  0.0300 -4.0813 3  638.4331125 -58516 303621151      621052        C-13-H3C-13-H2C-13-N
  462687.5155  0.0142 -4.6328 3 1341.2433107  58516 303533617      523616        C-13-H3C-13-H2C-13-N
  462687.5155  0.0142 -4.6328 3 1341.2433107  58516 303533618      523617        C-13-H3C-13-H2C-13-N
  462690.5157  0.0087 -5.9163 3  105.8236 55  58516 30327 424      27 127        C-13-H3C-13-H2C-13-N
  462694.1950  0.0300 -4.0813 3  638.4328125 -58516 303621152      621053        C-13-H3C-13-H2C-13-N
  462882.2650  0.0300 -2.4501 3  424.8115109 -58516 30354 451      53 450        C-13-H3C-13-H2C-13-N
  462936.9121  0.0033 -5.5430 3   63.2469 43  58516 30321 418      20 219        C-13-H3C-13-H2C-13-N
  463000.1472  0.0212 -4.7613 3 1392.8960107  58516 303533716      523715        C-13-H3C-13-H2C-13-N
  463000.1472  0.0212 -4.7613 3 1392.8960107  58516 303533717      523716        C-13-H3C-13-H2C-13-N
  463089.7760  0.0300 -4.0518 3  620.5255123 -58516 303611150      611051        C-13-H3C-13-H2C-13-N
  463097.3710  0.0300 -4.0518 3  620.5253123 -58516 303611151      611052        C-13-H3C-13-H2C-13-N
  463196.8380  0.0300 -3.5156 3   81.6864 41 -58516 30320 714      19 613        C-13-H3C-13-H2C-13-N
  463196.8380  0.0300 -3.5156 3   81.6864 41 -58516 30320 713      19 614        C-13-H3C-13-H2C-13-N
  463243.2375  0.0014 -3.7533 3  440.2515111  58516 30355 352      54 451        C-13-H3C-13-H2C-13-N
  463320.6302  0.0308 -4.8941 3 1445.8048107  58516 303533815      523814        C-13-H3C-13-H2C-13-N
  463320.6302  0.0308 -4.8941 3 1445.8048107  58516 303533816      523815        C-13-H3C-13-H2C-13-N
  463435.8819  0.0082 -5.2216 3  235.5607 81  58516 30340 436      40 139        C-13-H3C-13-H2C-13-N
  463469.5515  0.0410 -5.7278 3  884.2188159  58516 30379 277      79 278        C-13-H3C-13-H2C-13-N
  463469.6449  0.0410 -4.9650 3  884.2188159  58516 30379 277      79 178        C-13-H3C-13-H2C-13-N
  463471.3140  0.0300 -4.0230 3  602.9069121 -58516 303601149      601050        C-13-H3C-13-H2C-13-N
  463472.9973  0.0410 -4.9650 3  884.2188159  58516 30379 377      79 278        C-13-H3C-13-H2C-13-N
  463473.0907  0.0410 -5.7278 3  884.2188159  58516 30379 377      79 178        C-13-H3C-13-H2C-13-N
  463476.8160  0.0300 -4.0230 3  602.9067121 -58516 303601150      601051        C-13-H3C-13-H2C-13-N
  463500.2311  0.0285 -5.3697 3 1068.0567169  58516 30384 876      83 975        C-13-H3C-13-H2C-13-N
  463648.8114  0.0437 -5.0315 3 1499.9587107  58516 303533914      523913        C-13-H3C-13-H2C-13-N
  463648.8114  0.0437 -5.0315 3 1499.9587107  58516 303533915      523914        C-13-H3C-13-H2C-13-N
  463772.9078  0.0442 -5.7092 3 1476.5305201  58516 303A0 694      A0 595        C-13-H3C-13-H2C-13-N
  463829.5610  0.0300 -3.9951 3  585.5774119 -58516 303591148      591049        C-13-H3C-13-H2C-13-N
  463833.5610  0.0300 -3.9951 3  585.5772119 -58516 303591149      591050        C-13-H3C-13-H2C-13-N
  463984.5455  0.0607 -5.1738 3 1555.3463107  58516 303534013      524012        C-13-H3C-13-H2C-13-N
  463984.5455  0.0607 -5.1738 3 1555.3463107  58516 303534014      524013        C-13-H3C-13-H2C-13-N
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  464492.6490  0.0300 -3.4904 3   66.8203 31 -58516 30315 8 8      14 7 7        C-13-H3C-13-H2C-13-N
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  464643.5408  0.0771 -5.0549 3  783.3098151  58516 30375 174      75 075        C-13-H3C-13-H2C-13-N
  464643.7801  0.0771 -5.0549 3  783.3098151  58516 30375 274      75 175        C-13-H3C-13-H2C-13-N
  464643.7833  0.0771 -5.7929 3  783.3098151  58516 30375 274      75 075        C-13-H3C-13-H2C-13-N
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  464678.1272  0.1104 -5.4742 3 1669.7764107  58516 303534212      524211        C-13-H3C-13-H2C-13-N
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  464776.1720  0.0500 -3.9158 3  535.3225113 -58516 303561146      561047        C-13-H3C-13-H2C-13-N
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  464886.7300  0.0300 -2.4509 3  431.1611111 -58516 30355 253      54 252        C-13-H3C-13-H2C-13-N
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  465035.7182  0.1455 -5.6333 3 1728.7957107  58516 303534311      524310        C-13-H3C-13-H2C-13-N
  465048.4800  0.0300 -3.6610 3  155.8168 65 -58516 30332 528      31 427        C-13-H3C-13-H2C-13-N
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  465050.7950  0.0500 -3.8910 3  519.1488111 -58516 303551145      551046        C-13-H3C-13-H2C-13-N
  465163.2362  0.0641 -6.0974 3 1698.5552215  58516 303A7 7A0      A7 6A1        C-13-H3C-13-H2C-13-N
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  465306.7261  0.0018 -3.8669 3  503.2641109  58516 303541144      541045        C-13-H3C-13-H2C-13-N
  465400.3484  0.1892 -5.7993 3 1789.0021107  58516 3035344 9      5244 8        C-13-H3C-13-H2C-13-N
  465400.3484  0.1892 -5.7993 3 1789.0021107  58516 303534410      5244 9        C-13-H3C-13-H2C-13-N
  465491.9037  0.0059 -4.9025 3  303.7176 91  58516 30345 540      45 243        C-13-H3C-13-H2C-13-N
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  465516.7739  0.0013 -3.6079 3  431.1611111  58516 30355 353      54 252        C-13-H3C-13-H2C-13-N
  465534.5070  0.0300 -3.4647 3   60.6638 21 -58516 30310 9 1       9 8 2        C-13-H3C-13-H2C-13-N
  465534.5070  0.0300 -3.4647 3   60.6638 21 -58516 30310 9 2       9 8 1        C-13-H3C-13-H2C-13-N
  465544.5589  0.0018 -3.8437 3  487.6683107  58516 303531142      531043        C-13-H3C-13-H2C-13-N
  465545.0746  0.0018 -3.8437 3  487.6683107  58516 303531143      531044        C-13-H3C-13-H2C-13-N
  465627.3745  0.0047 -5.3792 3  337.9279 95  58516 30347 641      47 444        C-13-H3C-13-H2C-13-N
  465765.1873  0.0309 -5.8828 3 1635.7547207  58516 303A31291      A31192        C-13-H3C-13-H2C-13-N
  465766.1458  0.0018 -3.8212 3  472.3614105  58516 303521141      521042        C-13-H3C-13-H2C-13-N
  465766.5028  0.0018 -3.8212 3  472.3614105  58516 303521142      521043        C-13-H3C-13-H2C-13-N
  465771.9046  0.2432 -5.9731 3 1850.3837107  58516 3035345 8      5245 7        C-13-H3C-13-H2C-13-N
  465771.9046  0.2432 -5.9731 3 1850.3837107  58516 3035345 9      5245 8        C-13-H3C-13-H2C-13-N
  465778.1837  0.0578 -6.0339 3 1668.2953213  58516 303A6 899      A6 7A0        C-13-H3C-13-H2C-13-N
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  465971.7561  0.0017 -3.7996 3  457.3435103  58516 303511141      511042        C-13-H3C-13-H2C-13-N
  466133.1576  0.0033 -5.6470 3   45.7805 37  58516 30318 415      17 116        C-13-H3C-13-H2C-13-N
  466161.4780  0.0300 -3.7788 3  442.6145101 -58516 303501139      501040        C-13-H3C-13-H2C-13-N
  466161.4780  0.0300 -3.7788 3  442.6145101 -58516 303501140      501041        C-13-H3C-13-H2C-13-N
  466307.3550  0.0300 -3.5230 3  436.4063113 -58516 30356 155      55 254        C-13-H3C-13-H2C-13-N
  466328.9750  0.0300 -2.4504 3  436.4063113 -58516 30356 255      55 254        C-13-H3C-13-H2C-13-N
  466334.6290  0.0300 -2.4504 3  436.4054113 -58516 30356 155      55 154        C-13-H3C-13-H2C-13-N
  466336.5890  0.0500 -3.7588 3  428.1743 99 -58516 303491138      491039        C-13-H3C-13-H2C-13-N
  466336.5890  0.0500 -3.7588 3  428.1743 99 -58516 303491139      491040        C-13-H3C-13-H2C-13-N
  466356.2690  0.0300 -3.5229 3  436.4054113 -58516 30356 255      55 154        C-13-H3C-13-H2C-13-N
  466444.6683  0.0318 -5.8399 3 1013.5461169  58516 30384 381      84 382        C-13-H3C-13-H2C-13-N
  466445.7927  0.0318 -5.0508 3 1013.5460169  58516 30384 381      84 282        C-13-H3C-13-H2C-13-N
  466449.6587  0.0432 -5.7045 3 1476.5398201  58516 303A0 794      A0 695        C-13-H3C-13-H2C-13-N
  466471.6169  0.0318 -5.0507 3 1013.5461169  58516 30384 481      84 382        C-13-H3C-13-H2C-13-N
  466472.7413  0.0318 -5.8398 3 1013.5460169  58516 30384 481      84 282        C-13-H3C-13-H2C-13-N
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  466497.5680  0.0300 -3.7396 3  414.0231 97 -58516 303481138      481039        C-13-H3C-13-H2C-13-N
  466514.8059  0.0026 -3.9951 3  496.9929117  58516 30358 454      57 553        C-13-H3C-13-H2C-13-N
  466645.1880  0.0300 -3.7213 3  400.1608 95 -58516 303471136      471037        C-13-H3C-13-H2C-13-N
  466645.1880  0.0300 -3.7213 3  400.1608 95 -58516 303471137      471038        C-13-H3C-13-H2C-13-N
  466780.0430  0.0300 -3.7039 3  386.5874 93 -58516 303461135      461036        C-13-H3C-13-H2C-13-N
  466780.0430  0.0300 -3.7039 3  386.5874 93 -58516 303461136      461037        C-13-H3C-13-H2C-13-N
  466838.7460  0.0322 -6.0253 3 1150.7359179  58516 30389 485      89 486        C-13-H3C-13-H2C-13-N
  466848.1882  0.0322 -5.2083 3 1150.7356179  58516 30389 485      89 386        C-13-H3C-13-H2C-13-N
  466902.7880  0.0300 -3.6874 3  373.3029 91 -58516 303451134      451035        C-13-H3C-13-H2C-13-N
  466902.7880  0.0300 -3.6874 3  373.3029 91 -58516 303451135      451036        C-13-H3C-13-H2C-13-N
  467002.8743  0.0322 -5.2080 3 1150.7359179  58516 30389 585      89 486        C-13-H3C-13-H2C-13-N
  467012.3165  0.0322 -6.0250 3 1150.7356179  58516 30389 585      89 386        C-13-H3C-13-H2C-13-N
  467014.0200  0.0300 -3.6717 3  360.3072 89 -58516 303441133      441034        C-13-H3C-13-H2C-13-N
  467014.0200  0.0300 -3.6717 3  360.3072 89 -58516 303441134      441035        C-13-H3C-13-H2C-13-N
  467067.9020  0.0300 -2.7484 3  558.7940109 -58516 303541440      531439        C-13-H3C-13-H2C-13-N
  467067.9020  0.0300 -2.7484 3  558.7940109 -58516 303541441      531440        C-13-H3C-13-H2C-13-N
  467083.0570  0.0300 -2.7978 3  580.2872109 -58516 303541539      531538        C-13-H3C-13-H2C-13-N
  467083.0570  0.0300 -2.7978 3  580.2872109 -58516 303541540      531539        C-13-H3C-13-H2C-13-N
  467092.5700  0.0300 -2.7024 3  538.7741109 -58516 303541341      531340        C-13-H3C-13-H2C-13-N
  467092.5700  0.0300 -2.7024 3  538.7741109 -58516 303541342      531341        C-13-H3C-13-H2C-13-N
  467114.3290  0.0300 -3.6570 3  347.6004 87 -58516 303431132      431033        C-13-H3C-13-H2C-13-N
  467114.3290  0.0300 -3.6570 3  347.6004 87 -58516 303431133      431034        C-13-H3C-13-H2C-13-N
  467130.3880  0.0300 -2.8506 3  603.2446109 -58516 303541638      531637        C-13-H3C-13-H2C-13-N
  467130.3880  0.0300 -2.8506 3  603.2446109 -58516 303541639      531638        C-13-H3C-13-H2C-13-N
  467168.2070  0.0300 -2.6597 3  520.2378109 -58516 303541243      531242        C-13-H3C-13-H2C-13-N
  467168.2070  0.0300 -2.6597 3  520.2378109 -58516 303541242      531241        C-13-H3C-13-H2C-13-N
  467204.3179  0.0016 -3.6431 3  335.1825 85  58516 303421131      421032        C-13-H3C-13-H2C-13-N
  467204.3234  0.0016 -3.6431 3  335.1825 85  58516 303421132      421033        C-13-H3C-13-H2C-13-N
  467204.4790  0.0300 -2.9067 3  627.6577109 -58516 303541737      531736        C-13-H3C-13-H2C-13-N
  467204.4790  0.0300 -2.9067 3  627.6577109 -58516 303541738      531737        C-13-H3C-13-H2C-13-N
  467284.5230  0.0300 -3.6302 3  323.0535 83 -58516 303411130      411031        C-13-H3C-13-H2C-13-N
  467284.5230  0.0300 -3.6302 3  323.0535 83 -58516 303411131      411032        C-13-H3C-13-H2C-13-N
  467301.4940  0.0300 -2.9662 3  653.5184109 -58516 303541836      531835        C-13-H3C-13-H2C-13-N
  467301.4940  0.0300 -2.9662 3  653.5184109 -58516 303541837      531836        C-13-H3C-13-H2C-13-N
  467311.7550  0.0300 -2.6204 3  503.1972109 -58516 303541144      531143        C-13-H3C-13-H2C-13-N
  467311.7550  0.0300 -2.6204 3  503.1972109 -58516 303541143      531142        C-13-H3C-13-H2C-13-N
  467355.5090  0.0500 -3.6183 3  311.2134 81 -58516 303401129      401030        C-13-H3C-13-H2C-13-N
  467355.5090  0.0500 -3.6183 3  311.2134 81 -58516 303401130      401031        C-13-H3C-13-H2C-13-N
  467370.4442  0.0026 -4.4744 3   93.4861 23  58516 3031111 0      1110 1        C-13-H3C-13-H2C-13-N
  467370.4442  0.0026 -4.4744 3   93.4861 23  58516 3031111 1      1110 2        C-13-H3C-13-H2C-13-N
  467389.5265  0.0026 -4.1974 3   96.9510 25  58516 3031211 1      1210 2        C-13-H3C-13-H2C-13-N
  467389.5265  0.0026 -4.1974 3   96.9510 25  58516 3031211 2      1210 3        C-13-H3C-13-H2C-13-N
  467409.4700  0.0300 -4.0439 3  100.7046 27 -58516 3031311 2      1310 3        C-13-H3C-13-H2C-13-N
  467409.4700  0.0300 -4.0439 3  100.7046 27 -58516 3031311 3      1310 4        C-13-H3C-13-H2C-13-N
  467417.8190  0.0016 -3.6074 3  299.6621 79  58516 303391128      391029        C-13-H3C-13-H2C-13-N
  467417.8203  0.0016 -3.6074 3  299.6621 79  58516 303391129      391030        C-13-H3C-13-H2C-13-N
  467418.3900  0.0500 -3.0291 3  680.8184109 -58516 303541935      531934        C-13-H3C-13-H2C-13-N
  467418.3900  0.0500 -3.0291 3  680.8184109 -58516 303541936      531935        C-13-H3C-13-H2C-13-N
  467430.0960  0.0300 -3.9404 3  104.7470 29 -58516 3031411 3      1410 4        C-13-H3C-13-H2C-13-N
  467430.0960  0.0300 -3.9404 3  104.7470 29 -58516 3031411 4      1410 5        C-13-H3C-13-H2C-13-N
  467451.3220  0.0300 -3.8642 3  109.0781 31 -58516 3031511 4      1510 5        C-13-H3C-13-H2C-13-N
  467451.3220  0.0300 -3.8642 3  109.0781 31 -58516 3031511 5      1510 6        C-13-H3C-13-H2C-13-N
  467471.9650  0.0300 -3.5974 3  288.3996 77 -58516 303381127      381028        C-13-H3C-13-H2C-13-N
  467471.9650  0.0300 -3.5974 3  288.3996 77 -58516 303381128      381029        C-13-H3C-13-H2C-13-N
  467472.8474  0.0023 -3.8050 3  113.6980 33  58516 3031611 5      1610 6        C-13-H3C-13-H2C-13-N
  467472.8474  0.0023 -3.8050 3  113.6980 33  58516 3031611 6      1610 7        C-13-H3C-13-H2C-13-N
  467494.4765  0.0022 -3.7577 3  118.6067 35  58516 3031711 6      1710 7        C-13-H3C-13-H2C-13-N
  467494.4765  0.0022 -3.7577 3  118.6067 35  58516 3031711 7      1710 8        C-13-H3C-13-H2C-13-N
  467515.9870  0.0300 -3.7191 3  123.8041 37 -58516 3031811 7      1810 8        C-13-H3C-13-H2C-13-N
  467515.9870  0.0300 -3.7191 3  123.8041 37 -58516 3031811 8      1810 9        C-13-H3C-13-H2C-13-N
  467518.3910  0.0300 -3.5885 3  277.4260 75 -58516 303371126      371027        C-13-H3C-13-H2C-13-N
  467518.3910  0.0300 -3.5885 3  277.4260 75 -58516 303371127      371028        C-13-H3C-13-H2C-13-N
  467521.7350  0.0300 -3.7164 3  409.2166107 -58516 30353 450      52 349        C-13-H3C-13-H2C-13-N
  467537.1730  0.0300 -3.6871 3  129.2903 39 -58516 3031911 8      1910 9        C-13-H3C-13-H2C-13-N
  467537.1730  0.0300 -3.6871 3  129.2903 39 -58516 3031911 9      191010        C-13-H3C-13-H2C-13-N
  467550.2150  0.0500 -2.5843 3  487.6683109 -58516 303541045      531044        C-13-H3C-13-H2C-13-N
  467550.3290  0.0011 -2.5843 3  487.6683109  58516 303541044      531043        C-13-H3C-13-H2C-13-N
  467553.0840  0.0300 -3.0954 3  709.5498109 -58516 303542034      532033        C-13-H3C-13-H2C-13-N
  467553.0840  0.0300 -3.0954 3  709.5498109 -58516 303542035      532034        C-13-H3C-13-H2C-13-N
  467557.7250  0.0300 -3.5807 3  266.7413 73 -58516 303361125      361026        C-13-H3C-13-H2C-13-N
  467557.7250  0.0300 -3.5807 3  266.7413 73 -58516 303361126      361027        C-13-H3C-13-H2C-13-N
  467557.7250  0.0300 -3.6605 3  135.0653 41 -58516 3032011 9      201010        C-13-H3C-13-H2C-13-N
  467557.7250  0.0300 -3.6605 3  135.0653 41 -58516 303201110      201011        C-13-H3C-13-H2C-13-N
  467577.5490  0.0300 -3.6382 3  141.1290 43 -58516 303211110      211011        C-13-H3C-13-H2C-13-N
  467577.5490  0.0300 -3.6382 3  141.1290 43 -58516 303211111      211012        C-13-H3C-13-H2C-13-N
  467583.1070  0.0300 -2.4593 3  432.9313109 -58516 30354 550      53 549        C-13-H3C-13-H2C-13-N
  467590.2310  0.0300 -3.5740 3  256.3454 71 -58516 303351124      351025        C-13-H3C-13-H2C-13-N
  467590.2310  0.0300 -3.5740 3  256.3454 71 -58516 303351125      351026        C-13-H3C-13-H2C-13-N
  467596.1610  0.0300 -3.6195 3  147.4816 45 -58516 303221111      221012        C-13-H3C-13-H2C-13-N
  467596.1610  0.0300 -3.6195 3  147.4816 45 -58516 303221112      221013        C-13-H3C-13-H2C-13-N
  467613.4094  0.0019 -3.6040 3  154.1229 47  58516 303231112      231013        C-13-H3C-13-H2C-13-N
  467613.4094  0.0019 -3.6040 3  154.1229 47  58516 303231113      231014        C-13-H3C-13-H2C-13-N
  467616.5920  0.0300 -3.5684 3  246.2383 69 -58516 303341123      341024        C-13-H3C-13-H2C-13-N
  467616.5920  0.0300 -3.5684 3  246.2383 69 -58516 303341124      341025        C-13-H3C-13-H2C-13-N
  467628.9470  0.0300 -3.5913 3  161.0530 49 -58516 303241113      241014        C-13-H3C-13-H2C-13-N
  467628.9470  0.0300 -3.5913 3  161.0530 49 -58516 303241114      241015        C-13-H3C-13-H2C-13-N
  467637.1130  0.0300 -3.5641 3  236.4201 67 -58516 303331122      331023        C-13-H3C-13-H2C-13-N
  467637.1130  0.0300 -3.5641 3  236.4201 67 -58516 303331123      331024        C-13-H3C-13-H2C-13-N
  467642.4690  0.0300 -3.5810 3  168.2719 51 -58516 303251114      251015        C-13-H3C-13-H2C-13-N
  467642.4690  0.0300 -3.5810 3  168.2719 51 -58516 303251115      251016        C-13-H3C-13-H2C-13-N
  467652.2680  0.0300 -3.5610 3  226.8907 65 -58516 303321121      321022        C-13-H3C-13-H2C-13-N
  467652.2680  0.0300 -3.5610 3  226.8907 65 -58516 303321122      321023        C-13-H3C-13-H2C-13-N
  467653.6900  0.0300 -3.5729 3  175.7796 53 -58516 303261115      261016        C-13-H3C-13-H2C-13-N
  467653.6900  0.0300 -3.5729 3  175.7796 53 -58516 303261116      261017        C-13-H3C-13-H2C-13-N
  467662.1974  0.0017 -3.5668 3  183.5761 55  58516 303271116      271017        C-13-H3C-13-H2C-13-N
  467662.1974  0.0017 -3.5668 3  183.5761 55  58516 303271117      271018        C-13-H3C-13-H2C-13-N
  467662.5478  0.0016 -3.5592 3  217.6501 63  58516 303311120      311021        C-13-H3C-13-H2C-13-N
  467662.5478  0.0016 -3.5592 3  217.6501 63  58516 303311121      311022        C-13-H3C-13-H2C-13-N
  467667.7167  0.0017 -3.5625 3  191.6614 57  58516 303281117      281018        C-13-H3C-13-H2C-13-N
  467667.7167  0.0017 -3.5625 3  191.6614 57  58516 303281118      281019        C-13-H3C-13-H2C-13-N
  467668.2700  0.0016 -3.5588 3  208.6984 61  58516 303301119      301020        C-13-H3C-13-H2C-13-N
  467668.2700  0.0016 -3.5588 3  208.6984 61  58516 303301120      301021        C-13-H3C-13-H2C-13-N
  467669.8520  0.0300 -3.5598 3  200.0355 59 -58516 303291118      291019        C-13-H3C-13-H2C-13-N
  467669.8520  0.0300 -3.5598 3  200.0355 59 -58516 303291119      291020        C-13-H3C-13-H2C-13-N
  467703.8530  0.0500 -3.1651 3  739.7042109 -58516 303542133      532132        C-13-H3C-13-H2C-13-N
  467703.8530  0.0500 -3.1651 3  739.7042109 -58516 303542134      532133        C-13-H3C-13-H2C-13-N
  467745.1979  0.0091 -5.6860 3  710.6107137  58516 30368 861      68 662        C-13-H3C-13-H2C-13-N
  467869.1480  0.0500 -3.2381 3  771.2734109 -58516 303542232      532231        C-13-H3C-13-H2C-13-N
  467869.1480  0.0500 -3.2381 3  771.2734109 -58516 303542233      532232        C-13-H3C-13-H2C-13-N
  467927.5610  0.0300 -2.5516 3  473.6736109 -58516 30354 946      53 945        C-13-H3C-13-H2C-13-N
  467932.0350  0.0300 -2.5516 3  473.6740109 -58516 30354 945      53 944        C-13-H3C-13-H2C-13-N
  467968.1227  0.0029 -3.4552 3  440.5383115  58516 30357 057      56 156        C-13-H3C-13-H2C-13-N
  467968.4760  0.0300 -2.4473 3  440.5383115 -58516 30357 157      56 156        C-13-H3C-13-H2C-13-N
  467968.4760  0.0300 -2.4473 3  440.5383115 -58516 30357 057      56 056        C-13-H3C-13-H2C-13-N
  467968.8229  0.0029 -3.4552 3  440.5383115  58516 30357 157      56 056        C-13-H3C-13-H2C-13-N
  468048.2020  0.0300 -3.3146 3  804.2489109 -58516 303542331      532330        C-13-H3C-13-H2C-13-N
  468048.2020  0.0300 -3.3146 3  804.2489109 -58516 303542332      532331        C-13-H3C-13-H2C-13-N
  468074.6287  0.0065 -5.0045 3  126.9624 61  58516 30330 327      29 128        C-13-H3C-13-H2C-13-N
  468239.9690  0.0300 -3.3945 3  838.6219109 -58516 303542430      532429        C-13-H3C-13-H2C-13-N
  468239.9690  0.0300 -3.3945 3  838.6219109 -58516 303542431      532430        C-13-H3C-13-H2C-13-N
  468300.6500  0.0300 -2.4388 3  420.1380107 -58516 30353 548      52 547        C-13-H3C-13-H2C-13-N
  468443.8040  0.0300 -3.4778 3  874.3835109 -58516 303542529      532528        C-13-H3C-13-H2C-13-N
  468443.8040  0.0300 -3.4778 3  874.3835109 -58516 303542530      532529        C-13-H3C-13-H2C-13-N
  468506.1220  0.0300 -2.5221 3  461.2471109 -58516 30354 847      53 846        C-13-H3C-13-H2C-13-N
  468571.0290  0.0300 -2.5220 3  461.2538109 -58516 30354 846      53 845        C-13-H3C-13-H2C-13-N
  468581.8640  0.0300 -3.6493 3  146.4608 63 -58516 30331 526      30 427        C-13-H3C-13-H2C-13-N
  468636.0497  0.0273 -5.8216 3 1606.0125205  58516 303A21290      A21191        C-13-H3C-13-H2C-13-N
  468659.0150  0.0300 -3.5645 3  911.5248109 -58516 303542628      532627        C-13-H3C-13-H2C-13-N
  468659.0150  0.0300 -3.5645 3  911.5248109 -58516 303542629      532628        C-13-H3C-13-H2C-13-N
  468885.1530  0.0500 -3.6547 3  950.0363109 -58516 303542727      532726        C-13-H3C-13-H2C-13-N
  468885.1530  0.0500 -3.6547 3  950.0363109 -58516 303542728      532727        C-13-H3C-13-H2C-13-N
  469073.5539  0.0035 -6.0692 3  160.2544 29  58516 3031414 0      1513 3        C-13-H3C-13-H2C-13-N
  469073.5539  0.0035 -6.0692 3  160.2544 29  58516 3031414 1      1513 2        C-13-H3C-13-H2C-13-N
  469121.8010  0.0300 -3.7484 3  989.9086109 -58516 303542826      532825        C-13-H3C-13-H2C-13-N
  469121.8010  0.0300 -3.7484 3  989.9086109 -58516 303542827      532826        C-13-H3C-13-H2C-13-N
  469248.1830  0.0300 -2.4959 3  450.4269109 -58516 30354 748      53 747        C-13-H3C-13-H2C-13-N
  469368.6010  0.0300 -3.8456 3 1031.1320109 -58516 303542925      532924        C-13-H3C-13-H2C-13-N
  469368.6010  0.0300 -3.8456 3 1031.1320109 -58516 303542926      532925        C-13-H3C-13-H2C-13-N
  469389.4588  0.0042 -5.3747 3  375.0751 99  58516 30349 743      49 544        C-13-H3C-13-H2C-13-N
  469472.7760  0.0300 -2.4743 3  441.1479109 -58516 30354 649      53 648        C-13-H3C-13-H2C-13-N
  469483.4831  0.0034 -5.1132 3  206.2429 39  58516 3031915 4      2014 7        C-13-H3C-13-H2C-13-N
  469483.4831  0.0034 -5.1132 3  206.2429 39  58516 3031915 5      2014 6        C-13-H3C-13-H2C-13-N
  469521.1820  0.0300 -3.5528 3  112.5494 53 -58516 30326 621      25 520        C-13-H3C-13-H2C-13-N
  469625.1009  0.0029 -3.9463 3 1073.6967109  58516 303543024      533023        C-13-H3C-13-H2C-13-N
  469625.1009  0.0029 -3.9463 3 1073.6967109  58516 303543025      533024        C-13-H3C-13-H2C-13-N
  469655.0830  0.0300 -3.5526 3  112.5451 53 -58516 30326 620      25 521        C-13-H3C-13-H2C-13-N
  469802.8817  0.0033 -4.8465 3  260.9195 49  58516 3032416 8      251511        C-13-H3C-13-H2C-13-N
  469802.8817  0.0033 -4.8465 3  260.9195 49  58516 3032416 9      251510        C-13-H3C-13-H2C-13-N
  469860.1733  0.0432 -5.7616 3  906.2429161  58516 30380 278      80 279        C-13-H3C-13-H2C-13-N
  469860.2469  0.0432 -4.9990 3  906.2429161  58516 30380 278      80 179        C-13-H3C-13-H2C-13-N
  469862.9287  0.0432 -4.9990 3  906.2429161  58516 30380 378      80 279        C-13-H3C-13-H2C-13-N
  469863.0023  0.0432 -5.7616 3  906.2429161  58516 30380 378      80 179        C-13-H3C-13-H2C-13-N
  469874.7349  0.0810 -6.0238 3 1284.3733149  58516 303742648      752551        C-13-H3C-13-H2C-13-N
  469874.7349  0.0810 -6.0238 3 1284.3733149  58516 303742649      752550        C-13-H3C-13-H2C-13-N
  469891.0980  0.0300 -4.0506 3 1117.5925109 -58516 303543123      533122        C-13-H3C-13-H2C-13-N
  469891.0980  0.0300 -4.0506 3 1117.5925109 -58516 303543124      533123        C-13-H3C-13-H2C-13-N
  469909.2050  0.0300 -2.4949 3  450.5097109 -58516 30354 747      53 746        C-13-H3C-13-H2C-13-N
  469987.9445  0.0513 -5.7723 3 1143.1481139  58516 303692544      702447        C-13-H3C-13-H2C-13-N
  469987.9445  0.0513 -5.7723 3 1143.1481139  58516 303692545      702446        C-13-H3C-13-H2C-13-N
  470038.9556  0.0033 -4.7517 3  324.2812 59  58516 303291712      301615        C-13-H3C-13-H2C-13-N
  470038.9556  0.0033 -4.7517 3  324.2812 59  58516 303291713      301614        C-13-H3C-13-H2C-13-N
  470097.7414  0.0306 -5.5433 3 1010.5351129  58516 303642440      652343        C-13-H3C-13-H2C-13-N
  470097.7414  0.0306 -5.5433 3 1010.5351129  58516 303642441      652342        C-13-H3C-13-H2C-13-N
  470166.3558  0.0035 -4.1585 3 1162.8094109  58516 303543222      533221        C-13-H3C-13-H2C-13-N
  470166.3558  0.0035 -4.1585 3 1162.8094109  58516 303543223      533222        C-13-H3C-13-H2C-13-N
  470195.8540  0.0169 -5.3378 3  886.5464119  58516 303592336      602239        C-13-H3C-13-H2C-13-N
  470195.8540  0.0169 -5.3378 3  886.5464119  58516 303592337      602238        C-13-H3C-13-H2C-13-N
  470199.9227  0.0033 -4.7431 3  396.3243 69  58516 303341816      351719        C-13-H3C-13-H2C-13-N
  470199.9227  0.0033 -4.7431 3  396.3243 69  58516 303341817      351718        C-13-H3C-13-H2C-13-N
  470273.6451  0.0084 -5.1573 3  771.1932109  58516 303542232      552135        C-13-H3C-13-H2C-13-N
  470273.6451  0.0084 -5.1573 3  771.1932109  58516 303542233      552134        C-13-H3C-13-H2C-13-N
  470294.6307  0.0032 -4.7905 3  477.0436 79  58516 303391920      401823        C-13-H3C-13-H2C-13-N
  470294.6307  0.0032 -4.7905 3  477.0436 79  58516 303391921      401822        C-13-H3C-13-H2C-13-N
  470322.1743  0.0041 -5.0037 3  664.4857 99  58516 303492128      502031        C-13-H3C-13-H2C-13-N
  470322.1743  0.0041 -5.0037 3  664.4857 99  58516 303492129      502030        C-13-H3C-13-H2C-13-N
  470332.2720  0.0030 -4.8799 3  566.4331 89  58516 303442024      451927        C-13-H3C-13-H2C-13-N
  470332.2720  0.0030 -4.8799 3  566.4331 89  58516 303442025      451926        C-13-H3C-13-H2C-13-N
  470450.5490  0.0300 -4.2701 3 1209.3369109 -58516 303543321      533320        C-13-H3C-13-H2C-13-N
  470450.5490  0.0300 -4.2701 3 1209.3369109 -58516 303543322      533321        C-13-H3C-13-H2C-13-N
  470514.7172  0.0405 -5.7758 3 1283.4586185  58516 30392 983      911082        C-13-H3C-13-H2C-13-N
  470578.3638  0.0100 -4.8472 3   98.3591 55  58516 30327 225      26 126        C-13-H3C-13-H2C-13-N
  470727.4351  0.0345 -5.4584 3 1322.3673191  58516 30395 590      95 491        C-13-H3C-13-H2C-13-N
  470743.4950  0.0300 -4.3854 3 1257.1645109 -58516 303543420      533419        C-13-H3C-13-H2C-13-N
  470743.4950  0.0300 -4.3854 3 1257.1645109 -58516 303543421      533420        C-13-H3C-13-H2C-13-N
  470773.7646  0.0463 -5.7556 3 1505.0170203  58516 303A1 695      A1 596        C-13-H3C-13-H2C-13-N
  470993.5275  0.0049 -5.3951 3  351.7201 97  58516 30348 642      48 445        C-13-H3C-13-H2C-13-N
  471031.2636  0.0810 -5.8244 3  804.0461153  58516 30376 175      76 176        C-13-H3C-13-H2C-13-N
  471031.2661  0.0810 -5.0863 3  804.0461153  58516 30376 175      76 076        C-13-H3C-13-H2C-13-N
  471031.4546  0.0810 -5.0863 3  804.0461153  58516 30376 275      76 176        C-13-H3C-13-H2C-13-N
  471031.4571  0.0810 -5.8244 3  804.0461153  58516 30376 275      76 076        C-13-H3C-13-H2C-13-N
  471045.0358  0.0093 -4.5045 3 1306.2814109  58516 303543519      533518        C-13-H3C-13-H2C-13-N
  471045.0358  0.0093 -4.5045 3 1306.2814109  58516 303543520      533519        C-13-H3C-13-H2C-13-N
  471058.6180  0.0300 -2.4593 3  440.2515111 -58516 30355 452      54 451        C-13-H3C-13-H2C-13-N
  471127.5140  0.0300 -3.6644 3  165.1773 67 -58516 30333 529      32 428        C-13-H3C-13-H2C-13-N
  471192.2503  0.0099 -5.5503 3   98.3386 55  58516 30327 225      26 026        C-13-H3C-13-H2C-13-N
  471301.6612  0.0244 -5.7614 3 1576.5642203  58516 303A11289      A11190        C-13-H3C-13-H2C-13-N
  471355.0910  0.0300 -4.6276 3 1356.6769109 -58516 303543618      533617        C-13-H3C-13-H2C-13-N
  471355.0910  0.0300 -4.6276 3 1356.6769109 -58516 303543619      533618        C-13-H3C-13-H2C-13-N
  471363.5018  0.0343 -5.4573 3 1322.3690191  58516 30395 690      95 591        C-13-H3C-13-H2C-13-N
  471537.6772  0.0023 -4.9591 3  122.2757 59  58516 30329 425      28 226        C-13-H3C-13-H2C-13-N
  471672.9465  0.0212 -4.7546 3 1408.3400109  58516 303543717      533716        C-13-H3C-13-H2C-13-N
  471672.9465  0.0212 -4.7546 3 1408.3400109  58516 303543718      533717        C-13-H3C-13-H2C-13-N
  471812.9080  0.0020 -3.5025 3   87.4636 43  58516 30321 715      20 614        C-13-H3C-13-H2C-13-N
  471813.2102  0.0020 -3.5025 3   87.4636 43  58516 30321 714      20 615        C-13-H3C-13-H2C-13-N
  471999.0022  0.0310 -4.8858 3 1461.2595109  58516 303543816      533815        C-13-H3C-13-H2C-13-N
  471999.0022  0.0310 -4.8858 3 1461.2595109  58516 303543817      533816        C-13-H3C-13-H2C-13-N
  472294.0222  0.0183 -4.9960 3  894.2141155  58516 30377 770      76 869        C-13-H3C-13-H2C-13-N
  472324.7622  0.0625 -6.0849 3 1698.5857215  58516 303A7 8A0      A7 7A1        C-13-H3C-13-H2C-13-N
  472332.9103  0.0441 -5.0214 3 1515.4244109  58516 303543915      533914        C-13-H3C-13-H2C-13-N
  472332.9103  0.0441 -5.0214 3 1515.4244109  58516 303543916      533915        C-13-H3C-13-H2C-13-N
  472341.3020  0.0013 -3.6157 3  446.6891113  58516 30356 254      55 353        C-13-H3C-13-H2C-13-N
  472495.4320  0.0300 -2.4560 3  439.9429111 -58516 30355 352      54 351        C-13-H3C-13-H2C-13-N
  472641.0080  0.0300 -3.7514 3  455.9644113 -58516 30356 353      55 452        C-13-H3C-13-H2C-13-N
  472644.1729  0.0286 -6.0432 3 1726.0935213  58516 303A61295      A61196        C-13-H3C-13-H2C-13-N
  472674.5207  0.0613 -5.1615 3 1570.8231109  58516 303544014      534013        C-13-H3C-13-H2C-13-N
  472674.5207  0.0613 -5.1615 3 1570.8231109  58516 303544015      534014        C-13-H3C-13-H2C-13-N
  472853.6870  0.0300 -2.4609 3  446.6891113 -58516 30356 354      55 353        C-13-H3C-13-H2C-13-N
  472865.0817  0.0335 -5.8766 3 1037.1234171  58516 30385 382      85 383        C-13-H3C-13-H2C-13-N
  472865.9800  0.0335 -5.0880 3 1037.1234171  58516 30385 382      85 283        C-13-H3C-13-H2C-13-N
  472886.9474  0.0335 -5.0880 3 1037.1234171  58516 30385 482      85 383        C-13-H3C-13-H2C-13-N
  472887.8457  0.0335 -5.8766 3 1037.1234171  58516 30385 482      85 283        C-13-H3C-13-H2C-13-N
  472921.6290  0.0300 -3.8803 3  159.0669 67 -58516 30333 429      32 330        C-13-H3C-13-H2C-13-N
  472971.3450  0.0300 -2.4606 3  446.6681113 -58516 30356 254      55 253        C-13-H3C-13-H2C-13-N
  473023.6907  0.0835 -5.3064 3 1627.4443109  58516 303544113      534112        C-13-H3C-13-H2C-13-N
  473023.6907  0.0835 -5.3064 3 1627.4443109  58516 303544114      534113        C-13-H3C-13-H2C-13-N
  473048.2342  0.0455 -5.7517 3 1505.0247203  58516 303A1 795      A1 696        C-13-H3C-13-H2C-13-N
  473151.0590  0.0300 -3.4748 3   71.1506 33 -58516 30316 8 9      15 7 8        C-13-H3C-13-H2C-13-N
  473151.0590  0.0300 -3.4748 3   71.1506 33 -58516 30316 8 8      15 7 9        C-13-H3C-13-H2C-13-N
  473339.2236  0.0336 -6.0648 3 1175.8633181  58516 30390 486      90 487        C-13-H3C-13-H2C-13-N
  473346.8719  0.0336 -5.2486 3 1175.8631181  58516 30390 486      90 387        C-13-H3C-13-H2C-13-N
  473380.2845  0.1117 -5.4564 3 1685.2764109  58516 303544212      534211        C-13-H3C-13-H2C-13-N
  473380.2845  0.1117 -5.4564 3 1685.2764109  58516 303544213      534212        C-13-H3C-13-H2C-13-N
  473406.2510  0.0300 -2.4684 3  441.8190109 -58516 30354 648      53 647        C-13-H3C-13-H2C-13-N
  473420.3824  0.0065 -5.6525 3   77.6017 49  58516 30324 322      23 123        C-13-H3C-13-H2C-13-N
  473428.7871  0.0033 -5.5147 3   51.0331 39  58516 30319 416      18 117        C-13-H3C-13-H2C-13-N
  473474.3480  0.0336 -5.2484 3 1175.8633181  58516 30390 586      90 487        C-13-H3C-13-H2C-13-N
  473481.9962  0.0336 -6.0646 3 1175.8631181  58516 30390 586      90 387        C-13-H3C-13-H2C-13-N
  473483.7240  0.0300 -3.6136 3  446.6681113 -58516 30356 354      55 253        C-13-H3C-13-H2C-13-N
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  473744.1730  0.1474 -5.6120 3 1744.3076109  58516 303544311      534310        C-13-H3C-13-H2C-13-N
  473744.1730  0.1474 -5.6120 3 1744.3076109  58516 303544312      534311        C-13-H3C-13-H2C-13-N
  473778.3321  0.0220 -5.7021 3 1547.4089201  58516 303A01288      A01189        C-13-H3C-13-H2C-13-N
  473797.8500  0.0300 -3.7179 3  424.4474109 -58516 30354 451      53 350        C-13-H3C-13-H2C-13-N
  473845.5368  0.0263 -5.9829 3 1695.5614211  58516 303A51294      A51195        C-13-H3C-13-H2C-13-N
  473913.8293  0.0090 -5.9046 3  113.5606 57  58516 30328 425      28 128        C-13-H3C-13-H2C-13-N
  474115.2330  0.1918 -5.7737 3 1804.5262109  58516 303544410      5344 9        C-13-H3C-13-H2C-13-N
  474115.2330  0.1918 -5.7737 3 1804.5262109  58516 303544411      534410        C-13-H3C-13-H2C-13-N
  474161.6282  0.0063 -5.6192 3  316.9274 93  58516 30346 541      46 344        C-13-H3C-13-H2C-13-N
  474167.9769  0.0035 -5.4932 3   69.2402 45  58516 30322 419      21 220        C-13-H3C-13-H2C-13-N
  474201.4570  0.0300 -3.4512 3   63.5504 23 -58516 30311 9 2      10 8 3        C-13-H3C-13-H2C-13-N
  474201.4570  0.0300 -3.4512 3   63.5504 23 -58516 30311 9 3      10 8 2        C-13-H3C-13-H2C-13-N
  474333.7514  0.0094 -4.6381 3  735.6571141  58516 30370 664      69 763        C-13-H3C-13-H2C-13-N
  474420.2330  0.0300 -3.5311 3  451.9614115 -58516 30357 156      56 255        C-13-H3C-13-H2C-13-N
  474437.3770  0.0300 -2.4604 3  451.9614115 -58516 30357 256      56 255        C-13-H3C-13-H2C-13-N
  474441.8670  0.0300 -2.4604 3  451.9607115 -58516 30357 156      56 155        C-13-H3C-13-H2C-13-N
  474459.0040  0.0300 -3.5310 3  451.9607115 -58516 30357 256      56 155        C-13-H3C-13-H2C-13-N
  474493.3477  0.2466 -5.9422 3 1865.9202109  58516 3035445 9      5345 8        C-13-H3C-13-H2C-13-N
  474493.3477  0.2466 -5.9422 3 1865.9202109  58516 303544510      5345 9        C-13-H3C-13-H2C-13-N
  474614.9324  0.0064 -4.9781 3   77.5618 49  58516 30324 322      23 023        C-13-H3C-13-H2C-13-N
  475079.0402  0.0242 -5.9233 3 1665.3131209  58516 303A41293      A41194        C-13-H3C-13-H2C-13-N
  475684.8800  0.0300 -2.7562 3  574.3737111 -58516 303551441      541440        C-13-H3C-13-H2C-13-N
  475684.8800  0.0300 -2.7562 3  574.3737111 -58516 303551442      541441        C-13-H3C-13-H2C-13-N
  475695.6930  0.0300 -2.8054 3  595.8674111 -58516 303551540      541539        C-13-H3C-13-H2C-13-N
  475695.6930  0.0300 -2.8054 3  595.8674111 -58516 303551541      541540        C-13-H3C-13-H2C-13-N
  475715.7750  0.0300 -2.7103 3  554.3546111 -58516 303551343      541342        C-13-H3C-13-H2C-13-N
  475715.7750  0.0300 -2.7103 3  554.3546111 -58516 303551342      541341        C-13-H3C-13-H2C-13-N
  475740.1310  0.0300 -2.8580 3  618.8264111 -58516 303551639      541638        C-13-H3C-13-H2C-13-N
  475740.1310  0.0300 -2.8580 3  618.8264111 -58516 303551640      541639        C-13-H3C-13-H2C-13-N
  475800.2000  0.0300 -2.6678 3  535.8208111 -58516 303551244      541243        C-13-H3C-13-H2C-13-N
  475800.2000  0.0300 -2.6678 3  535.8208111 -58516 303551243      541242        C-13-H3C-13-H2C-13-N
  475812.5010  0.0300 -2.9139 3  643.2420111 -58516 303551738      541737        C-13-H3C-13-H2C-13-N
  475812.5010  0.0300 -2.9139 3  643.2420111 -58516 303551739      541738        C-13-H3C-13-H2C-13-N
  475908.6480  0.0300 -2.9732 3  669.1059111 -58516 303551837      541836        C-13-H3C-13-H2C-13-N
  475908.6480  0.0300 -2.9732 3  669.1059111 -58516 303551838      541837        C-13-H3C-13-H2C-13-N
  475956.1150  0.0300 -2.6286 3  518.7851111 -58516 303551145      541144        C-13-H3C-13-H2C-13-N
  475956.1150  0.0300 -2.6286 3  518.7851111 -58516 303551144      541143        C-13-H3C-13-H2C-13-N
  475964.0190  0.0300 -2.4685 3  448.5282111 -58516 30355 551      54 550        C-13-H3C-13-H2C-13-N
  476008.7106  0.0041 -5.3671 3  360.6595 97  58516 30348 742      48 543        C-13-H3C-13-H2C-13-N
  476025.5080  0.0300 -3.0359 3  696.4098111 -58516 303551936      541935        C-13-H3C-13-H2C-13-N
  476025.5080  0.0300 -3.0359 3  696.4098111 -58516 303551937      541936        C-13-H3C-13-H2C-13-N
  476078.4941  0.0030 -3.4650 3  456.1480117  58516 30358 058      57 157        C-13-H3C-13-H2C-13-N
  476078.7710  0.0300 -2.4576 3  456.1480117 -58516 30358 158      57 157        C-13-H3C-13-H2C-13-N
  476078.7710  0.0300 -2.4576 3  456.1480117 -58516 30358 058      57 057        C-13-H3C-13-H2C-13-N
  476079.0375  0.0030 -3.4650 3  456.1480117  58516 30358 158      57 057        C-13-H3C-13-H2C-13-N
  476081.6218  0.0200 -5.6438 3 1518.5462199  58516 303991287      991188        C-13-H3C-13-H2C-13-N
  476160.7520  0.0300 -3.1019 3  725.1457111 -58516 303552035      542034        C-13-H3C-13-H2C-13-N
  476160.7520  0.0300 -3.1019 3  725.1457111 -58516 303552036      542035        C-13-H3C-13-H2C-13-N
  476212.1448  0.0011 -2.5927 3  503.2641111  58516 303551046      541045        C-13-H3C-13-H2C-13-N
  476212.4714  0.0011 -2.5927 3  503.2641111  58516 303551045      541044        C-13-H3C-13-H2C-13-N
  476244.5165  0.0454 -5.7962 3  928.5354163  58516 30381 279      81 280        C-13-H3C-13-H2C-13-N
  476244.5745  0.0454 -5.0337 3  928.5354163  58516 30381 279      81 180        C-13-H3C-13-H2C-13-N
  476246.7194  0.0454 -5.0337 3  928.5354163  58516 30381 379      81 280        C-13-H3C-13-H2C-13-N
  476246.7773  0.0454 -5.7962 3  928.5354163  58516 30381 379      81 180        C-13-H3C-13-H2C-13-N
  476312.5710  0.0300 -3.1713 3  755.3052111 -58516 303552134      542133        C-13-H3C-13-H2C-13-N
  476312.5710  0.0300 -3.1713 3  755.3052111 -58516 303552135      542134        C-13-H3C-13-H2C-13-N
  476335.9905  0.0225 -5.8643 3 1635.3491207  58516 303A31292      A31193        C-13-H3C-13-H2C-13-N
  476479.5600  0.0300 -3.2440 3  786.8799111 -58516 303552233      542232        C-13-H3C-13-H2C-13-N
  476479.5600  0.0300 -3.2440 3  786.8799111 -58516 303552234      542233        C-13-H3C-13-H2C-13-N
  476615.2620  0.0300 -2.5600 3  489.2820111 -58516 30355 947      54 946        C-13-H3C-13-H2C-13-N
  476621.3000  0.0300 -2.5600 3  489.2825111 -58516 30355 946      54 945        C-13-H3C-13-H2C-13-N
  476660.6040  0.0300 -3.3202 3  819.8613111 -58516 303552332      542331        C-13-H3C-13-H2C-13-N
  476660.6040  0.0300 -3.3202 3  819.8613111 -58516 303552333      542332        C-13-H3C-13-H2C-13-N
  476827.7730  0.0024 -3.6693 3  174.8418 69  58516 30334 530      33 429        C-13-H3C-13-H2C-13-N
  476854.7600  0.0500 -3.3997 3  854.2407111 -58516 303552431      542430        C-13-H3C-13-H2C-13-N
  476854.7600  0.0500 -3.3997 3  854.2407111 -58516 303552432      542431        C-13-H3C-13-H2C-13-N
  476929.8056  0.0086 -5.6647 3  690.6047135  58516 30367 860      67 661        C-13-H3C-13-H2C-13-N
  477061.2860  0.0300 -3.4826 3  890.0091111 -58516 303552530      542529        C-13-H3C-13-H2C-13-N
  477061.2860  0.0300 -3.4826 3  890.0091111 -58516 303552531      542530        C-13-H3C-13-H2C-13-N
  477093.9721  0.0051 -5.4139 3  365.7886 99  58516 30349 643      49 446        C-13-H3C-13-H2C-13-N
  477193.1560  0.0300 -2.4470 3  435.7588109 -58516 30354 549      53 548        C-13-H3C-13-H2C-13-N
  477227.5050  0.0300 -2.5306 3  476.8748111 -58516 30355 848      54 847        C-13-H3C-13-H2C-13-N
  477279.5490  0.0300 -3.5689 3  927.1575111 -58516 303552629      542628        C-13-H3C-13-H2C-13-N
  477279.5490  0.0300 -3.5689 3  927.1575111 -58516 303552630      542629        C-13-H3C-13-H2C-13-N
  477311.2690  0.0300 -2.5304 3  476.8836111 -58516 30355 847      54 846        C-13-H3C-13-H2C-13-N
  477369.3055  0.0358 -5.5024 3 1349.3085193  58516 30396 591      96 492        C-13-H3C-13-H2C-13-N
  477414.5322  0.0849 -5.8566 3  825.0514155  58516 30377 176      77 177        C-13-H3C-13-H2C-13-N
  477414.5341  0.0849 -5.1183 3  825.0514155  58516 30377 176      77 077        C-13-H3C-13-H2C-13-N
  477414.6827  0.0849 -5.1183 3  825.0514155  58516 30377 276      77 177        C-13-H3C-13-H2C-13-N
  477414.6846  0.0849 -5.8566 3  825.0514155  58516 30377 276      77 077        C-13-H3C-13-H2C-13-N
  477509.0300  0.0500 -3.6586 3  965.6766111 -58516 303552728      542727        C-13-H3C-13-H2C-13-N
  477509.0300  0.0500 -3.6586 3  965.6766111 -58516 303552729      542728        C-13-H3C-13-H2C-13-N
  477608.3349  0.0209 -5.8058 3 1605.6697205  58516 303A21291      A21192        C-13-H3C-13-H2C-13-N
  477638.8287  0.0136 -5.8125 3  175.3394 71  58516 30335 332      35 035        C-13-H3C-13-H2C-13-N
  477685.5300  0.0300 -3.6495 3  155.4408 65 -58516 30332 527      31 428        C-13-H3C-13-H2C-13-N
  477711.1101  0.0487 -5.8029 3 1533.7681205  58516 303A2 696      A2 597        C-13-H3C-13-H2C-13-N
  477745.7292  0.0035 -6.0805 3   33.0123 29  58516 30314 5 9      13 310        C-13-H3C-13-H2C-13-N
  477749.2640  0.0300 -3.7518 3 1005.5568111 -58516 303552827      542826        C-13-H3C-13-H2C-13-N
  477749.2640  0.0300 -3.7518 3 1005.5568111 -58516 303552828      542827        C-13-H3C-13-H2C-13-N
  477897.0857  0.0062 -4.9327 3  316.8028 93  58516 30346 541      46 244        C-13-H3C-13-H2C-13-N
  477901.1247  0.0356 -5.5015 3 1349.3099193  58516 30396 691      96 592        C-13-H3C-13-H2C-13-N
  477922.9340  0.0300 -3.5455 3  120.0754 55 -58516 30327 622      26 521        C-13-H3C-13-H2C-13-N
  477982.1460  0.0300 -2.5046 3  466.0793111 -58516 30355 749      54 748        C-13-H3C-13-H2C-13-N
  477999.8300  0.0500 -3.8484 3 1046.7884111 -58516 303552926      542925        C-13-H3C-13-H2C-13-N
  477999.8300  0.0500 -3.8484 3 1046.7884111 -58516 303552927      542926        C-13-H3C-13-H2C-13-N
  478098.3732  0.0035 -5.2394 3  200.4638 37  58516 3031815 3      1914 6        C-13-H3C-13-H2C-13-N
  478098.3732  0.0035 -5.2394 3  200.4638 37  58516 3031815 4      1914 5        C-13-H3C-13-H2C-13-N
  478100.5090  0.0300 -2.4832 3  456.8079111 -58516 30355 650      54 649        C-13-H3C-13-H2C-13-N
  478119.6790  0.0300 -3.5452 3  120.0692 55 -58516 30327 621      26 522        C-13-H3C-13-H2C-13-N
  478153.1297  0.0810 -5.9755 3 1262.7356147  58516 303732647      742550        C-13-H3C-13-H2C-13-N
  478153.1297  0.0810 -5.9755 3 1262.7356147  58516 303732648      742549        C-13-H3C-13-H2C-13-N
  478226.1738  0.0183 -5.5865 3 1489.9752197  58516 303981286      981187        C-13-H3C-13-H2C-13-N
  478260.5060  0.0500 -3.9485 3 1089.3617111 -58516 303553025      543024        C-13-H3C-13-H2C-13-N
  478260.5060  0.0500 -3.9485 3 1089.3617111 -58516 303553026      543025        C-13-H3C-13-H2C-13-N
  478312.0322  0.0512 -5.7282 3 1122.9449137  58516 303682543      692446        C-13-H3C-13-H2C-13-N
  478312.0322  0.0512 -5.7282 3 1122.9449137  58516 303682544      692445        C-13-H3C-13-H2C-13-N
  478323.7388  0.0035 -6.0801 3   32.9930 29  58516 30314 510      13 311        C-13-H3C-13-H2C-13-N
  478401.9134  0.0034 -4.8951 3  253.6948 47  58516 3032316 7      241510        C-13-H3C-13-H2C-13-N
  478401.9134  0.0034 -4.8951 3  253.6948 47  58516 3032316 8      2415 9        C-13-H3C-13-H2C-13-N
  478464.6112  0.0305 -5.5035 3  991.7685127  58516 303632439      642342        C-13-H3C-13-H2C-13-N
  478464.6112  0.0305 -5.5035 3  991.7685127  58516 303632440      642341        C-13-H3C-13-H2C-13-N
  478530.7560  0.0500 -4.0521 3 1133.2664111 -58516 303553124      543123        C-13-H3C-13-H2C-13-N
  478530.7560  0.0500 -4.0521 3 1133.2664111 -58516 303553125      543124        C-13-H3C-13-H2C-13-N
  478602.5122  0.0168 -5.3027 3  869.2182117  58516 303582335      592238        C-13-H3C-13-H2C-13-N
  478602.5122  0.0168 -5.3027 3  869.2182117  58516 303582336      592237        C-13-H3C-13-H2C-13-N
  478619.4949  0.0033 -4.7704 3  315.6111 57  58516 303281711      291614        C-13-H3C-13-H2C-13-N
  478619.4949  0.0033 -4.7704 3  315.6111 57  58516 303281712      291613        C-13-H3C-13-H2C-13-N
  478717.0325  0.0084 -5.1272 3  755.3052107  58516 303532231      542134        C-13-H3C-13-H2C-13-N
  478717.0325  0.0084 -5.1272 3  755.3052107  58516 303532232      542133        C-13-H3C-13-H2C-13-N
  478759.1307  0.0033 -4.7451 3  386.2090 67  58516 303331815      341718        C-13-H3C-13-H2C-13-N
  478759.1307  0.0033 -4.7451 3  386.2090 67  58516 303331816      341717        C-13-H3C-13-H2C-13-N
  478794.3870  0.0300 -2.5033 3  466.1842111 -58516 30355 748      54 747        C-13-H3C-13-H2C-13-N
  478799.1865  0.0041 -4.9794 3  650.0392 97  58516 303482127      492030        C-13-H3C-13-H2C-13-N
  478799.1865  0.0041 -4.9794 3  650.0392 97  58516 303482128      492029        C-13-H3C-13-H2C-13-N
  478810.4350  0.0500 -4.1593 3 1178.4925111 -58516 303553223      543222        C-13-H3C-13-H2C-13-N
  478810.4350  0.0500 -4.1593 3 1178.4925111 -58516 303553224      543223        C-13-H3C-13-H2C-13-N
  478829.5260  0.0032 -4.7814 3  465.4837 77  58516 303381919      391822        C-13-H3C-13-H2C-13-N
  478829.5260  0.0032 -4.7814 3  465.4837 77  58516 303381920      391821        C-13-H3C-13-H2C-13-N
  478839.7838  0.0030 -4.8624 3  553.4294 87  58516 303432023      441926        C-13-H3C-13-H2C-13-N
  478839.7838  0.0030 -4.8624 3  553.4294 87  58516 303432024      441925        C-13-H3C-13-H2C-13-N
  478888.6802  0.0196 -5.7481 3 1576.2755203  58516 303A11290      A11191        C-13-H3C-13-H2C-13-N
  479027.5210  0.0500 -3.9828 3  513.7031119 -58516 30359 455      58 554        C-13-H3C-13-H2C-13-N
  479099.3630  0.0500 -4.2701 3 1225.0294111 -58516 303553322      543321        C-13-H3C-13-H2C-13-N
  479099.3630  0.0500 -4.2701 3 1225.0294111 -58516 303553323      543322        C-13-H3C-13-H2C-13-N
  479162.9599  0.0022 -4.9133 3  130.7764 61  58516 30330 426      29 227        C-13-H3C-13-H2C-13-N
  479221.8250  0.0300 -2.4695 3  455.9644113 -58516 30356 453      55 452        C-13-H3C-13-H2C-13-N
  479275.8582  0.0353 -5.9141 3 1060.9685173  58516 30386 383      86 384        C-13-H3C-13-H2C-13-N
  479276.5757  0.0353 -5.1260 3 1060.9685173  58516 30386 383      86 284        C-13-H3C-13-H2C-13-N
  479293.5926  0.0352 -5.1259 3 1060.9685173  58516 30386 483      86 384        C-13-H3C-13-H2C-13-N
  479294.3102  0.0352 -5.9141 3 1060.9685173  58516 30386 483      86 284        C-13-H3C-13-H2C-13-N
  479397.1210  0.0500 -4.3845 3 1272.8668111 -58516 303553421      543420        C-13-H3C-13-H2C-13-N
  479397.1210  0.0500 -4.3845 3 1272.8668111 -58516 303553422      543421        C-13-H3C-13-H2C-13-N
  479641.5268  0.0479 -5.7996 3 1533.7745205  58516 303A2 796      A2 697        C-13-H3C-13-H2C-13-N
  479703.7403  0.0092 -4.5026 3 1321.9938111  58516 303553520      543519        C-13-H3C-13-H2C-13-N
  479703.7403  0.0092 -4.5026 3 1321.9938111  58516 303553521      543520        C-13-H3C-13-H2C-13-N
  479829.3038  0.0350 -5.2897 3 1201.2575183  58516 30391 487      91 388        C-13-H3C-13-H2C-13-N
  479934.2914  0.0350 -5.2895 3 1201.2577183  58516 30391 587      91 488        C-13-H3C-13-H2C-13-N
  480018.8275  0.0141 -4.6245 3 1372.3996111  58516 303553619      543618        C-13-H3C-13-H2C-13-N
  480018.8275  0.0141 -4.6245 3 1372.3996111  58516 303553620      543619        C-13-H3C-13-H2C-13-N
  480170.3020  0.0184 -5.6909 3 1547.1666201  58516 303A01289      A01190        C-13-H3C-13-H2C-13-N
  480225.6163  0.0168 -5.5300 3 1461.6957195  58516 303971285      971186        C-13-H3C-13-H2C-13-N
  480310.8050  0.0300 -3.7205 3  439.9429111 -58516 30355 452      54 351        C-13-H3C-13-H2C-13-N
  480321.1700  0.0500 -4.2927 3  610.6099129 -58516 30364 559      63 658        C-13-H3C-13-H2C-13-N
  480342.3520  0.1000 -4.7503 3 1424.0733111 -58516 303553718      543717        C-13-H3C-13-H2C-13-N
  480342.3520  0.1000 -4.7503 3 1424.0733111 -58516 303553719      543718        C-13-H3C-13-H2C-13-N
  480419.8129  0.0020 -3.4905 3   93.5304 45  58516 30322 716      21 615        C-13-H3C-13-H2C-13-N
  480420.3560  0.0020 -3.4905 3   93.5304 45  58516 30322 715      21 616        C-13-H3C-13-H2C-13-N
  480456.3770  0.0300 -2.4667 3  455.7037113 -58516 30356 353      55 352        C-13-H3C-13-H2C-13-N
  480544.4886  0.0013 -3.6221 3  462.4618115  58516 30357 255      56 354        C-13-H3C-13-H2C-13-N
  480673.8627  0.0312 -4.8801 3 1477.0037111  58516 303553817      543816        C-13-H3C-13-H2C-13-N
  480673.8627  0.0312 -4.8801 3 1477.0037111  58516 303553818      543817        C-13-H3C-13-H2C-13-N
  480750.4388  0.0084 -5.9654 3  247.0759 83  58516 30341 437      41 240        C-13-H3C-13-H2C-13-N
  480960.6180  0.0300 -2.4715 3  462.4618115 -58516 30357 355      56 354        C-13-H3C-13-H2C-13-N
  480997.7900  0.0500 -4.2943 3  135.6817 63 -58516 30331 328      30 229        C-13-H3C-13-H2C-13-N
  481013.4730  0.0445 -5.0140 3 1531.1797111  58516 303553916      543915        C-13-H3C-13-H2C-13-N
  481013.4730  0.0445 -5.0140 3 1531.1797111  58516 303553917      543916        C-13-H3C-13-H2C-13-N
  481030.2544  0.0032 -5.3916 3   56.5661 41  58516 30320 417      19 118        C-13-H3C-13-H2C-13-N
  481056.8730  0.0300 -2.4713 3  462.4447115 -58516 30357 255      56 254        C-13-H3C-13-H2C-13-N
  481360.9353  0.0619 -5.1522 3 1586.5898111  58516 303554015      544014        C-13-H3C-13-H2C-13-N
  481360.9353  0.0619 -5.1522 3 1586.5898111  58516 303554016      544015        C-13-H3C-13-H2C-13-N
  481386.7690  0.0083 -5.2636 3  247.0546 83  58516 30341 437      41 140        C-13-H3C-13-H2C-13-N
  481447.1431  0.0173 -5.6345 3 1518.3435199  58516 303991288      991189        C-13-H3C-13-H2C-13-N
  481473.0060  0.0300 -3.6203 3  462.4447115 -58516 30357 355      56 254        C-13-H3C-13-H2C-13-N
  481543.7236  0.0310 -5.3798 3 1092.3535171  58516 30385 877      84 976        C-13-H3C-13-H2C-13-N
  481696.6510  0.0300 -2.4536 3  446.6874111 -58516 30355 451      54 450        C-13-H3C-13-H2C-13-N
  481716.1021  0.0844 -5.2950 3 1643.2227111  58516 303554114      544113        C-13-H3C-13-H2C-13-N
  481716.1021  0.0844 -5.2950 3 1643.2227111  58516 303554115      544114        C-13-H3C-13-H2C-13-N
  481807.1960  0.0300 -3.4601 3   75.7699 35 -58516 30317 810      16 7 9        C-13-H3C-13-H2C-13-N
  481807.1960  0.0300 -3.4601 3   75.7699 35 -58516 30317 8 9      16 710        C-13-H3C-13-H2C-13-N
  481847.8690  0.0500 -3.7515 3  471.9495115 -58516 30357 354      56 453        C-13-H3C-13-H2C-13-N
  482078.8332  0.1131 -5.4425 3 1701.0666111  58516 303554213      544212        C-13-H3C-13-H2C-13-N
  482078.8332  0.1131 -5.4425 3 1701.0666111  58516 303554214      544213        C-13-H3C-13-H2C-13-N
  482092.5165  0.0156 -5.4745 3 1433.7071193  58516 303961284      961185        C-13-H3C-13-H2C-13-N
  482128.8880  0.0500 -3.6757 3  184.8111 71 -58516 30335 531      34 430        C-13-H3C-13-H2C-13-N
  482229.4412  0.0040 -5.3603 3  346.5488 95  58516 30347 741      47 542        C-13-H3C-13-H2C-13-N
  482448.9952  0.1493 -5.5951 3 1760.1100111  58516 303554312      544311        C-13-H3C-13-H2C-13-N
  482448.9952  0.1493 -5.5951 3 1760.1100111  58516 303554313      544312        C-13-H3C-13-H2C-13-N
  482530.0190  0.0300 -3.5402 3  467.7869117 -58516 30358 157      57 256        C-13-H3C-13-H2C-13-N
  482543.5990  0.0300 -2.4713 3  467.7869117 -58516 30358 257      57 256        C-13-H3C-13-H2C-13-N
  482547.1480  0.0300 -2.4713 3  467.7864117 -58516 30358 157      57 156        C-13-H3C-13-H2C-13-N
  482560.7270  0.0300 -3.5402 3  467.7864117 -58516 30358 257      57 156        C-13-H3C-13-H2C-13-N
  482590.2520  0.0300 -2.4767 3  457.6101111 -58516 30355 649      54 648        C-13-H3C-13-H2C-13-N
  482622.6360  0.0476 -5.8315 3  951.0963165  58516 30382 280      82 281        C-13-H3C-13-H2C-13-N
  482622.6816  0.0476 -5.0691 3  951.0963165  58516 30382 280      82 181        C-13-H3C-13-H2C-13-N
  482624.3968  0.0476 -5.0691 3  951.0963165  58516 30382 380      82 281        C-13-H3C-13-H2C-13-N
  482624.4424  0.0476 -5.8315 3  951.0963165  58516 30382 380      82 181        C-13-H3C-13-H2C-13-N
  482713.8030  0.0163 -5.5787 3 1489.8064197  58516 303981287      981188        C-13-H3C-13-H2C-13-N
  482826.4610  0.1944 -5.7533 3 1820.3410111  58516 303554411      544410        C-13-H3C-13-H2C-13-N
  482826.4610  0.1944 -5.7533 3 1820.3410111  58516 303554412      544411        C-13-H3C-13-H2C-13-N
  482868.8250  0.0500 -3.4374 3   66.7256 25 -58516 30312 9 3      11 8 4        C-13-H3C-13-H2C-13-N
  482868.8250  0.0500 -3.4374 3   66.7256 25 -58516 30312 9 4      11 8 3        C-13-H3C-13-H2C-13-N
  483156.5336  0.0047 -6.0588 3   69.2402 43  58516 30321 517      21 220        C-13-H3C-13-H2C-13-N
  483211.1099  0.2501 -5.9175 3 1881.7476111  58516 303554510      5445 9        C-13-H3C-13-H2C-13-N
  483211.1099  0.2501 -5.9175 3 1881.7476111  58516 303554511      544510        C-13-H3C-13-H2C-13-N
  483793.3230  0.0890 -5.8895 3  846.3256157  58516 30378 177      78 178        C-13-H3C-13-H2C-13-N
  483793.3245  0.0890 -5.1511 3  846.3256157  58516 30378 177      78 078        C-13-H3C-13-H2C-13-N
  483793.4416  0.0890 -5.1511 3  846.3256157  58516 30378 277      78 178        C-13-H3C-13-H2C-13-N
  483793.4431  0.0890 -5.8895 3  846.3256157  58516 30378 277      78 078        C-13-H3C-13-H2C-13-N
  483838.3747  0.0145 -5.4198 3 1406.0089191  58516 303951283      951184        C-13-H3C-13-H2C-13-N
  483965.5192  0.0154 -5.5235 3 1461.5554195  58516 303971286      971187        C-13-H3C-13-H2C-13-N
  483981.6798  0.0053 -5.4358 3  380.1326101  58516 30350 644      50 447        C-13-H3C-13-H2C-13-N
  483981.8252  0.0371 -5.5472 3 1376.5154195  58516 30397 592      97 493        C-13-H3C-13-H2C-13-N
  484186.6874  0.0032 -3.4757 3  472.0283119  58516 30359 059      58 158        C-13-H3C-13-H2C-13-N
  484186.8990  0.0300 -2.4689 3  472.0283119 -58516 30359 159      58 158        C-13-H3C-13-H2C-13-N
  484186.8990  0.0300 -2.4689 3  472.0283119 -58516 30359 059      58 058        C-13-H3C-13-H2C-13-N
  484187.1090  0.0032 -3.4757 3  472.0283119  58516 30359 159      58 058        C-13-H3C-13-H2C-13-N
  484300.0190  0.0300 -2.7651 3  590.2408113 -58516 303561442      551441        C-13-H3C-13-H2C-13-N
  484300.0190  0.0300 -2.7651 3  590.2408113 -58516 303561443      551442        C-13-H3C-13-H2C-13-N
  484306.2530  0.0500 -2.8141 3  611.7349113 -58516 303561541      551540        C-13-H3C-13-H2C-13-N
  484306.2530  0.0500 -2.8141 3  611.7349113 -58516 303561542      551541        C-13-H3C-13-H2C-13-N
  484319.7330  0.0300 -2.4789 3  464.4047113 -58516 30356 552      55 551        C-13-H3C-13-H2C-13-N
  484337.4440  0.0300 -2.7193 3  570.2228113 -58516 303561343      551342        C-13-H3C-13-H2C-13-N
  484337.4440  0.0300 -2.7193 3  570.2228113 -58516 303561344      551343        C-13-H3C-13-H2C-13-N
  484347.5940  0.0300 -2.8665 3  634.6954113 -58516 303561640      551639        C-13-H3C-13-H2C-13-N
  484347.5940  0.0300 -2.8665 3  634.6954113 -58516 303561641      551640        C-13-H3C-13-H2C-13-N
  484418.0690  0.0300 -2.9223 3  659.1134113 -58516 303561739      551738        C-13-H3C-13-H2C-13-N
  484418.0690  0.0300 -2.9223 3  659.1134113 -58516 303561740      551739        C-13-H3C-13-H2C-13-N
  484426.1207  0.0369 -5.5464 3 1376.5166195  58516 30397 692      97 593        C-13-H3C-13-H2C-13-N
  484431.0610  0.0300 -2.6769 3  551.6918113 -58516 303561245      551244        C-13-H3C-13-H2C-13-N
  484431.0610  0.0300 -2.6769 3  551.6918113 -58516 303561244      551243        C-13-H3C-13-H2C-13-N
  484513.2380  0.0300 -2.9814 3  684.9805113 -58516 303561838      551837        C-13-H3C-13-H2C-13-N
  484513.2380  0.0300 -2.9814 3  684.9805113 -58516 303561839      551838        C-13-H3C-13-H2C-13-N
  484590.7344  0.0511 -5.8510 3 1562.7836207  58516 303A3 697      A3 598        C-13-H3C-13-H2C-13-N
  484599.9100  0.0300 -2.6378 3  534.6612113 -58516 303561146      551145        C-13-H3C-13-H2C-13-N
  484599.9100  0.0300 -2.6378 3  534.6612113 -58516 303561145      551144        C-13-H3C-13-H2C-13-N
  484629.8760  0.0300 -3.0438 3  712.2883113 -58516 303561937      551936        C-13-H3C-13-H2C-13-N
  484629.8760  0.0300 -3.0438 3  712.2883113 -58516 303561938      551937        C-13-H3C-13-H2C-13-N
  484765.6160  0.0300 -3.1096 3  741.0287113 -58516 303562036      552035        C-13-H3C-13-H2C-13-N
  484765.6160  0.0300 -3.1096 3  741.0287113 -58516 303562037      552036        C-13-H3C-13-H2C-13-N
  484874.4129  0.0011 -2.6020 3  519.1488113  58516 303561047      551046        C-13-H3C-13-H2C-13-N
  484874.8672  0.0011 -2.6020 3  519.1489113  58516 303561046      551045        C-13-H3C-13-H2C-13-N
  484918.4850  0.0300 -3.1787 3  771.1932113 -58516 303562135      552134        C-13-H3C-13-H2C-13-N
  484918.4850  0.0300 -3.1787 3  771.1932113 -58516 303562136      552135        C-13-H3C-13-H2C-13-N
  485086.9900  0.0300 -3.2511 3  802.7735113 -58516 303562234      552233        C-13-H3C-13-H2C-13-N
  485086.9900  0.0300 -3.2511 3  802.7735113 -58516 303562235      552234        C-13-H3C-13-H2C-13-N
  485198.1411  0.0146 -5.4691 3 1433.5910193  58516 303961285      961186        C-13-H3C-13-H2C-13-N
  485269.9710  0.0300 -3.3270 3  835.7610113 -58516 303562333      552332        C-13-H3C-13-H2C-13-N
  485269.9710  0.0300 -3.3270 3  835.7610113 -58516 303562334      552333        C-13-H3C-13-H2C-13-N
  485304.2350  0.0300 -2.5695 3  505.1802113 -58516 30356 948      55 947        C-13-H3C-13-H2C-13-N
  485312.2930  0.0300 -2.5695 3  505.1809113 -58516 30356 947      55 946        C-13-H3C-13-H2C-13-N
  485466.4490  0.0300 -3.4061 3  870.1468113 -58516 303562432      552431        C-13-H3C-13-H2C-13-N
  485466.4490  0.0300 -3.4061 3  870.1468113 -58516 303562433      552432        C-13-H3C-13-H2C-13-N
  485473.6484  0.0135 -5.3659 3 1378.6008189  58516 303941282      941183        C-13-H3C-13-H2C-13-N
  485662.1459  0.0093 -5.8971 3  121.5701 59  58516 30329 426      29 129        C-13-H3C-13-H2C-13-N
  485675.6590  0.0500 -3.4887 3  905.9222113 -58516 303562531      552530        C-13-H3C-13-H2C-13-N
  485675.6590  0.0500 -3.4887 3  905.9222113 -58516 303562532      552531        C-13-H3C-13-H2C-13-N
  485677.2572  0.0371 -5.9524 3 1085.0812175  58516 30387 384      87 385        C-13-H3C-13-H2C-13-N
  485677.8304  0.0371 -5.1647 3 1085.0812175  58516 30387 384      87 285        C-13-H3C-13-H2C-13-N
  485691.6357  0.0371 -5.1646 3 1085.0812175  58516 30387 484      87 385        C-13-H3C-13-H2C-13-N
  485692.2088  0.0371 -5.9523 3 1085.0812175  58516 30387 484      87 285        C-13-H3C-13-H2C-13-N
  485737.9908  0.0036 -5.4481 3   75.5131 47  58516 30323 420      22 221        C-13-H3C-13-H2C-13-N
  485807.8967  0.0047 -5.9815 3   75.5131 45  58516 30322 518      22 221        C-13-H3C-13-H2C-13-N
  485896.9220  0.0300 -3.5746 3  943.0779113 -58516 303562630      552629        C-13-H3C-13-H2C-13-N
  485896.9220  0.0300 -3.5746 3  943.0779113 -58516 303562631      552630        C-13-H3C-13-H2C-13-N
  485950.4610  0.0500 -2.5401 3  492.7934113 -58516 30356 849      55 848        C-13-H3C-13-H2C-13-N
  485995.9824  0.0035 -5.9924 3   37.0693 31  58516 30315 510      14 311        C-13-H3C-13-H2C-13-N
  486018.8190  0.0300 -2.4565 3  451.6762111 -58516 30355 550      54 549        C-13-H3C-13-H2C-13-N
  486057.8920  0.0300 -2.5400 3  492.8050113 -58516 30356 848      55 847        C-13-H3C-13-H2C-13-N
  486129.6640  0.0300 -3.6639 3  981.6046113 -58516 303562729      552728        C-13-H3C-13-H2C-13-N
  486129.6640  0.0300 -3.6639 3  981.6046113 -58516 303562730      552729        C-13-H3C-13-H2C-13-N
  486146.9854  0.0082 -5.6434 3  670.8878133  58516 30366 859      66 660        C-13-H3C-13-H2C-13-N
  486227.3747  0.0505 -5.8483 3 1562.7889207  58516 303A3 797      A3 698        C-13-H3C-13-H2C-13-N
  486280.0220  0.0500 -3.5394 3  127.8932 57 -58516 30328 623      27 522        C-13-H3C-13-H2C-13-N
  486296.3021  0.0365 -5.3315 3 1226.9187185  58516 30392 488      92 389        C-13-H3C-13-H2C-13-N
  486373.4360  0.0500 -3.7566 3 1021.4928113 -58516 303562828      552827        C-13-H3C-13-H2C-13-N
  486373.4360  0.0500 -3.7566 3 1021.4928113 -58516 303562829      552828        C-13-H3C-13-H2C-13-N
  486382.7185  0.0365 -5.3314 3 1226.9189185  58516 30392 588      92 489        C-13-H3C-13-H2C-13-N
  486408.0995  0.0138 -5.4153 3 1405.9131191  58516 303951284      951185        C-13-H3C-13-H2C-13-N
  486437.7068  0.0809 -5.9285 3 1241.3829145  58516 303722646      732549        C-13-H3C-13-H2C-13-N
  486437.7068  0.0809 -5.9285 3 1241.3829145  58516 303722647      732548        C-13-H3C-13-H2C-13-N
  486564.6590  0.0500 -3.5390 3  127.8843 57 -58516 30328 622      27 523        C-13-H3C-13-H2C-13-N
  486627.8400  0.0300 -3.8527 3 1062.7328113 -58516 303562927      552926        C-13-H3C-13-H2C-13-N
  486627.8400  0.0300 -3.8527 3 1062.7328113 -58516 303562928      552927        C-13-H3C-13-H2C-13-N
  486641.8763  0.0512 -5.6852 3 1103.0273135  58516 303672542      682445        C-13-H3C-13-H2C-13-N
  486641.8763  0.0512 -5.6852 3 1103.0273135  58516 303672543      682444        C-13-H3C-13-H2C-13-N
  486708.3630  0.0300 -2.4932 3  472.7556113 -58516 30356 651      55 650        C-13-H3C-13-H2C-13-N
  486711.6320  0.0300 -2.5143 3  482.0231113 -58516 30356 750      55 749        C-13-H3C-13-H2C-13-N
  486715.6148  0.0035 -5.4111 3  194.9735 35  58516 3031715 2      1814 5        C-13-H3C-13-H2C-13-N
  486715.6148  0.0035 -5.4111 3  194.9735 35  58516 3031715 3      1814 4        C-13-H3C-13-H2C-13-N
  486828.1328  0.0069 -5.0178 3  135.4872 63  58516 30331 328      30 129        C-13-H3C-13-H2C-13-N
  486836.8118  0.0305 -5.4649 3  973.2880125  58516 303622438      632341        C-13-H3C-13-H2C-13-N
  486836.8118  0.0305 -5.4649 3  973.2880125  58516 303622439      632340        C-13-H3C-13-H2C-13-N
  486882.9993  0.0035 -5.9918 3   37.0397 31  58516 30315 511      14 312        C-13-H3C-13-H2C-13-N
  486892.4510  0.0500 -3.9522 3 1105.3147113 -58516 303563026      553025        C-13-H3C-13-H2C-13-N
  486892.4510  0.0500 -3.9522 3 1105.3147113 -58516 303563027      553026        C-13-H3C-13-H2C-13-N
  486977.0180  0.0500 -3.6514 3  164.7095 67 -58516 30333 528      32 429        C-13-H3C-13-H2C-13-N
  487003.4793  0.0035 -4.9561 3  246.7589 45  58516 3032216 6      2315 9        C-13-H3C-13-H2C-13-N
  487003.4793  0.0035 -4.9561 3  246.7589 45  58516 3032216 7      2315 8        C-13-H3C-13-H2C-13-N
  487007.7968  0.0126 -5.3129 3 1351.4825187  58516 303931281      931182        C-13-H3C-13-H2C-13-N
  487014.0802  0.0168 -5.2689 3  852.1767115  58516 303572334      582237        C-13-H3C-13-H2C-13-N
  487014.0802  0.0168 -5.2689 3  852.1767115  58516 303572335      582236        C-13-H3C-13-H2C-13-N
  487017.4680  0.0500 -3.6832 3  195.0853 73 -58516 30336 532      35 431        C-13-H3C-13-H2C-13-N
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  487164.9174  0.0083 -5.0987 3  739.7042105  58516 303522230      532133        C-13-H3C-13-H2C-13-N
  487164.9174  0.0083 -5.0987 3  739.7042105  58516 303522231      532132        C-13-H3C-13-H2C-13-N
  487166.9950  0.0500 -4.0552 3 1149.2285113 -58516 303563125      553124        C-13-H3C-13-H2C-13-N
  487166.9950  0.0500 -4.0552 3 1149.2285113 -58516 303563126      553125        C-13-H3C-13-H2C-13-N
  487202.8022  0.0034 -4.7950 3  307.2296 55  58516 303271710      281613        C-13-H3C-13-H2C-13-N
  487202.8022  0.0034 -4.7950 3  307.2296 55  58516 303271711      281612        C-13-H3C-13-H2C-13-N
  487280.2979  0.0040 -4.9569 3  635.8803 95  58516 303472126      482029        C-13-H3C-13-H2C-13-N
  487280.2979  0.0040 -4.9569 3  635.8803 95  58516 303472127      482028        C-13-H3C-13-H2C-13-N
  487321.3869  0.0034 -4.7508 3  376.3821 65  58516 303321814      331717        C-13-H3C-13-H2C-13-N
  487321.3869  0.0034 -4.7508 3  376.3821 65  58516 303321815      331716        C-13-H3C-13-H2C-13-N
  487351.0162  0.0030 -4.8470 3  540.7136 85  58516 303422022      431925        C-13-H3C-13-H2C-13-N
  487351.0162  0.0030 -4.8470 3  540.7136 85  58516 303422023      431924        C-13-H3C-13-H2C-13-N
  487367.7894  0.0032 -4.7749 3  454.2120 75  58516 303371918      381821        C-13-H3C-13-H2C-13-N
  487367.7894  0.0032 -4.7749 3  454.2120 75  58516 303371919      381820        C-13-H3C-13-H2C-13-N
  487373.0050  0.0300 -2.4807 3  471.9495115 -58516 30357 454      56 453        C-13-H3C-13-H2C-13-N
  487451.1610  0.0300 -4.1617 3 1194.4639113 -58516 303563224      553223        C-13-H3C-13-H2C-13-N
  487451.1610  0.0300 -4.1617 3 1194.4639113 -58516 303563225      553224        C-13-H3C-13-H2C-13-N
  487490.2778  0.0022 -4.8731 3  139.5559 63  58516 30331 427      30 228        C-13-H3C-13-H2C-13-N
  487492.5196  0.0446 -5.7966 3 1310.0271187  58516 30393 984      921083        C-13-H3C-13-H2C-13-N
  487592.3707  0.0130 -5.3622 3 1378.5221189  58516 303941283      941184        C-13-H3C-13-H2C-13-N
  487668.7921  0.0043 -3.8989 3  168.5442 69  58516 30334 430      33 331        C-13-H3C-13-H2C-13-N
  487703.0210  0.0300 -2.5128 3  482.1550113 -58516 30356 749      55 748        C-13-H3C-13-H2C-13-N
  487744.7030  0.0300 -4.2717 3 1241.0105113 -58516 303563323      553322        C-13-H3C-13-H2C-13-N
  487744.7030  0.0300 -4.2717 3 1241.0105113 -58516 303563324      553323        C-13-H3C-13-H2C-13-N
  488025.8000  0.0038 -5.3545 3  332.7437 93  58516 30346 740      46 541        C-13-H3C-13-H2C-13-N
  488047.3690  0.0500 -4.3853 3 1288.8577113 -58516 303563422      553421        C-13-H3C-13-H2C-13-N
  488047.3690  0.0500 -4.3853 3 1288.8577113 -58516 303563423      553422        C-13-H3C-13-H2C-13-N
  488344.3456  0.0066 -5.6586 3  330.2594 95  58516 30347 542      47 345        C-13-H3C-13-H2C-13-N
  488358.9513  0.0091 -4.5025 3 1337.9950113  58516 303563521      553520        C-13-H3C-13-H2C-13-N
  488358.9513  0.0091 -4.5025 3 1337.9950113  58516 303563522      553521        C-13-H3C-13-H2C-13-N
  488428.7150  0.0300 -2.4783 3  471.7300115 -58516 30357 354      56 353        C-13-H3C-13-H2C-13-N
  488449.3402  0.0118 -5.2606 3 1324.6537185  58516 303921280      921181        C-13-H3C-13-H2C-13-N
  488679.2930  0.0500 -4.6234 3 1388.4113113 -58516 303563620      553619        C-13-H3C-13-H2C-13-N
  488679.2930  0.0500 -4.6234 3 1388.4113113 -58516 303563621      553620        C-13-H3C-13-H2C-13-N
  488726.7030  0.0500 -3.6296 3  478.5049117 -58516 30358 256      57 355        C-13-H3C-13-H2C-13-N
  488748.4380  0.0123 -5.3099 3 1351.4181187  58516 303931282      931183        C-13-H3C-13-H2C-13-N
  488808.7812  0.0048 -5.9110 3   82.0647 47  58516 30323 519      23 222        C-13-H3C-13-H2C-13-N
  488994.5787  0.0499 -5.8675 3  973.9254167  58516 30383 281      83 282        C-13-H3C-13-H2C-13-N
  488994.6147  0.0499 -5.1052 3  973.9254167  58516 30383 281      83 182        C-13-H3C-13-H2C-13-N
  488995.9859  0.0499 -5.1052 3  973.9254167  58516 30383 381      83 282        C-13-H3C-13-H2C-13-N
  488996.0218  0.0499 -5.8675 3  973.9254167  58516 30383 381      83 182        C-13-H3C-13-H2C-13-N
  488997.2577  0.0031 -5.2774 3   62.3776 43  58516 30321 418      20 119        C-13-H3C-13-H2C-13-N
  489008.0261  0.0214 -4.7481 3 1440.0958113  58516 303563719      553718        C-13-H3C-13-H2C-13-N
  489008.0261  0.0214 -4.7481 3 1440.0958113  58516 303563720      553719        C-13-H3C-13-H2C-13-N
  489016.2820  0.0019 -3.4797 3   99.8868 47  58516 30323 717      22 616        C-13-H3C-13-H2C-13-N
  489017.2307  0.0019 -3.4797 3   99.8868 47  58516 30323 716      22 617        C-13-H3C-13-H2C-13-N
  489064.2300  0.0300 -2.4831 3  478.5049117 -58516 30358 356      57 355        C-13-H3C-13-H2C-13-N
  489142.8280  0.0300 -2.4829 3  478.4910117 -58516 30358 256      57 255        C-13-H3C-13-H2C-13-N
  489345.1514  0.0315 -4.8766 3 1493.0373113  58516 303563818      553817        C-13-H3C-13-H2C-13-N
  489345.1514  0.0315 -4.8766 3 1493.0373113  58516 303563819      553818        C-13-H3C-13-H2C-13-N
  489480.4020  0.0300 -3.6282 3  478.4910117 -58516 30358 356      57 255        C-13-H3C-13-H2C-13-N
  489690.4389  0.0449 -5.0091 3 1547.2246113  58516 303563917      553916        C-13-H3C-13-H2C-13-N
  489690.4389  0.0449 -5.0091 3 1547.2246113  58516 303563918      553917        C-13-H3C-13-H2C-13-N
  489701.5660  0.0300 -2.4652 3  462.7550113 -58516 30356 452      55 451        C-13-H3C-13-H2C-13-N
  489805.9269  0.0111 -5.2092 3 1298.1141183  58516 303911279      911180        C-13-H3C-13-H2C-13-N
  489874.2509  0.0116 -5.2582 3 1324.6011185  58516 303921281      921182        C-13-H3C-13-H2C-13-N
  490043.7284  0.0626 -5.1457 3 1602.6463113  58516 303564016      554015        C-13-H3C-13-H2C-13-N
  490043.7284  0.0626 -5.1457 3 1602.6463113  58516 303564017      554016        C-13-H3C-13-H2C-13-N
  490167.6143  0.0932 -5.9232 3  867.8686159  58516 30379 178      79 179        C-13-H3C-13-H2C-13-N
  490167.6154  0.0932 -5.1846 3  867.8686159  58516 30379 178      79 079        C-13-H3C-13-H2C-13-N
  490167.7077  0.0932 -5.1846 3  867.8686159  58516 30379 278      79 179        C-13-H3C-13-H2C-13-N
  490167.7088  0.0932 -5.9232 3  867.8686159  58516 30379 278      79 079        C-13-H3C-13-H2C-13-N
  490404.8676  0.0855 -5.2866 3 1659.2910113  58516 303564115      554114        C-13-H3C-13-H2C-13-N
  490404.8676  0.0855 -5.2866 3 1659.2910113  58516 303564116      554115        C-13-H3C-13-H2C-13-N
  490460.4970  0.0300 -3.4463 3   80.6781 37 -58516 30318 811      17 710        C-13-H3C-13-H2C-13-N
  490460.4970  0.0300 -3.4463 3   80.6781 37 -58516 30318 810      17 711        C-13-H3C-13-H2C-13-N
  490499.0450  0.0068 -5.6360 3   84.2480 51  58516 30325 323      24 124        C-13-H3C-13-H2C-13-N
  490567.1453  0.0384 -5.5927 3 1403.9881197  58516 30398 593      98 494        C-13-H3C-13-H2C-13-N
  490636.8450  0.0300 -3.5504 3  483.8829119 -58516 30359 158      58 257        C-13-H3C-13-H2C-13-N
  490647.5960  0.0300 -2.4832 3  483.8829119 -58516 30359 258      58 257        C-13-H3C-13-H2C-13-N
  490650.4280  0.0300 -2.4832 3  483.8824119 -58516 30359 158      58 157        C-13-H3C-13-H2C-13-N
  490661.1600  0.0500 -3.5504 3  483.8824119 -58516 30359 258      58 157        C-13-H3C-13-H2C-13-N
  490767.8529  0.0197 -4.9952 3  916.5076157  58516 30378 771      77 870        C-13-H3C-13-H2C-13-N
  490773.7115  0.1146 -5.4319 3 1717.1471113  58516 303564214      554213        C-13-H3C-13-H2C-13-N
  490773.7115  0.1146 -5.4319 3 1717.1471113  58516 303564215      554214        C-13-H3C-13-H2C-13-N
  490886.8890  0.0300 -3.7536 3  488.2065117 -58516 30358 355      57 454        C-13-H3C-13-H2C-13-N
  490938.0382  0.0382 -5.5921 3 1403.9890197  58516 30398 693      98 594        C-13-H3C-13-H2C-13-N
  490968.1843  0.0110 -5.2072 3 1298.0713183  58516 303911280      911181        C-13-H3C-13-H2C-13-N
  491084.4048  0.0104 -5.1585 3 1271.8635181  58516 303901278      901179        C-13-H3C-13-H2C-13-N
  491126.7890  0.0300 -3.9734 3  530.6895121 -58516 30360 456      59 555        C-13-H3C-13-H2C-13-N
  491150.1226  0.1513 -5.5821 3 1776.2028113  58516 303564313      554312        C-13-H3C-13-H2C-13-N
  491150.1226  0.1513 -5.5821 3 1776.2028113  58516 303564314      554313        C-13-H3C-13-H2C-13-N
  491417.7837  0.0538 -5.8999 3 1592.0636209  58516 303A4 698      A4 599        C-13-H3C-13-H2C-13-N
  491436.9741  0.0065 -4.9672 3  330.1562 95  58516 30347 542      47 245        C-13-H3C-13-H2C-13-N
  491458.7636  0.0067 -4.9556 3   84.2160 51  58516 30325 323      24 024        C-13-H3C-13-H2C-13-N
  491488.1240  0.0300 -3.6918 3  205.6644 75 -58516 30337 533      36 432        C-13-H3C-13-H2C-13-N
  491533.9698  0.1971 -5.7373 3 1836.4463113  58516 303564412      554411        C-13-H3C-13-H2C-13-N
  491533.9698  0.1971 -5.7373 3 1836.4463113  58516 303564413      554412        C-13-H3C-13-H2C-13-N
  491536.3700  0.0300 -3.4235 3   70.1896 27 -58516 30313 9 4      12 8 5        C-13-H3C-13-H2C-13-N
  491536.3700  0.0300 -3.4235 3   70.1896 27 -58516 30313 9 5      12 8 4        C-13-H3C-13-H2C-13-N
  491682.0014  0.0045 -4.8534 3  323.3871 93  58516 30346 640      46 343        C-13-H3C-13-H2C-13-N
  491708.4869  0.0056 -5.4607 3  394.7514103  58516 30351 645      51 448        C-13-H3C-13-H2C-13-N
  491782.3970  0.0044 -4.8736 3  310.0108 91  58516 30345 639      45 342        C-13-H3C-13-H2C-13-N
  491785.8240  0.0300 -2.4861 3  473.7076113 -58516 30356 650      55 649        C-13-H3C-13-H2C-13-N
  491925.1286  0.2537 -5.8980 3 1897.8658113  58516 303564511      554510        C-13-H3C-13-H2C-13-N
  491925.1286  0.2537 -5.8980 3 1897.8658113  58516 303564512      554511        C-13-H3C-13-H2C-13-N
  491957.9247  0.0100 -4.6280 3  755.9265143  58516 30371 665      70 764        C-13-H3C-13-H2C-13-N
  492028.9962  0.0104 -5.1569 3 1271.8289181  58516 303901279      901180        C-13-H3C-13-H2C-13-N
  492069.5076  0.0389 -5.9914 3 1109.4614177  58516 30388 385      88 386        C-13-H3C-13-H2C-13-N
  492069.9653  0.0389 -5.2041 3 1109.4614177  58516 30388 385      88 286        C-13-H3C-13-H2C-13-N
  492081.1612  0.0389 -5.2041 3 1109.4614177  58516 30388 485      88 386        C-13-H3C-13-H2C-13-N
  492081.6189  0.0389 -5.9914 3 1109.4614177  58516 30388 485      88 286        C-13-H3C-13-H2C-13-N
  492183.0935  0.0049 -5.8468 3   88.8945 49  58516 30324 520      24 223        C-13-H3C-13-H2C-13-N
  492290.8932  0.0098 -5.1087 3 1245.9018179  58516 303891277      891178        C-13-H3C-13-H2C-13-N
  492292.6708  0.0033 -3.4874 3  488.1791121  58516 30360 060      59 159        C-13-H3C-13-H2C-13-N
  492292.8390  0.0300 -2.4811 3  488.1791121 -58516 30360 160      59 159        C-13-H3C-13-H2C-13-N
  492292.8390  0.0300 -2.4811 3  488.1791121 -58516 30360 060      59 059        C-13-H3C-13-H2C-13-N
  492292.9979  0.0033 -3.4874 3  488.1791121  58516 30360 160      59 059        C-13-H3C-13-H2C-13-N
  492548.2791  0.0047 -4.8385 3  337.0299 95  58516 30347 641      47 344        C-13-H3C-13-H2C-13-N
  492650.7340  0.0300 -2.4902 3  480.5599115 -58516 30357 553      56 552        C-13-H3C-13-H2C-13-N
  492748.5842  0.0380 -5.3741 3 1252.8466187  58516 30393 489      93 390        C-13-H3C-13-H2C-13-N
  492785.1222  0.0043 -4.8989 3  296.9019 89  58516 30344 638      44 341        C-13-H3C-13-H2C-13-N
  492803.9544  0.0533 -5.8976 3 1592.0680209  58516 303A4 798      A4 699        C-13-H3C-13-H2C-13-N
  492819.6759  0.0380 -5.3740 3 1252.8467187  58516 30393 589      93 490        C-13-H3C-13-H2C-13-N
  492913.2550  0.0300 -2.7750 3  606.3953115 -58516 303571443      561442        C-13-H3C-13-H2C-13-N
  492913.2550  0.0300 -2.7750 3  606.3953115 -58516 303571444      561443        C-13-H3C-13-H2C-13-N
  492914.7010  0.0500 -2.8239 3  627.8896115 -58516 303571542      561541        C-13-H3C-13-H2C-13-N
  492914.7010  0.0500 -2.8239 3  627.8896115 -58516 303571543      561542        C-13-H3C-13-H2C-13-N
  492952.7360  0.0300 -2.8762 3  650.8515115 -58516 303571641      561640        C-13-H3C-13-H2C-13-N
  492952.7360  0.0300 -2.8762 3  650.8515115 -58516 303571642      561641        C-13-H3C-13-H2C-13-N
  492957.5700  0.0300 -2.7294 3  586.3785115 -58516 303571344      561343        C-13-H3C-13-H2C-13-N
  492957.5700  0.0300 -2.7294 3  586.3785115 -58516 303571345      561344        C-13-H3C-13-H2C-13-N
  493021.1090  0.0300 -2.9317 3  675.2718115 -58516 303571740      561739        C-13-H3C-13-H2C-13-N
  493021.1090  0.0300 -2.9317 3  675.2718115 -58516 303571741      561740        C-13-H3C-13-H2C-13-N
  493055.7874  0.0098 -5.1073 3 1245.8738179  58516 303891278      891179        C-13-H3C-13-H2C-13-N
  493060.7810  0.0300 -2.6871 3  567.8507115 -58516 303571246      561245        C-13-H3C-13-H2C-13-N
  493060.7810  0.0300 -2.6871 3  567.8507115 -58516 303571245      561244        C-13-H3C-13-H2C-13-N
  493115.1880  0.0300 -2.9906 3  701.1421115 -58516 303571839      561838        C-13-H3C-13-H2C-13-N
  493115.1880  0.0300 -2.9906 3  701.1421115 -58516 303571840      561839        C-13-H3C-13-H2C-13-N
  493219.6859  0.0101 -4.8569 3  105.8236 57  58516 30328 226      27 127        C-13-H3C-13-H2C-13-N
  493231.5450  0.0500 -3.0528 3  728.4538115 -58516 303571938      561937        C-13-H3C-13-H2C-13-N
  493231.5450  0.0500 -3.0528 3  728.4538115 -58516 303571939      561938        C-13-H3C-13-H2C-13-N
  493243.1380  0.0300 -2.6482 3  550.8258115 -58516 303571147      561146        C-13-H3C-13-H2C-13-N
  493243.1380  0.0300 -2.6482 3  550.8258115 -58516 303571146      561145        C-13-H3C-13-H2C-13-N
  493367.6490  0.0300 -3.1184 3  757.1987115 -58516 303572037      562036        C-13-H3C-13-H2C-13-N
  493367.6490  0.0300 -3.1184 3  757.1987115 -58516 303572038      562037        C-13-H3C-13-H2C-13-N
  493381.5528  0.0037 -5.3499 3  319.2448 91  58516 30345 739      45 540        C-13-H3C-13-H2C-13-N
  493430.8543  0.0092 -5.0595 3 1220.2287177  58516 303881276      881177        C-13-H3C-13-H2C-13-N
  493521.4470  0.0300 -3.1872 3  787.3684115 -58516 303572136      562135        C-13-H3C-13-H2C-13-N
  493521.4470  0.0300 -3.1872 3  787.3684115 -58516 303572137      562136        C-13-H3C-13-H2C-13-N
  493536.9138  0.0011 -2.6125 3  535.3225115  58516 303571048      561047        C-13-H3C-13-H2C-13-N
  493537.5416  0.0011 -2.6125 3  535.3225115  58516 303571047      561046        C-13-H3C-13-H2C-13-N
  493691.4060  0.0300 -3.2594 3  818.9543115 -58516 303572235      562234        C-13-H3C-13-H2C-13-N
  493691.4060  0.0300 -3.2594 3  818.9543115 -58516 303572236      562235        C-13-H3C-13-H2C-13-N
  493708.7226  0.0100 -5.5598 3  105.8073 57  58516 30328 226      27 027        C-13-H3C-13-H2C-13-N
  493876.2710  0.0300 -3.3350 3  851.9478115 -58516 303572334      562333        C-13-H3C-13-H2C-13-N
  493876.2710  0.0300 -3.3350 3  851.9478115 -58516 303572335      562334        C-13-H3C-13-H2C-13-N
  493953.8230  0.0300 -3.7291 3  471.7300115 -58516 30357 454      56 353        C-13-H3C-13-H2C-13-N
  493994.4940  0.0300 -2.5800 3  521.3682115 -58516 30357 949      56 948        C-13-H3C-13-H2C-13-N
  494005.2130  0.0300 -2.5800 3  521.3692115 -58516 30357 948      56 947        C-13-H3C-13-H2C-13-N
  494047.9624  0.0092 -5.0585 3 1220.2062177  58516 303881277      881178        C-13-H3C-13-H2C-13-N
  494075.0380  0.0500 -3.4138 3  886.3403115 -58516 303572433      562432        C-13-H3C-13-H2C-13-N
  494075.0380  0.0500 -3.4138 3  886.3403115 -58516 303572434      562433        C-13-H3C-13-H2C-13-N
  494121.4041  0.0034 -5.9106 3   41.4199 33  58516 30316 511      15 312        C-13-H3C-13-H2C-13-N
  494286.8460  0.0500 -3.4960 3  922.1226115 -58516 303572532      562531        C-13-H3C-13-H2C-13-N
  494286.8460  0.0500 -3.4960 3  922.1226115 -58516 303572533      562532        C-13-H3C-13-H2C-13-N
  494438.8324  0.0048 -4.8291 3  350.9381 97  58516 30348 642      48 345        C-13-H3C-13-H2C-13-N
  494509.1608  0.0086 -5.0112 3 1194.8442175  58516 303871275      871176        C-13-H3C-13-H2C-13-N
  494511.0150  0.0500 -3.5816 3  959.2856115 -58516 303572631      562630        C-13-H3C-13-H2C-13-N
  494511.0150  0.0500 -3.5816 3  959.2856115 -58516 303572632      562631        C-13-H3C-13-H2C-13-N
  494585.1320  0.0300 -3.5347 3  136.0032 59 -58516 30329 624      28 523        C-13-H3C-13-H2C-13-N
  494619.6212  0.0043 -4.9290 3  284.0622 87  58516 30343 637      43 340        C-13-H3C-13-H2C-13-N
  494674.7170  0.0300 -2.5507 3  509.0029115 -58516 30357 850      56 849        C-13-H3C-13-H2C-13-N
  494728.4710  0.0809 -5.8825 3 1220.3154143  58516 303712645      722548        C-13-H3C-13-H2C-13-N
  494728.4710  0.0809 -5.8825 3 1220.3154143  58516 303712646      722547        C-13-H3C-13-H2C-13-N
  494747.0230  0.0300 -3.6705 3  997.8201115 -58516 303572730      562729        C-13-H3C-13-H2C-13-N
  494747.0230  0.0300 -3.6705 3  997.8201115 -58516 303572731      562730        C-13-H3C-13-H2C-13-N
  494773.9930  0.0300 -2.4671 3  467.8881113 -58516 30356 551      55 550        C-13-H3C-13-H2C-13-N
  494811.6870  0.0300 -2.5505 3  509.0182115 -58516 30357 849      56 848        C-13-H3C-13-H2C-13-N
  494977.4849  0.0511 -5.6435 3 1083.3955133  58516 303662541      672444        C-13-H3C-13-H2C-13-N
  494977.4849  0.0511 -5.6435 3 1083.3955133  58516 303662542      672443        C-13-H3C-13-H2C-13-N
  494991.0040  0.0300 -3.5341 3  135.9905 59 -58516 30329 623      28 524        C-13-H3C-13-H2C-13-N
  494994.2560  0.0500 -3.7627 3 1037.7165115 -58516 303572829      562828        C-13-H3C-13-H2C-13-N
  494994.2560  0.0500 -3.7627 3 1037.7165115 -58516 303572830      562829        C-13-H3C-13-H2C-13-N
  495005.1911  0.0086 -5.0103 3 1194.8261175  58516 303871276      871177        C-13-H3C-13-H2C-13-N
  495214.3554  0.0304 -5.4277 3  955.0939123  58516 303612437      622340        C-13-H3C-13-H2C-13-N
  495214.3554  0.0304 -5.4277 3  955.0939123  58516 303612438      622339        C-13-H3C-13-H2C-13-N
  495252.4390  0.0500 -3.8583 3 1078.9650115 -58516 303572928      562927        C-13-H3C-13-H2C-13-N
  495252.4390  0.0500 -3.8583 3 1078.9650115 -58516 303572929      562928        C-13-H3C-13-H2C-13-N
  495294.9760  0.0300 -2.5043 3  488.9904115 -58516 30357 652      56 651        C-13-H3C-13-H2C-13-N
  495326.5750  0.0077 -5.6220 3  651.4627131  58516 30365 858      65 659        C-13-H3C-13-H2C-13-N
  495335.2648  0.0036 -5.6615 3  189.7721 33  58516 3031615 1      1714 4        C-13-H3C-13-H2C-13-N
  495335.2648  0.0036 -5.6615 3  189.7721 33  58516 3031615 2      1714 3        C-13-H3C-13-H2C-13-N
  495360.3847  0.0523 -5.9043 3  997.0226169  58516 30384 282      84 283        C-13-H3C-13-H2C-13-N
  495360.4131  0.0523 -5.1421 3  997.0226169  58516 30384 282      84 183        C-13-H3C-13-H2C-13-N
  495361.5091  0.0523 -5.1421 3  997.0226169  58516 30384 382      84 283        C-13-H3C-13-H2C-13-N
  495361.5374  0.0523 -5.9043 3  997.0226169  58516 30384 382      84 183        C-13-H3C-13-H2C-13-N
  495430.5743  0.0168 -5.2365 3  835.4221113  58516 303562333      572236        C-13-H3C-13-H2C-13-N
  495430.5743  0.0168 -5.2365 3  835.4221113  58516 303562334      572235        C-13-H3C-13-H2C-13-N
  495435.3930  0.0300 -2.5250 3  498.2581115 -58516 30357 751      56 750        C-13-H3C-13-H2C-13-N
  495440.4463  0.0034 -5.9098 3   41.3758 33  58516 30316 512      15 313        C-13-H3C-13-H2C-13-N
  495513.2300  0.0300 -2.4929 3  488.2065117 -58516 30358 455      57 454        C-13-H3C-13-H2C-13-N
  495521.0690  0.0500 -3.9574 3 1121.5557115 -58516 303573027      563026        C-13-H3C-13-H2C-13-N
  495521.0690  0.0500 -3.9574 3 1121.5557115 -58516 303573028      563027        C-13-H3C-13-H2C-13-N
  495530.1598  0.0081 -4.9636 3 1169.7480173  58516 303861274      861175        C-13-H3C-13-H2C-13-N
  495543.7920  0.0300 -3.7013 3  216.5482 77 -58516 30338 534      37 433        C-13-H3C-13-H2C-13-N
  495607.6345  0.0035 -5.0329 3  240.1117 43  58516 3032116 5      2215 8        C-13-H3C-13-H2C-13-N
  495607.6345  0.0035 -5.0329 3  240.1117 43  58516 3032116 6      2215 7        C-13-H3C-13-H2C-13-N
  495617.3212  0.0083 -5.0718 3  724.3906103  58516 303512229      522132        C-13-H3C-13-H2C-13-N
  495617.3212  0.0083 -5.0718 3  724.3906103  58516 303512230      522131        C-13-H3C-13-H2C-13-N
  495729.3457  0.0047 -4.2787 3  629.1135131  58516 30365 560      64 659        C-13-H3C-13-H2C-13-N
  495765.5354  0.0040 -4.9362 3  622.0090 93  58516 303462125      472028        C-13-H3C-13-H2C-13-N
  495765.5354  0.0040 -4.9362 3  622.0090 93  58516 303462126      472027        C-13-H3C-13-H2C-13-N
  495788.9282  0.0035 -4.8265 3  299.1367 53  58516 3032617 9      271612        C-13-H3C-13-H2C-13-N
  495788.9282  0.0035 -4.8265 3  299.1367 53  58516 303261710      271611        C-13-H3C-13-H2C-13-N
  495799.8200  0.0500 -4.0598 3 1165.4786115 -58516 303573126      563125        C-13-H3C-13-H2C-13-N
  495799.8200  0.0500 -4.0598 3 1165.4786115 -58516 303573127      563126        C-13-H3C-13-H2C-13-N
  495866.0021  0.0030 -4.8338 3  528.2858 83  58516 303412021      421924        C-13-H3C-13-H2C-13-N
  495866.0021  0.0030 -4.8338 3  528.2858 83  58516 303412022      421923        C-13-H3C-13-H2C-13-N
  495886.7363  0.0034 -4.7606 3  366.8437 63  58516 303311813      321716        C-13-H3C-13-H2C-13-N
  495886.7363  0.0034 -4.7606 3  366.8437 63  58516 303311814      321715        C-13-H3C-13-H2C-13-N
  495909.4597  0.0033 -4.7713 3  443.2286 73  58516 303361917      371820        C-13-H3C-13-H2C-13-N
  495909.4597  0.0033 -4.7713 3  443.2286 73  58516 303361918      371819        C-13-H3C-13-H2C-13-N
  495927.3746  0.0081 -4.9629 3 1169.7336173  58516 303861275      861176        C-13-H3C-13-H2C-13-N
  495954.0726  0.0050 -5.7887 3   96.0019 51  58516 30325 521      25 224        C-13-H3C-13-H2C-13-N
  496088.3880  0.0500 -4.1657 3 1210.7235115 -58516 303573225      563224        C-13-H3C-13-H2C-13-N
  496088.3880  0.0500 -4.1657 3 1210.7235115 -58516 303573226      563225        C-13-H3C-13-H2C-13-N
  496386.5572  0.0040 -4.2750 3 1257.2799115  58516 303573324      563323        C-13-H3C-13-H2C-13-N
  496386.5572  0.0040 -4.2750 3 1257.2799115  58516 303573325      563324        C-13-H3C-13-H2C-13-N
  496412.0330  0.0300 -2.4909 3  488.0222117 -58516 30358 355      57 354        C-13-H3C-13-H2C-13-N
  496495.0896  0.0019 -3.6551 3  174.2663 69  58516 30334 529      33 430        C-13-H3C-13-H2C-13-N
  496497.7327  0.0076 -4.9167 3 1144.9402171  58516 303851273      851174        C-13-H3C-13-H2C-13-N
  496537.3827  0.0976 -5.9575 3  889.6802161  58516 30380 179      80 180        C-13-H3C-13-H2C-13-N
  496537.3836  0.0976 -5.2188 3  889.6802161  58516 30380 179      80 080        C-13-H3C-13-H2C-13-N
  496537.4563  0.0976 -5.2188 3  889.6802161  58516 30380 279      80 180        C-13-H3C-13-H2C-13-N
  496537.4572  0.0976 -5.9575 3  889.6802161  58516 30380 279      80 080        C-13-H3C-13-H2C-13-N
  496612.3556  0.0024 -4.8390 3  148.6121 65  58516 30332 428      31 229        C-13-H3C-13-H2C-13-N
  496637.3050  0.0300 -2.5233 3  498.4230115 -58516 30357 750      56 749        C-13-H3C-13-H2C-13-N
  496694.0384  0.0058 -4.3878 3 1305.1373115  58516 303573423      563422        C-13-H3C-13-H2C-13-N
  496694.0384  0.0058 -4.3878 3 1305.1373115  58516 303573424      563423        C-13-H3C-13-H2C-13-N
  496814.6118  0.0076 -4.9162 3 1144.9287171  58516 303851274      851175        C-13-H3C-13-H2C-13-N
  496891.2660  0.0300 -3.6383 3  494.8184119 -58516 30359 257      58 356        C-13-H3C-13-H2C-13-N
  497010.6096  0.0091 -4.5042 3 1354.2849115  58516 303573522      563521        C-13-H3C-13-H2C-13-N
  497010.6096  0.0091 -4.5042 3 1354.2849115  58516 303573523      563522        C-13-H3C-13-H2C-13-N
  497127.1511  0.0397 -5.6390 3 1431.7264199  58516 30399 594      99 495        C-13-H3C-13-H2C-13-N
  497164.7080  0.0300 -2.4956 3  494.8184119 -58516 30359 357      58 356        C-13-H3C-13-H2C-13-N
  497210.0075  0.0042 -4.9635 3  271.4932 85  58516 30342 636      42 339        C-13-H3C-13-H2C-13-N
  497228.7880  0.0300 -2.4955 3  494.8071119 -58516 30359 257      58 256        C-13-H3C-13-H2C-13-N
  497336.0585  0.0142 -4.6242 3 1404.7119115  58516 303573621      563620        C-13-H3C-13-H2C-13-N
  497336.0585  0.0142 -4.6242 3 1404.7119115  58516 303573622      563621        C-13-H3C-13-H2C-13-N
  497387.4998  0.0030 -5.1723 3   68.4657 45  58516 30322 419      21 120        C-13-H3C-13-H2C-13-N
  497404.3203  0.0050 -4.8253 3  365.1111 99  58516 30349 643      49 346        C-13-H3C-13-H2C-13-N
  497415.3486  0.0071 -4.8706 3 1120.4206169  58516 303841272      841173        C-13-H3C-13-H2C-13-N
  497436.5469  0.0396 -5.6385 3 1431.7271199  58516 30399 694      99 595        C-13-H3C-13-H2C-13-N
  497502.2350  0.0300 -3.6372 3  494.8071119 -58516 30359 357      58 256        C-13-H3C-13-H2C-13-N
  497601.1980  0.1000 -3.4700 3  106.5329 49 -58516 30324 718      23 617        C-13-H3C-13-H2C-13-N
  497602.7600  0.1000 -3.4700 3  106.5329 49 -58516 30324 717      23 618        C-13-H3C-13-H2C-13-N
  497659.6920  0.0300 -2.4778 3  479.0897115 -58516 30357 453      56 452        C-13-H3C-13-H2C-13-N
  497666.2324  0.0037 -5.4074 3   82.0647 49  58516 30324 421      23 222        C-13-H3C-13-H2C-13-N
  497667.1699  0.0072 -4.8702 3 1120.4115169  58516 303841273      841174        C-13-H3C-13-H2C-13-N
  497670.1866  0.0216 -4.7478 3 1456.4073115  58516 303573720      563719        C-13-H3C-13-H2C-13-N
  497670.1866  0.0216 -4.7478 3 1456.4073115  58516 303573721      563720        C-13-H3C-13-H2C-13-N
  497927.8650  0.0097 -5.8934 3  129.8518 61  58516 30330 427      30 130        C-13-H3C-13-H2C-13-N
  498012.8081  0.0318 -4.8752 3 1509.3601115  58516 303573819      563818        C-13-H3C-13-H2C-13-N
  498012.8081  0.0318 -4.8752 3 1509.3601115  58516 303573820      563819        C-13-H3C-13-H2C-13-N
  498196.8204  0.0567 -5.9497 3 1621.6079211  58516 303A5 699      A5 5A0        C-13-H3C-13-H2C-13-N
  498286.1145  0.0067 -4.8252 3 1096.1892167  58516 303831271      831172        C-13-H3C-13-H2C-13-N
  498290.2146  0.0036 -5.3466 3  306.0521 89  58516 30344 738      44 539        C-13-H3C-13-H2C-13-N
  498363.7475  0.0454 -5.0065 3 1563.5589115  58516 303573918      563917        C-13-H3C-13-H2C-13-N
  498363.7475  0.0454 -5.0065 3 1563.5589115  58516 303573919      563918        C-13-H3C-13-H2C-13-N
  498452.8112  0.0408 -6.0312 3 1134.1090179  58516 30389 386      89 387        C-13-H3C-13-H2C-13-N
  498453.1768  0.0408 -5.2442 3 1134.1090179  58516 30389 386      89 287        C-13-H3C-13-H2C-13-N
  498462.2534  0.0408 -5.2442 3 1134.1090179  58516 30389 486      89 387        C-13-H3C-13-H2C-13-N
  498462.6190  0.0408 -6.0311 3 1134.1090179  58516 30389 486      89 287        C-13-H3C-13-H2C-13-N
  498485.4568  0.0067 -4.8249 3 1096.1820167  58516 303831272      831173        C-13-H3C-13-H2C-13-N
  498574.2305  0.0140 -5.8492 3  185.2539 73  58516 30336 333      36 036        C-13-H3C-13-H2C-13-N
  498722.8392  0.0634 -5.1416 3 1618.9924115  58516 303574017      564016        C-13-H3C-13-H2C-13-N
  498722.8392  0.0634 -5.1416 3 1618.9924115  58516 303574018      564017        C-13-H3C-13-H2C-13-N
  498740.8740  0.0300 -3.5616 3  500.2491121 -58516 30360 159      59 258        C-13-H3C-13-H2C-13-N
  498749.3660  0.0300 -2.4961 3  500.2491121 -58516 30360 259      59 258        C-13-H3C-13-H2C-13-N
  498751.6120  0.0300 -2.4961 3  500.2487121 -58516 30360 159      59 158        C-13-H3C-13-H2C-13-N
  498760.1030  0.0300 -3.5615 3  500.2487121 -58516 30360 259      59 158        C-13-H3C-13-H2C-13-N
  499089.9258  0.0866 -5.2809 3 1675.6491115  58516 303574116      564115        C-13-H3C-13-H2C-13-N
  499089.9258  0.0866 -5.2809 3 1675.6491115  58516 303574117      564116        C-13-H3C-13-H2C-13-N
  499110.4030  0.0300 -3.4334 3   85.8753 39 -58516 30319 812      18 711        C-13-H3C-13-H2C-13-N
  499110.4030  0.0300 -3.4334 3   85.8753 39 -58516 30319 811      18 712        C-13-H3C-13-H2C-13-N
  499112.8196  0.0063 -4.7806 3 1072.2459165  58516 303821270      821171        C-13-H3C-13-H2C-13-N
  499186.7809  0.0396 -5.4174 3 1279.0410189  58516 30394 490      94 391        C-13-H3C-13-H2C-13-N
  499195.8270  0.0300 -3.7113 3  227.7360 79 -58516 30339 535      38 434        C-13-H3C-13-H2C-13-N
  499245.2361  0.0396 -5.4173 3 1279.0411189  58516 30394 590      94 491        C-13-H3C-13-H2C-13-N
  499269.9971  0.0063 -4.7803 3 1072.2402165  58516 303821271      821172        C-13-H3C-13-H2C-13-N
  499369.7433  0.0562 -5.9477 3 1621.6116211  58516 303A5 799      A5 6A0        C-13-H3C-13-H2C-13-N
  499464.8580  0.1162 -5.4244 3 1733.5175115  58516 303574215      564214        C-13-H3C-13-H2C-13-N
  499464.8580  0.1162 -5.4244 3 1733.5175115  58516 303574216      564215        C-13-H3C-13-H2C-13-N
  499656.3901  0.0086 -6.0095 3  258.8364 85  58516 30342 438      42 241        C-13-H3C-13-H2C-13-N
  499779.3290  0.0300 -3.7575 3  504.7350119 -58516 30359 356      58 455        C-13-H3C-13-H2C-13-N
  499847.4936  0.1534 -5.5724 3 1792.5858115  58516 303574314      564313        C-13-H3C-13-H2C-13-N
  499847.4936  0.1534 -5.5724 3 1792.5858115  58516 303574315      564314        C-13-H3C-13-H2C-13-N
  499897.9747  0.0059 -4.7367 3 1048.5907163  58516 303811269      811170        C-13-H3C-13-H2C-13-N
  499938.8947  0.0335 -5.3901 3 1116.9368173  58516 30386 878      85 977        C-13-H3C-13-H2C-13-N
  500021.4100  0.0059 -4.7365 3 1048.5863163  58516 303811270      811171        C-13-H3C-13-H2C-13-N
  500144.0627  0.0051 -5.7363 3  103.3862 53  58516 30326 522      26 225        C-13-H3C-13-H2C-13-N
  500168.9054  0.0086 -5.3067 3  258.8193 85  58516 30342 438      42 141        C-13-H3C-13-H2C-13-N
  500203.8120  0.0300 -3.4098 3   73.9423 29 -58516 30314 9 5      13 8 6        C-13-H3C-13-H2C-13-N
  500203.8120  0.0300 -3.4098 3   73.9423 29 -58516 30314 9 6      13 8 5        C-13-H3C-13-H2C-13-N
  500237.6975  0.1999 -5.7251 3 1852.8421115  58516 303574413      564412        C-13-H3C-13-H2C-13-N
  500237.6975  0.1999 -5.7251 3 1852.8421115  58516 303574414      564413        C-13-H3C-13-H2C-13-N
  500323.8517  0.0059 -5.4889 3  409.6446105  58516 30352 646      52 449        C-13-H3C-13-H2C-13-N
  500396.4116  0.0034 -3.5001 3  504.6002123  58516 30361 061      60 160        C-13-H3C-13-H2C-13-N
  500396.5460  0.0300 -2.4942 3  504.6002123 -58516 30361 161      60 160        C-13-H3C-13-H2C-13-N
  500396.5460  0.0300 -2.4942 3  504.6002123 -58516 30361 061      60 060        C-13-H3C-13-H2C-13-N
  500396.6653  0.0034 -3.5001 3  504.6002123  58516 30361 161      60 060        C-13-H3C-13-H2C-13-N
  500476.2465  0.0042 -5.0021 3  259.1970 83  58516 30341 635      41 338        C-13-H3C-13-H2C-13-N
  500635.3412  0.2574 -5.8828 3 1914.2746115  58516 303574512      564511        C-13-H3C-13-H2C-13-N
  500635.3412  0.2574 -5.8828 3 1914.2746115  58516 303574513      564512        C-13-H3C-13-H2C-13-N
  500643.8478  0.0055 -4.6935 3 1025.2236161  58516 303801268      801169        C-13-H3C-13-H2C-13-N
  500740.3903  0.0056 -4.6933 3 1025.2201161  58516 303801269      801170        C-13-H3C-13-H2C-13-N
  500957.6820  0.0300 -2.5026 3  496.9929117 -58516 30358 554      57 553        C-13-H3C-13-H2C-13-N
  500984.3370  0.0300 -2.4966 3  490.1118115 -58516 30357 651      56 650        C-13-H3C-13-H2C-13-N
  501038.3410  0.0500 -3.7351 3  488.0222117 -58516 30358 455      57 354        C-13-H3C-13-H2C-13-N
  501040.3026  0.3277 -6.0461 3 1976.8712115  58516 303574611      564610        C-13-H3C-13-H2C-13-N
  501040.3026  0.3277 -6.0461 3 1976.8712115  58516 303574612      564611        C-13-H3C-13-H2C-13-N
  501352.4947  0.0052 -4.6510 3 1002.1444159  58516 303791267      791168        C-13-H3C-13-H2C-13-N
  501427.6914  0.0052 -4.6509 3 1002.1417159  58516 303791268      791169        C-13-H3C-13-H2C-13-N
  501488.4907  0.0052 -4.8272 3  379.5486101  58516 30350 644      50 347        C-13-H3C-13-H2C-13-N
  501520.9320  0.0300 -2.8348 3  644.3315117 -58516 303581543      571542        C-13-H3C-13-H2C-13-N
  501520.9320  0.0300 -2.8348 3  644.3315117 -58516 303581544      571543        C-13-H3C-13-H2C-13-N
  501524.6150  0.0300 -2.7860 3  622.8371117 -58516 303581444      571443        C-13-H3C-13-H2C-13-N
  501524.6150  0.0300 -2.7860 3  622.8371117 -58516 303581445      571444        C-13-H3C-13-H2C-13-N
  501551.0735  0.0076 -4.3185 3  144.4427 65  58516 30332 329      31 230        C-13-H3C-13-H2C-13-N
  501555.5020  0.0300 -2.8869 3  667.2946117 -58516 303581642      571641        C-13-H3C-13-H2C-13-N
  501555.5020  0.0300 -2.8869 3  667.2946117 -58516 303581643      571642        C-13-H3C-13-H2C-13-N
  501576.0890  0.0300 -2.7405 3  602.8218117 -58516 303581345      571344        C-13-H3C-13-H2C-13-N
  501576.0890  0.0300 -2.7405 3  602.8218117 -58516 303581346      571345        C-13-H3C-13-H2C-13-N
  501621.6300  0.0300 -2.9422 3  691.7172117 -58516 303581741      571740        C-13-H3C-13-H2C-13-N
  501621.6300  0.0300 -2.9422 3  691.7172117 -58516 303581742      571741        C-13-H3C-13-H2C-13-N
  501689.3270  0.0300 -2.6984 3  584.2974117 -58516 303581247      571246        C-13-H3C-13-H2C-13-N
  501689.3270  0.0300 -2.6984 3  584.2974117 -58516 303581246      571245        C-13-H3C-13-H2C-13-N
  501714.4700  0.0300 -3.0010 3  717.5907117 -58516 303581840      571839        C-13-H3C-13-H2C-13-N
  501714.4700  0.0300 -3.0010 3  717.5907117 -58516 303581841      571840        C-13-H3C-13-H2C-13-N
  501720.0877  0.0547 -5.9418 3 1020.3878171  58516 30385 283      85 284        C-13-H3C-13-H2C-13-N
  501720.1100  0.0547 -5.1797 3 1020.3878171  58516 30385 283      85 184        C-13-H3C-13-H2C-13-N
  501720.9859  0.0547 -5.1797 3 1020.3878171  58516 30385 383      85 284        C-13-H3C-13-H2C-13-N
  501721.0083  0.0547 -5.9418 3 1020.3878171  58516 30385 383      85 184        C-13-H3C-13-H2C-13-N
  501830.4310  0.0300 -3.0630 3  744.9063117 -58516 303581939      571938        C-13-H3C-13-H2C-13-N
  501830.4310  0.0300 -3.0630 3  744.9063117 -58516 303581940      571939        C-13-H3C-13-H2C-13-N
  501885.7720  0.0300 -2.6595 3  567.2786117 -58516 303581148      571147        C-13-H3C-13-H2C-13-N
  501885.7720  0.0300 -2.6595 3  567.2786117 -58516 303581147      571146        C-13-H3C-13-H2C-13-N
  501966.7790  0.0300 -3.1283 3  773.6557117 -58516 303582038      572037        C-13-H3C-13-H2C-13-N
  501966.7790  0.0300 -3.1283 3  773.6557117 -58516 303582039      572038        C-13-H3C-13-H2C-13-N
  502025.7873  0.0049 -4.6093 3  979.3533157  58516 303781266      781167        C-13-H3C-13-H2C-13-N
  502084.1115  0.0049 -4.6092 3  979.3512157  58516 303781267      781168        C-13-H3C-13-H2C-13-N
  502095.4186  0.0034 -5.8345 3   46.0651 35  58516 30317 512      16 313        C-13-H3C-13-H2C-13-N
  502121.4390  0.0300 -3.1969 3  803.8305117 -58516 303582137      572136        C-13-H3C-13-H2C-13-N
  502121.4390  0.0300 -3.1969 3  803.8305117 -58516 303582138      572137        C-13-H3C-13-H2C-13-N
  502199.6621  0.0011 -2.6239 3  551.7851117  58516 303581049      571048        C-13-H3C-13-H2C-13-N
  502200.5238  0.0011 -2.6239 3  551.7852117  58516 303581048      571047        C-13-H3C-13-H2C-13-N
  502292.7615  0.0015 -3.2689 3  835.4221117  58516 303582236      572235        C-13-H3C-13-H2C-13-N
  502292.8750  0.0500 -3.2689 3  835.4221117 -58516 303582237      572236        C-13-H3C-13-H2C-13-N
  502463.0220  0.0300 -3.7217 3  239.2268 81 -58516 30340 536      39 435        C-13-H3C-13-H2C-13-N
  502479.4350  0.0300 -3.3441 3  868.4218117 -58516 303582335      572334        C-13-H3C-13-H2C-13-N
  502479.4350  0.0300 -3.3441 3  868.4218117 -58516 303582336      572335        C-13-H3C-13-H2C-13-N
  502665.4366  0.0046 -4.5683 3  956.8502155  58516 303771265      771166        C-13-H3C-13-H2C-13-N
  502680.3960  0.0300 -3.4227 3  902.8208117 -58516 303582434      572433        C-13-H3C-13-H2C-13-N
  502680.3960  0.0300 -3.4227 3  902.8208117 -58516 303582435      572434        C-13-H3C-13-H2C-13-N
  502686.0670  0.0300 -2.5915 3  537.8460117 -58516 30358 950      57 949        C-13-H3C-13-H2C-13-N
  502700.2270  0.0300 -2.5915 3  537.8474117 -58516 30358 949      57 948        C-13-H3C-13-H2C-13-N
  502710.4803  0.0046 -4.5682 3  956.8486155  58516 303771266      771167        C-13-H3C-13-H2C-13-N
  502754.6586  0.0035 -5.3448 3  293.1655 87  58516 30343 737      43 538        C-13-H3C-13-H2C-13-N
  502822.4960  0.0300 -3.9669 3  547.9516123 -58516 30361 457      60 556        C-13-H3C-13-H2C-13-N
  502829.3610  0.0300 -3.5312 3  144.4059 61 -58516 30330 625      29 524        C-13-H3C-13-H2C-13-N
  502894.7850  0.0300 -3.5046 3  938.6102117 -58516 303582533      572532        C-13-H3C-13-H2C-13-N
  502894.7850  0.0300 -3.5046 3  938.6102117 -58516 303582534      572533        C-13-H3C-13-H2C-13-N
  502902.6040  0.1020 -5.9927 3  911.7604163  58516 30381 180      81 181        C-13-H3C-13-H2C-13-N
  502902.6047  0.1020 -5.2537 3  911.7604163  58516 30381 180      81 081        C-13-H3C-13-H2C-13-N
  502902.6619  0.1020 -5.2537 3  911.7604163  58516 30381 280      81 181        C-13-H3C-13-H2C-13-N
  502902.6626  0.1020 -5.9927 3  911.7604163  58516 30381 280      81 081        C-13-H3C-13-H2C-13-N
  503025.4261  0.0808 -5.8377 3 1199.5332141  58516 303702644      712547        C-13-H3C-13-H2C-13-N
  503025.4261  0.0808 -5.8377 3 1199.5332141  58516 303702645      712546        C-13-H3C-13-H2C-13-N
  503121.8660  0.0300 -3.5898 3  975.7808117 -58516 303582632      572631        C-13-H3C-13-H2C-13-N
  503121.8660  0.0300 -3.5898 3  975.7808117 -58516 303582633      572632        C-13-H3C-13-H2C-13-N
  503185.8720  0.0300 -3.9204 3  178.3008 71 -58516 30335 431      34 332        C-13-H3C-13-H2C-13-N
  503273.0139  0.0043 -4.5280 3  934.6351153  58516 303761264      761165        C-13-H3C-13-H2C-13-N
  503307.6494  0.0043 -4.5280 3  934.6338153  58516 303761265      761166        C-13-H3C-13-H2C-13-N
  503318.8654  0.0511 -5.6029 3 1064.0496131  58516 303652540      662443        C-13-H3C-13-H2C-13-N
  503318.8654  0.0511 -5.6029 3 1064.0496131  58516 303652541      662442        C-13-H3C-13-H2C-13-N
  503361.0120  0.0500 -3.6783 3 1014.3231117 -58516 303582731      572730        C-13-H3C-13-H2C-13-N
  503361.0120  0.0500 -3.6783 3 1014.3231117 -58516 303582732      572731        C-13-H3C-13-H2C-13-N
  503399.9880  0.0300 -2.5624 3  525.5035117 -58516 30358 851      57 850        C-13-H3C-13-H2C-13-N
  503400.3448  0.0017 -3.5305 3  144.3881 61  58516 30330 624      29 525        C-13-H3C-13-H2C-13-N
  503455.7080  0.0300 -2.4789 3  484.3920115 -58516 30357 552      56 551        C-13-H3C-13-H2C-13-N
  503535.3213  0.0070 -5.7008 3  343.8634 97  58516 30348 543      48 346        C-13-H3C-13-H2C-13-N
  503573.5400  0.0300 -2.5621 3  525.5233117 -58516 30358 850      57 849        C-13-H3C-13-H2C-13-N
  503597.2529  0.0304 -5.3917 3  937.1862121  58516 303602436      612339        C-13-H3C-13-H2C-13-N
  503597.2529  0.0304 -5.3917 3  937.1862121  58516 303602437      612338        C-13-H3C-13-H2C-13-N
  503611.7800  0.0500 -3.7702 3 1054.2277117 -58516 303582830      572829        C-13-H3C-13-H2C-13-N
  503611.7800  0.0500 -3.7702 3 1054.2277117 -58516 303582831      572830        C-13-H3C-13-H2C-13-N
  503643.5080  0.0300 -2.5060 3  504.7350119 -58516 30359 456      58 455        C-13-H3C-13-H2C-13-N
  503663.4957  0.0412 -5.6860 3 1459.7301201  58516 303A0 595      A0 496        C-13-H3C-13-H2C-13-N
  503849.9688  0.0041 -4.4885 3  912.7079151  58516 303751263      751164        C-13-H3C-13-H2C-13-N
  503852.0100  0.0167 -5.2056 3  818.9543111  58516 303552332      562235        C-13-H3C-13-H2C-13-N
  503852.0100  0.0167 -5.2056 3  818.9543111  58516 303552333      562234        C-13-H3C-13-H2C-13-N
  503859.1360  0.0300 -2.5164 3  505.5117117 -58516 30358 653      57 652        C-13-H3C-13-H2C-13-N
  503873.6130  0.0300 -3.8653 3 1095.4848117 -58516 303582929      572928        C-13-H3C-13-H2C-13-N
  503873.6130  0.0300 -3.8653 3 1095.4848117 -58516 303582930      572929        C-13-H3C-13-H2C-13-N
  503876.4826  0.0041 -4.4884 3  912.7070151  58516 303751264      751165        C-13-H3C-13-H2C-13-N
  503921.4180  0.0411 -5.6856 3 1459.7308201  58516 303A0 695      A0 596        C-13-H3C-13-H2C-13-N
  504003.0015  0.0034 -5.8334 3   46.0014 35  58516 30317 513      16 314        C-13-H3C-13-H2C-13-N
  504074.2642  0.0083 -5.0464 3  709.3643101  58516 303502228      512131        C-13-H3C-13-H2C-13-N
  504074.2642  0.0083 -5.0464 3  709.3643101  58516 303502229      512130        C-13-H3C-13-H2C-13-N
  504146.2080  0.0300 -3.9639 3 1138.0845117 -58516 303583028      573027        C-13-H3C-13-H2C-13-N
  504146.2080  0.0300 -3.9639 3 1138.0845117 -58516 303583029      573028        C-13-H3C-13-H2C-13-N
  504152.0760  0.0300 -2.5368 3  514.7840117 -58516 30358 752      57 751        C-13-H3C-13-H2C-13-N
  504214.4301  0.0036 -5.1309 3  233.7534 41  58516 3032016 4      2115 7        C-13-H3C-13-H2C-13-N
  504214.4301  0.0036 -5.1309 3  233.7534 41  58516 3032016 5      2115 6        C-13-H3C-13-H2C-13-N
  504254.9246  0.0040 -4.9174 3  608.4254 91  58516 303452124      462027        C-13-H3C-13-H2C-13-N
  504254.9246  0.0040 -4.9174 3  608.4254 91  58516 303452125      462026        C-13-H3C-13-H2C-13-N
  504335.5276  0.0043 -5.0443 3  247.1757 81  58516 30340 634      40 337        C-13-H3C-13-H2C-13-N
  504377.9205  0.0036 -4.8663 3  291.3325 51  58516 3032517 8      261611        C-13-H3C-13-H2C-13-N
  504377.9205  0.0036 -4.8663 3  291.3325 51  58516 3032517 9      261610        C-13-H3C-13-H2C-13-N
  504384.7727  0.0030 -4.8229 3  516.1461 81  58516 303402020      411923        C-13-H3C-13-H2C-13-N
  504384.7727  0.0030 -4.8229 3  516.1461 81  58516 303402021      411922        C-13-H3C-13-H2C-13-N
  504397.6449  0.0038 -4.4496 3  891.0688149  58516 303741262      741163        C-13-H3C-13-H2C-13-N
  504400.1874  0.0073 -5.6007 3  632.3316129  58516 30364 857      64 658        C-13-H3C-13-H2C-13-N
  504405.7260  0.0300 -2.5043 3  504.5807119 -58516 30359 356      58 355        C-13-H3C-13-H2C-13-N
  504417.8495  0.0038 -4.4496 3  891.0681149  58516 303741263      741164        C-13-H3C-13-H2C-13-N
  504429.1260  0.0500 -4.0658 3 1182.0167117 -58516 303583127      573126        C-13-H3C-13-H2C-13-N
  504429.1260  0.0500 -4.0658 3 1182.0167117 -58516 303583128      573127        C-13-H3C-13-H2C-13-N
  504454.5740  0.0033 -4.7707 3  432.5335 71  58516 303351916      361819        C-13-H3C-13-H2C-13-N
  504454.5740  0.0033 -4.7707 3  432.5335 71  58516 303351917      361818        C-13-H3C-13-H2C-13-N
  504455.2216  0.0035 -4.7750 3  357.5939 61  58516 303301812      311715        C-13-H3C-13-H2C-13-N
  504455.2216  0.0035 -4.7750 3  357.5939 61  58516 303301813      311714        C-13-H3C-13-H2C-13-N
  504722.1059  0.0033 -4.1711 3 1227.2712117  58516 303583226      573225        C-13-H3C-13-H2C-13-N
  504722.1059  0.0033 -4.1711 3 1227.2712117  58516 303583227      573226        C-13-H3C-13-H2C-13-N
  504774.2934  0.0053 -5.6895 3  111.0468 55  58516 30327 523      27 226        C-13-H3C-13-H2C-13-N
  504827.6391  0.0427 -5.2851 3 1159.0238181  58516 30390 387      90 288        C-13-H3C-13-H2C-13-N
  504834.9954  0.0427 -5.2850 3 1159.0239181  58516 30390 487      90 388        C-13-H3C-13-H2C-13-N
  504917.3680  0.0500 -4.4115 3  869.7176147 -58516 303731261      731162        C-13-H3C-13-H2C-13-N
  504931.8818  0.0598 -6.0001 3 1651.4165213  58516 303A6 6A0      A6 5A1        C-13-H3C-13-H2C-13-N
  504932.6187  0.0036 -4.4115 3  869.7171147  58516 303731262      731163        C-13-H3C-13-H2C-13-N
  504955.7792  0.0489 -5.8178 3 1336.8820189  58516 30394 985      931084        C-13-H3C-13-H2C-13-N
  505024.8530  0.0500 -4.2798 3 1273.8376117 -58516 303583325      573324        C-13-H3C-13-H2C-13-N
  505024.8530  0.0500 -4.2798 3 1273.8376117 -58516 303583326      573325        C-13-H3C-13-H2C-13-N
  505040.9580  0.0500 -3.6481 3  511.4020121 -58516 30360 258      59 357        C-13-H3C-13-H2C-13-N
  505262.2150  0.0300 -2.5091 3  511.4020121 -58516 30360 358      59 357        C-13-H3C-13-H2C-13-N
  505314.3850  0.0300 -2.5090 3  511.3929121 -58516 30360 258      59 257        C-13-H3C-13-H2C-13-N
  505337.0550  0.0500 -4.3920 3 1321.7052117 -58516 303583424      573423        C-13-H3C-13-H2C-13-N
  505337.0550  0.0500 -4.3920 3 1321.7052117 -58516 303583425      573424        C-13-H3C-13-H2C-13-N
  505370.9470  0.0300 -3.7322 3  251.0193 83 -58516 30341 537      40 436        C-13-H3C-13-H2C-13-N
  505410.0843  0.0034 -4.3741 3  848.6545145  58516 303721260      721161        C-13-H3C-13-H2C-13-N
  505421.6536  0.0034 -4.3741 3  848.6541145  58516 303721261      721162        C-13-H3C-13-H2C-13-N
  505535.7180  0.0300 -3.6473 3  511.3929121 -58516 30360 358      59 257        C-13-H3C-13-H2C-13-N
  505579.6670  0.0300 -2.4915 3  495.6898117 -58516 30358 454      57 453        C-13-H3C-13-H2C-13-N
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  505989.2450  0.0143 -4.6268 3 1421.3012117  58516 303583623      573622        C-13-H3C-13-H2C-13-N
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  506328.6813  0.0218 -4.7495 3 1473.0078117  58516 303583722      573721        C-13-H3C-13-H2C-13-N
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  506850.6740  0.0500 -2.5098 3  516.8853123 -58516 30361 160      60 159        C-13-H3C-13-H2C-13-N
  506857.3460  0.0300 -3.5737 3  516.8853123 -58516 30361 260      60 159        C-13-H3C-13-H2C-13-N
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  507033.3386  0.0460 -5.0060 3 1580.1825117  58516 303583920      573919        C-13-H3C-13-H2C-13-N
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  507137.3325  0.0028 -4.2319 3  767.2821137  58516 303681257      681158        C-13-H3C-13-H2C-13-N
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  507398.2071  0.0642 -5.1399 3 1635.6280117  58516 303584019      574018        C-13-H3C-13-H2C-13-N
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  507510.2293  0.0027 -4.1982 3  747.6593135  58516 303671256      671157        C-13-H3C-13-H2C-13-N
  507756.2690  0.0300 -3.4214 3   91.3616 41 -58516 30320 813      19 712        C-13-H3C-13-H2C-13-N
  507756.2690  0.0300 -3.4214 3   91.3616 41 -58516 30320 812      19 713        C-13-H3C-13-H2C-13-N
  507771.2162  0.0878 -5.2777 3 1692.2970117  58516 303584117      574116        C-13-H3C-13-H2C-13-N
  507771.2162  0.0878 -5.2777 3 1692.2970117  58516 303584118      574117        C-13-H3C-13-H2C-13-N
  507860.3750  0.0300 -4.1652 3  728.3245133 -58516 303661254      661155        C-13-H3C-13-H2C-13-N
  507862.3190  0.0300 -4.1652 3  728.3245133 -58516 303661255      661156        C-13-H3C-13-H2C-13-N
  507946.8650  0.0071 -5.6227 3   91.1672 53  58516 30326 324      25 125        C-13-H3C-13-H2C-13-N
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  508073.7335  0.0571 -5.2179 3 1044.0210173  58516 30386 284      86 185        C-13-H3C-13-H2C-13-N
  508074.4335  0.0571 -5.2179 3 1044.0210173  58516 30386 384      86 285        C-13-H3C-13-H2C-13-N
  508074.4511  0.0571 -5.9800 3 1044.0210173  58516 30386 384      86 185        C-13-H3C-13-H2C-13-N
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  508152.2115  0.1178 -5.4196 3 1750.1779117  58516 303584217      574216        C-13-H3C-13-H2C-13-N
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  508194.2842  0.0025 -4.1329 3  709.2778131  58516 303651254      651155        C-13-H3C-13-H2C-13-N
  508269.8460  0.0300 -3.7423 3  504.5807119 -58516 30359 456      58 355        C-13-H3C-13-H2C-13-N
  508497.8765  0.0036 -3.5137 3  521.2916125  58516 30362 062      61 161        C-13-H3C-13-H2C-13-N
  508497.9820  0.0300 -2.5082 3  521.2916125 -58516 30362 162      61 161        C-13-H3C-13-H2C-13-N
  508497.9820  0.0300 -2.5082 3  521.2916125 -58516 30362 062      61 061        C-13-H3C-13-H2C-13-N
  508498.0734  0.0036 -3.5137 3  521.2916125  58516 30362 162      61 061        C-13-H3C-13-H2C-13-N
  508505.9223  0.0024 -4.1014 3  690.5193129  58516 303641252      641153        C-13-H3C-13-H2C-13-N
  508506.9369  0.0024 -4.1014 3  690.5192129  58516 303641253      641154        C-13-H3C-13-H2C-13-N
  508541.0467  0.1556 -5.5657 3 1809.2589117  58516 303584315      574314        C-13-H3C-13-H2C-13-N
  508541.0467  0.1556 -5.5657 3 1809.2589117  58516 303584316      574315        C-13-H3C-13-H2C-13-N
  508544.7160  0.0300 -3.7631 3  521.5348121 -58516 30360 357      59 456        C-13-H3C-13-H2C-13-N
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  508715.5131  0.0070 -4.9375 3   91.1415 53  58516 30326 324      25 025        C-13-H3C-13-H2C-13-N
  508800.2418  0.0023 -4.0706 3  672.0488127  58516 303631251      631152        C-13-H3C-13-H2C-13-N
  508800.9717  0.0023 -4.0706 3  672.0488127  58516 303631252      631153        C-13-H3C-13-H2C-13-N
  508870.8580  0.0300 -3.3965 3   77.9838 31 -58516 30315 9 6      14 8 7        C-13-H3C-13-H2C-13-N
  508870.8580  0.0300 -3.3965 3   77.9838 31 -58516 30315 9 7      14 8 6        C-13-H3C-13-H2C-13-N
  508937.5822  0.2028 -5.7162 3 1869.5283117  58516 303584414      574413        C-13-H3C-13-H2C-13-N
  508937.5822  0.2028 -5.7162 3 1869.5283117  58516 303584415      574414        C-13-H3C-13-H2C-13-N
  509076.5672  0.0022 -4.0406 3  653.8666125  58516 303621250      621151        C-13-H3C-13-H2C-13-N
  509077.0892  0.0022 -4.0406 3  653.8666125  58516 303621251      621152        C-13-H3C-13-H2C-13-N
  509241.3720  0.0300 -2.5159 3  513.7031119 -58516 30359 555      58 554        C-13-H3C-13-H2C-13-N
  509263.2524  0.1067 -6.0285 3  934.1091165  58516 30382 181      82 182        C-13-H3C-13-H2C-13-N
  509263.2529  0.1067 -5.2893 3  934.1091165  58516 30382 181      82 082        C-13-H3C-13-H2C-13-N
  509263.2981  0.1067 -5.2893 3  934.1091165  58516 30382 281      82 182        C-13-H3C-13-H2C-13-N
  509263.2986  0.1067 -6.0285 3  934.1091165  58516 30382 281      82 082        C-13-H3C-13-H2C-13-N
  509335.6009  0.0022 -4.0114 3  635.9725123  58516 303611249      611150        C-13-H3C-13-H2C-13-N
  509335.9718  0.0022 -4.0114 3  635.9725123  58516 303611250      611151        C-13-H3C-13-H2C-13-N
  509341.6856  0.2611 -5.8715 3 1930.9740117  58516 303584513      574512        C-13-H3C-13-H2C-13-N
  509341.6856  0.2611 -5.8715 3 1930.9740117  58516 303584514      574513        C-13-H3C-13-H2C-13-N
  509343.9227  0.0211 -4.9950 3  939.0864159  58516 30379 772      78 871        C-13-H3C-13-H2C-13-N
  509433.1998  0.0105 -4.6190 3  776.4790145  58516 30372 666      71 765        C-13-H3C-13-H2C-13-N
  509578.0223  0.0021 -3.9828 3  618.3667121  58516 303601248      601149        C-13-H3C-13-H2C-13-N
  509578.2841  0.0021 -3.9828 3  618.3667121  58516 303601249      601150        C-13-H3C-13-H2C-13-N
  509753.2310  0.3326 -6.0318 3 1993.5841117  58516 303584612      574611        C-13-H3C-13-H2C-13-N
  509753.2310  0.3326 -6.0318 3 1993.5841117  58516 303584613      574612        C-13-H3C-13-H2C-13-N
  509782.0870  0.0300 -3.3673 3   73.3055 21 -58516 3031010 0       9 9 1        C-13-H3C-13-H2C-13-N
  509782.0870  0.0300 -3.3673 3   73.3055 21 -58516 3031010 1       9 9 0        C-13-H3C-13-H2C-13-N
  509804.5770  0.0300 -3.9551 3  601.0491119 -58516 303591247      591148        C-13-H3C-13-H2C-13-N
  509804.5770  0.0300 -3.9551 3  601.0491119 -58516 303591248      591149        C-13-H3C-13-H2C-13-N
  509864.6708  0.0054 -5.6479 3  118.9833 57  58516 30328 524      28 227        C-13-H3C-13-H2C-13-N
  509873.4096  0.0062 -5.5202 3  424.8115107  58516 30353 647      53 450        C-13-H3C-13-H2C-13-N
  509888.8874  0.0033 -5.7633 3   51.0062 37  58516 30318 513      17 314        C-13-H3C-13-H2C-13-N
  509970.1564  0.0039 -5.3710 3   88.8945 51  58516 30325 422      24 223        C-13-H3C-13-H2C-13-N
  510015.7190  0.0300 -3.9281 3  584.0197117 -58516 303581246      581147        C-13-H3C-13-H2C-13-N
  510015.7190  0.0300 -3.9281 3  584.0197117 -58516 303581247      581148        C-13-H3C-13-H2C-13-N
  510124.9850  0.0300 -2.8467 3  661.0604119 -58516 303591544      581543        C-13-H3C-13-H2C-13-N
  510124.9850  0.0300 -2.8467 3  661.0604119 -58516 303591545      581544        C-13-H3C-13-H2C-13-N
  510134.0100  0.0300 -2.7980 3  639.5662119 -58516 303591445      581444        C-13-H3C-13-H2C-13-N
  510134.0100  0.0300 -2.7980 3  639.5662119 -58516 303591446      581445        C-13-H3C-13-H2C-13-N
  510155.8550  0.0300 -2.8986 3  684.0247119 -58516 303591643      581642        C-13-H3C-13-H2C-13-N
  510155.8550  0.0300 -2.8986 3  684.0247119 -58516 303591644      581643        C-13-H3C-13-H2C-13-N
  510176.2140  0.0300 -2.5082 3  506.8229117 -58516 30358 652      57 651        C-13-H3C-13-H2C-13-N
  510177.6303  0.0427 -5.7337 3 1487.9993203  58516 303A1 596      A1 497        C-13-H3C-13-H2C-13-N
  510192.9850  0.0300 -2.7527 3  619.5526119 -58516 303591347      581346        C-13-H3C-13-H2C-13-N
  510192.9850  0.0300 -2.7527 3  619.5526119 -58516 303591346      581345        C-13-H3C-13-H2C-13-N
  510212.1410  0.0300 -3.9019 3  567.2786115 -58516 303571245      571146        C-13-H3C-13-H2C-13-N
  510212.1410  0.0300 -3.9019 3  567.2786115 -58516 303571246      571147        C-13-H3C-13-H2C-13-N
  510219.5730  0.0300 -2.9538 3  708.4495119 -58516 303591742      581741        C-13-H3C-13-H2C-13-N
  510219.5730  0.0300 -2.9538 3  708.4495119 -58516 303591743      581742        C-13-H3C-13-H2C-13-N
  510239.0370  0.0500 -3.7529 3  275.5032 87 -58516 30343 539      42 438        C-13-H3C-13-H2C-13-N
  510311.0170  0.0300 -3.0124 3  734.3260119 -58516 303591841      581840        C-13-H3C-13-H2C-13-N
  510311.0170  0.0300 -3.0124 3  734.3260119 -58516 303591842      581841        C-13-H3C-13-H2C-13-N
  510316.6890  0.0300 -2.7106 3  601.0320119 -58516 303591248      581247        C-13-H3C-13-H2C-13-N
  510316.6890  0.0300 -2.7106 3  601.0320119 -58516 303591247      581246        C-13-H3C-13-H2C-13-N
  510392.5077  0.0426 -5.7334 3 1487.9998203  58516 303A1 696      A1 597        C-13-H3C-13-H2C-13-N
  510394.4990  0.0300 -3.8765 3  550.8258113 -58516 303561244      561145        C-13-H3C-13-H2C-13-N
  510394.4990  0.0300 -3.8765 3  550.8258113 -58516 303561245      561146        C-13-H3C-13-H2C-13-N
  510403.3757  0.0033 -5.3462 3  268.3085 83  58516 30341 735      41 536        C-13-H3C-13-H2C-13-N
  510426.4420  0.0300 -3.0742 3  761.6455119 -58516 303591940      581939        C-13-H3C-13-H2C-13-N
  510426.4420  0.0300 -3.0742 3  761.6455119 -58516 303591941      581940        C-13-H3C-13-H2C-13-N
  510527.8180  0.0300 -2.6719 3  584.0197119 -58516 303591149      581148        C-13-H3C-13-H2C-13-N
  510527.8180  0.0300 -2.6719 3  584.0197119 -58516 303591148      581147        C-13-H3C-13-H2C-13-N
  510562.9970  0.0300 -3.1393 3  790.3995119 -58516 303592039      582038        C-13-H3C-13-H2C-13-N
  510562.9970  0.0300 -3.1393 3  790.3995119 -58516 303592040      582039        C-13-H3C-13-H2C-13-N
  510563.3271  0.0019 -3.8518 3  534.6612111  58516 303551243      551144        C-13-H3C-13-H2C-13-N
  510563.3684  0.0019 -3.8518 3  534.6612111  58516 303551244      551145        C-13-H3C-13-H2C-13-N
  510701.2996  0.0100 -5.8931 3  138.4057 63  58516 30331 428      31 131        C-13-H3C-13-H2C-13-N
  510718.3920  0.0300 -3.2077 3  820.5794119 -58516 303592138      582137        C-13-H3C-13-H2C-13-N
  510718.3920  0.0300 -3.2077 3  820.5794119 -58516 303592139      582138        C-13-H3C-13-H2C-13-N
  510719.2531  0.0019 -3.8279 3  518.7851109  58516 303541242      541143        C-13-H3C-13-H2C-13-N
  510719.2810  0.0019 -3.8279 3  518.7851109  58516 303541243      541144        C-13-H3C-13-H2C-13-N
  510758.5914  0.0048 -4.2670 3  647.8969133  58516 30366 561      65 660        C-13-H3C-13-H2C-13-N
  510862.6800  0.0300 -2.6364 3  568.5367119 -58516 303591050      581049        C-13-H3C-13-H2C-13-N
  510862.8003  0.0019 -3.8049 3  503.1972107  58516 303531241      531142        C-13-H3C-13-H2C-13-N
  510862.8190  0.0019 -3.8049 3  503.1972107  58516 303531242      531143        C-13-H3C-13-H2C-13-N
  510863.8900  0.0300 -2.6364 3  568.5368119 -58516 303591049      581048        C-13-H3C-13-H2C-13-N
  510891.0040  0.0500 -3.2795 3  852.1767119 -58516 303592237      582236        C-13-H3C-13-H2C-13-N
  510891.0040  0.0500 -3.2795 3  852.1767119 -58516 303592238      582237        C-13-H3C-13-H2C-13-N
  510994.5080  0.0500 -3.7826 3  487.8977105 -58516 303521240      521141        C-13-H3C-13-H2C-13-N
  510994.5080  0.0500 -3.7826 3  487.8977105 -58516 303521241      521142        C-13-H3C-13-H2C-13-N
  511002.3884  0.0017 -3.5291 3  153.1017 63  58516 30331 626      30 525        C-13-H3C-13-H2C-13-N
  511079.4260  0.0300 -3.3545 3  885.1827119 -58516 303592336      582335        C-13-H3C-13-H2C-13-N
  511079.4260  0.0300 -3.3545 3  885.1827119 -58516 303592337      582336        C-13-H3C-13-H2C-13-N
  511114.8780  0.0300 -3.7612 3  472.8866103 -58516 303511239      511140        C-13-H3C-13-H2C-13-N
  511114.8780  0.0300 -3.7612 3  472.8866103 -58516 303511240      511141        C-13-H3C-13-H2C-13-N
  511193.5074  0.0447 -5.3266 3 1184.2059183  58516 30391 388      91 289        C-13-H3C-13-H2C-13-N
  511199.4678  0.0447 -5.3266 3 1184.2059183  58516 30391 488      91 389        C-13-H3C-13-H2C-13-N
  511224.5130  0.0500 -3.7405 3  458.1639101 -58516 303501238      501139        C-13-H3C-13-H2C-13-N
  511224.5130  0.0500 -3.7405 3  458.1639101 -58516 303501239      501140        C-13-H3C-13-H2C-13-N
  511282.5250  0.0500 -3.4328 3  919.5884119 -58516 303592435      582434        C-13-H3C-13-H2C-13-N
  511282.5250  0.0500 -3.4328 3  919.5884119 -58516 303592436      582435        C-13-H3C-13-H2C-13-N
  511323.7950  0.0300 -3.7207 3  443.7297 99 -58516 303491237      491138        C-13-H3C-13-H2C-13-N
  511323.7950  0.0300 -3.7207 3  443.7297 99 -58516 303491238      491139        C-13-H3C-13-H2C-13-N
  511328.5759  0.0808 -5.7941 3 1179.0364139  58516 303692643      702546        C-13-H3C-13-H2C-13-N
  511328.5759  0.0808 -5.7941 3 1179.0364139  58516 303692644      702545        C-13-H3C-13-H2C-13-N
  511378.9280  0.0300 -2.6041 3  554.6138119 -58516 30359 951      58 950        C-13-H3C-13-H2C-13-N
  511382.7154  0.0027 -4.4360 3  112.5414 25  58516 3031212 0      1211 1        C-13-H3C-13-H2C-13-N
  511382.7154  0.0027 -4.4360 3  112.5414 25  58516 3031212 1      1211 2        C-13-H3C-13-H2C-13-N
  511397.4910  0.0500 -2.6040 3  554.6157119 -58516 30359 950      58 949        C-13-H3C-13-H2C-13-N
  511406.1586  0.0026 -4.1584 3  116.2957 27  58516 3031312 1      1311 2        C-13-H3C-13-H2C-13-N
  511406.1586  0.0026 -4.1584 3  116.2957 27  58516 3031312 2      1311 3        C-13-H3C-13-H2C-13-N
  511413.3430  0.0300 -3.7018 3  429.5838 97 -58516 303481236      481137        C-13-H3C-13-H2C-13-N
  511413.3430  0.0300 -3.7018 3  429.5838 97 -58516 303481237      481138        C-13-H3C-13-H2C-13-N
  511430.7390  0.0300 -4.0045 3  120.3388 29 -58516 3031412 2      1411 3        C-13-H3C-13-H2C-13-N
  511430.7390  0.0300 -4.0045 3  120.3388 29 -58516 3031412 3      1411 4        C-13-H3C-13-H2C-13-N
  511456.3930  0.0300 -3.9009 3  124.6706 31 -58516 3031512 3      1511 4        C-13-H3C-13-H2C-13-N
  511456.3930  0.0300 -3.9009 3  124.6706 31 -58516 3031512 4      1511 5        C-13-H3C-13-H2C-13-N
  511482.9710  0.0300 -3.8247 3  129.2912 33 -58516 3031612 4      1611 5        C-13-H3C-13-H2C-13-N
  511482.9710  0.0300 -3.8247 3  129.2912 33 -58516 3031612 5      1611 6        C-13-H3C-13-H2C-13-N
  511493.4950  0.0300 -3.6837 3  415.7264 95 -58516 303471235      471136        C-13-H3C-13-H2C-13-N
  511493.4950  0.0300 -3.6837 3  415.7264 95 -58516 303471236      471137        C-13-H3C-13-H2C-13-N
  511499.4340  0.0300 -3.5143 3  955.3850119 -58516 303592534      582533        C-13-H3C-13-H2C-13-N
  511499.4340  0.0300 -3.5143 3  955.3850119 -58516 303592535      582534        C-13-H3C-13-H2C-13-N
  511510.2630  0.0300 -3.7658 3  134.2006 35 -58516 3031712 5      1711 6        C-13-H3C-13-H2C-13-N
  511510.2630  0.0300 -3.7658 3  134.2006 35 -58516 3031712 6      1711 7        C-13-H3C-13-H2C-13-N
  511538.0610  0.0300 -3.7188 3  139.3988 37 -58516 3031812 6      1811 7        C-13-H3C-13-H2C-13-N
  511538.0610  0.0300 -3.7188 3  139.3988 37 -58516 3031812 7      1811 8        C-13-H3C-13-H2C-13-N
  511564.8960  0.0500 -3.6665 3  402.1575 93 -58516 303461234      461135        C-13-H3C-13-H2C-13-N
  511564.8960  0.0500 -3.6665 3  402.1575 93 -58516 303461235      461136        C-13-H3C-13-H2C-13-N
  511566.3750  0.0500 -3.6805 3  144.8857 39 -58516 3031912 7      1911 8        C-13-H3C-13-H2C-13-N
  511566.3750  0.0500 -3.6805 3  144.8857 39 -58516 3031912 8      1911 9        C-13-H3C-13-H2C-13-N
  511594.6270  0.0500 -3.6490 3  150.6613 41 -58516 3032012 8      2011 9        C-13-H3C-13-H2C-13-N
  511594.6270  0.0500 -3.6490 3  150.6613 41 -58516 3032012 9      201110        C-13-H3C-13-H2C-13-N
  511623.0030  0.0500 -3.6228 3  156.7257 43 -58516 3032112 9      211110        C-13-H3C-13-H2C-13-N
  511623.0030  0.0500 -3.6228 3  156.7257 43 -58516 303211210      211111        C-13-H3C-13-H2C-13-N
  511627.7360  0.0500 -3.6501 3  388.8771 91 -58516 303451233      451134        C-13-H3C-13-H2C-13-N
  511627.7360  0.0500 -3.6501 3  388.8771 91 -58516 303451234      451135        C-13-H3C-13-H2C-13-N
  511651.2040  0.0300 -3.6010 3  163.0789 45 -58516 303221210      221111        C-13-H3C-13-H2C-13-N
  511651.2040  0.0300 -3.6010 3  163.0789 45 -58516 303221211      221112        C-13-H3C-13-H2C-13-N
  511666.0245  0.0510 -5.5636 3 1044.9897129  58516 303642539      652442        C-13-H3C-13-H2C-13-N
  511666.0245  0.0510 -5.5636 3 1044.9897129  58516 303642540      652441        C-13-H3C-13-H2C-13-N
  511678.9200  0.0300 -3.5829 3  169.7208 47 -58516 303231211      231112        C-13-H3C-13-H2C-13-N
  511678.9200  0.0300 -3.5829 3  169.7208 47 -58516 303231212      231113        C-13-H3C-13-H2C-13-N
  511682.7370  0.0300 -3.6347 3  375.8851 89 -58516 303441232      441133        C-13-H3C-13-H2C-13-N
  511682.7370  0.0300 -3.6347 3  375.8851 89 -58516 303441233      441134        C-13-H3C-13-H2C-13-N
  511706.0410  0.0300 -3.5680 3  176.6514 49 -58516 303241212      241113        C-13-H3C-13-H2C-13-N
  511706.0410  0.0300 -3.5680 3  176.6514 49 -58516 303241213      241114        C-13-H3C-13-H2C-13-N
  511729.3566  0.0019 -3.5992 3  992.5631119  58516 303592633      582632        C-13-H3C-13-H2C-13-N
  511729.3566  0.0019 -3.5992 3  992.5631119  58516 303592634      582633        C-13-H3C-13-H2C-13-N
  511730.1910  0.0017 -3.6202 3  363.1817 87  58516 303431231      431132        C-13-H3C-13-H2C-13-N
  511730.1912  0.0017 -3.6202 3  363.1817 87  58516 303431232      431133        C-13-H3C-13-H2C-13-N
  511732.2600  0.0300 -3.5559 3  183.8707 51 -58516 303251213      251114        C-13-H3C-13-H2C-13-N
  511732.2600  0.0300 -3.5559 3  183.8707 51 -58516 303251214      251115        C-13-H3C-13-H2C-13-N
  511757.3220  0.0300 -3.5462 3  191.3788 53 -58516 303261214      261115        C-13-H3C-13-H2C-13-N
  511757.3220  0.0300 -3.5462 3  191.3788 53 -58516 303261215      261116        C-13-H3C-13-H2C-13-N
  511764.7650  0.0300 -2.5200 3  521.5348121 -58516 30360 457      59 456        C-13-H3C-13-H2C-13-N
  511770.5090  0.0300 -3.6066 3  350.7668 85 -58516 303421230      421131        C-13-H3C-13-H2C-13-N
  511770.5090  0.0300 -3.6066 3  350.7668 85 -58516 303421231      421132        C-13-H3C-13-H2C-13-N
  511780.9060  0.0500 -3.5388 3  199.1756 55 -58516 303271215      271116        C-13-H3C-13-H2C-13-N
  511780.9060  0.0500 -3.5388 3  199.1756 55 -58516 303271216      271117        C-13-H3C-13-H2C-13-N
  511795.3590  0.0300 -3.5281 3  153.0770 63 -58516 30331 625      30 526        C-13-H3C-13-H2C-13-N
  511803.0590  0.0500 -3.5333 3  207.2611 57 -58516 303281216      281117        C-13-H3C-13-H2C-13-N
  511803.0590  0.0500 -3.5333 3  207.2611 57 -58516 303281217      281118        C-13-H3C-13-H2C-13-N
  511804.2430  0.0500 -3.5939 3  338.6404 83 -58516 303411229      411130        C-13-H3C-13-H2C-13-N
  511804.2430  0.0500 -3.5939 3  338.6404 83 -58516 303411230      411131        C-13-H3C-13-H2C-13-N
  511823.2260  0.0300 -3.5297 3  215.6353 59 -58516 303291217      291118        C-13-H3C-13-H2C-13-N
  511823.2260  0.0300 -3.5297 3  215.6353 59 -58516 303291218      291119        C-13-H3C-13-H2C-13-N
  511831.5390  0.0300 -3.5823 3  326.8027 81 -58516 303401228      401129        C-13-H3C-13-H2C-13-N
  511831.5390  0.0300 -3.5823 3  326.8027 81 -58516 303401229      401130        C-13-H3C-13-H2C-13-N
  511841.2470  0.0300 -3.5277 3  224.2981 61 -58516 303301218      301119        C-13-H3C-13-H2C-13-N
  511841.2470  0.0300 -3.5277 3  224.2981 61 -58516 303301219      301120        C-13-H3C-13-H2C-13-N
  511853.0620  0.0300 -3.5717 3  315.2534 79 -58516 303391227      391128        C-13-H3C-13-H2C-13-N
  511853.0620  0.0300 -3.5717 3  315.2534 79 -58516 303391228      391129        C-13-H3C-13-H2C-13-N
  511856.6180  0.0300 -3.5274 3  233.2497 63 -58516 303311219      311120        C-13-H3C-13-H2C-13-N
  511856.6180  0.0300 -3.5274 3  233.2497 63 -58516 303311220      311121        C-13-H3C-13-H2C-13-N
  511868.9845  0.0017 -3.5621 3  303.9928 77  58516 303381226      381127        C-13-H3C-13-H2C-13-N
  511868.9845  0.0017 -3.5621 3  303.9928 77  58516 303381227      381128        C-13-H3C-13-H2C-13-N
  511869.3148  0.0017 -3.5285 3  242.4899 65  58516 303321220      321121        C-13-H3C-13-H2C-13-N
  511869.3148  0.0017 -3.5285 3  242.4899 65  58516 303321221      321122        C-13-H3C-13-H2C-13-N
  511878.8610  0.0300 -3.5310 3  252.0188 67 -58516 303331221      331122        C-13-H3C-13-H2C-13-N
  511878.8610  0.0300 -3.5310 3  252.0188 67 -58516 303331222      331123        C-13-H3C-13-H2C-13-N
  511879.7910  0.0300 -3.5535 3  293.0208 75 -58516 303371225      371126        C-13-H3C-13-H2C-13-N
  511879.7910  0.0300 -3.5535 3  293.0208 75 -58516 303371226      371127        C-13-H3C-13-H2C-13-N
  511885.0685  0.0017 -3.5348 3  261.8363 69  58516 303341222      341123        C-13-H3C-13-H2C-13-N
  511885.0685  0.0017 -3.5348 3  261.8363 69  58516 303341223      341124        C-13-H3C-13-H2C-13-N
  511885.8664  0.0017 -3.5461 3  282.3373 73  58516 303361224      361125        C-13-H3C-13-H2C-13-N
  511885.8664  0.0017 -3.5461 3  282.3373 73  58516 303361225      361126        C-13-H3C-13-H2C-13-N
  511887.4780  0.0300 -3.5399 3  271.9425 71 -58516 303351223      351124        C-13-H3C-13-H2C-13-N
  511887.4780  0.0300 -3.5399 3  271.9425 71 -58516 303351224      351125        C-13-H3C-13-H2C-13-N
  511971.7670  0.0500 -3.6874 3 1031.1134119 -58516 303592732      582731        C-13-H3C-13-H2C-13-N
  511971.7670  0.0500 -3.6874 3 1031.1134119 -58516 303592733      582732        C-13-H3C-13-H2C-13-N
  511985.5150  0.0304 -5.3571 3  919.5650119  58516 303592435      602338        C-13-H3C-13-H2C-13-N
  511985.5150  0.0304 -5.3571 3  919.5650119  58516 303592436      602337        C-13-H3C-13-H2C-13-N
  512023.0787  0.0430 -5.5061 3 1332.2292193  58516 30396 492      96 393        C-13-H3C-13-H2C-13-N
  512061.6110  0.0300 -2.4919 3  501.1854117 -58516 30358 553      57 552        C-13-H3C-13-H2C-13-N
  512062.5457  0.0430 -5.5060 3 1332.2293193  58516 30396 592      96 493        C-13-H3C-13-H2C-13-N
  512125.8080  0.0300 -2.5750 3  542.2951119 -58516 30359 852      58 851        C-13-H3C-13-H2C-13-N
  512225.8330  0.0300 -3.7789 3 1071.0264119 -58516 303592831      582830        C-13-H3C-13-H2C-13-N
  512225.8330  0.0300 -3.7789 3 1071.0264119 -58516 303592832      582831        C-13-H3C-13-H2C-13-N
  512274.2515  0.0032 -3.7628 3  288.1910 89  58516 30344 540      43 439        C-13-H3C-13-H2C-13-N
  512278.4022  0.0167 -5.1761 3  802.7735109  58516 303542331      552234        C-13-H3C-13-H2C-13-N
  512278.4022  0.0167 -5.1761 3  802.7735109  58516 303542332      552233        C-13-H3C-13-H2C-13-N
  512344.5190  0.0300 -2.5747 3  542.3207119 -58516 30359 851      58 850        C-13-H3C-13-H2C-13-N
  512399.7970  0.0300 -2.5296 3  522.3186119 -58516 30359 654      58 653        C-13-H3C-13-H2C-13-N
  512408.8340  0.0300 -2.5186 3  521.4059121 -58516 30360 357      59 356        C-13-H3C-13-H2C-13-N
  512491.3460  0.0300 -3.8737 3 1112.2922119 -58516 303592930      582929        C-13-H3C-13-H2C-13-N
  512491.3460  0.0300 -3.8737 3 1112.2922119 -58516 303592931      582930        C-13-H3C-13-H2C-13-N
  512535.7659  0.0083 -5.0228 3  694.6254 99  58516 303492227      502130        C-13-H3C-13-H2C-13-N
  512535.7659  0.0083 -5.0228 3  694.6254 99  58516 303492228      502129        C-13-H3C-13-H2C-13-N
  512579.5055  0.0033 -5.7619 3   50.9162 37  58516 30318 514      17 315        C-13-H3C-13-H2C-13-N
  512748.4901  0.0040 -4.9005 3  595.1296 89  58516 303442123      452026        C-13-H3C-13-H2C-13-N
  512748.4901  0.0040 -4.9005 3  595.1296 89  58516 303442124      452025        C-13-H3C-13-H2C-13-N
  512767.8380  0.0300 -3.9718 3 1154.9010119 -58516 303593029      583028        C-13-H3C-13-H2C-13-N
  512767.8380  0.0300 -3.9718 3 1154.9010119 -58516 303593030      583029        C-13-H3C-13-H2C-13-N
  512823.9138  0.0037 -5.2587 3  227.6839 39  58516 3031916 3      2015 6        C-13-H3C-13-H2C-13-N
  512823.9138  0.0037 -5.2587 3  227.6839 39  58516 3031916 4      2015 5        C-13-H3C-13-H2C-13-N
  512860.2570  0.0300 -2.5496 3  531.6007119 -58516 30359 753      58 752        C-13-H3C-13-H2C-13-N
  512907.3577  0.0031 -4.8145 3  504.2944 79  58516 303392019      401922        C-13-H3C-13-H2C-13-N
  512907.3577  0.0031 -4.8145 3  504.2944 79  58516 303392020      401921        C-13-H3C-13-H2C-13-N
  512969.8238  0.0037 -4.9161 3  283.8171 49  58516 3032417 7      251610        C-13-H3C-13-H2C-13-N
  512969.8238  0.0037 -4.9161 3  283.8171 49  58516 3032417 8      2516 9        C-13-H3C-13-H2C-13-N
  513003.1675  0.0034 -4.7736 3  422.1268 69  58516 303341915      351818        C-13-H3C-13-H2C-13-N
  513003.1675  0.0034 -4.7736 3  422.1268 69  58516 303341916      351817        C-13-H3C-13-H2C-13-N
  513026.8830  0.0036 -4.7947 3  348.6327 59  58516 303291811      301714        C-13-H3C-13-H2C-13-N
  513026.8830  0.0036 -4.7947 3  348.6327 59  58516 303291812      301713        C-13-H3C-13-H2C-13-N
  513054.9180  0.0300 -4.0732 3 1198.8427119 -58516 303593128      583127        C-13-H3C-13-H2C-13-N
  513054.9180  0.0300 -4.0732 3 1198.8427119 -58516 303593129      583128        C-13-H3C-13-H2C-13-N
  513153.9976  0.0057 -4.8477 3  409.2166105  58516 30352 646      52 349        C-13-H3C-13-H2C-13-N
  513178.0340  0.0300 -3.6591 3  528.2557123 -58516 30361 259      60 358        C-13-H3C-13-H2C-13-N
  513302.0953  0.0069 -5.5794 3  613.4970127  58516 30363 856      63 657        C-13-H3C-13-H2C-13-N
  513352.2359  0.0033 -4.1780 3 1244.1069119  58516 303593227      583226        C-13-H3C-13-H2C-13-N
  513352.2359  0.0033 -4.1780 3 1244.1069119  58516 303593228      583227        C-13-H3C-13-H2C-13-N
  513356.8750  0.0300 -2.5234 3  528.2557123 -58516 30361 359      60 358        C-13-H3C-13-H2C-13-N
  513399.2850  0.0300 -2.5233 3  528.2483123 -58516 30361 259      60 258        C-13-H3C-13-H2C-13-N
  513470.3990  0.0300 -2.5060 3  512.5542119 -58516 30359 455      58 454        C-13-H3C-13-H2C-13-N
  513496.5551  0.0044 -5.1379 3  223.9666 77  58516 30338 632      38 335        C-13-H3C-13-H2C-13-N
  513578.1400  0.0300 -3.6584 3  528.2483123 -58516 30361 359      60 258        C-13-H3C-13-H2C-13-N
  513630.1754  0.0032 -5.3496 3  256.3365 81  58516 30340 734      40 535        C-13-H3C-13-H2C-13-N
  513659.5590  0.0300 -4.2861 3 1290.6834119 -58516 303593326      583325        C-13-H3C-13-H2C-13-N
  513659.5590  0.0300 -4.2861 3 1290.6834119 -58516 303593327      583326        C-13-H3C-13-H2C-13-N
  513976.5350  0.0300 -4.3977 3 1338.5614119 -58516 303593425      583424        C-13-H3C-13-H2C-13-N
  513976.5350  0.0300 -4.3977 3 1338.5614119 -58516 303593426      583425        C-13-H3C-13-H2C-13-N
  514099.3170  0.0300 -3.7723 3  301.1734 91 -58516 30345 541      44 440        C-13-H3C-13-H2C-13-N
  514131.0490  0.0300 -3.9632 3  565.4884125 -58516 30362 458      61 557        C-13-H3C-13-H2C-13-N
  514303.0328  0.0093 -4.5126 3 1387.7303119  58516 303593524      583523        C-13-H3C-13-H2C-13-N
  514303.0328  0.0093 -4.5126 3 1387.7303119  58516 303593525      583524        C-13-H3C-13-H2C-13-N
  514421.2928  0.0596 -6.0190 3 1067.9219175  58516 30387 285      87 286        C-13-H3C-13-H2C-13-N
  514421.3067  0.0596 -5.2569 3 1067.9219175  58516 30387 285      87 186        C-13-H3C-13-H2C-13-N
  514421.8660  0.0596 -5.2569 3 1067.9219175  58516 30387 385      87 286        C-13-H3C-13-H2C-13-N
  514421.8799  0.0596 -6.0190 3 1067.9219175  58516 30387 385      87 186        C-13-H3C-13-H2C-13-N
  514590.7770  0.0300 -2.5473 3  531.8540119 -58516 30359 752      58 751        C-13-H3C-13-H2C-13-N
  514638.7335  0.0145 -4.6310 3 1438.1792119  58516 303593623      583622        C-13-H3C-13-H2C-13-N
  514638.7335  0.0145 -4.6310 3 1438.1792119  58516 303593624      583623        C-13-H3C-13-H2C-13-N
  514729.9950  0.0500 -3.4540 3  120.6950 53 -58516 30326 720      25 619        C-13-H3C-13-H2C-13-N
  514734.2249  0.0018 -3.4540 3  120.6949 53  58516 30326 719      25 620        C-13-H3C-13-H2C-13-N
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  514946.0660  0.0300 -2.5244 3  533.7922125 -58516 30362 261      61 260        C-13-H3C-13-H2C-13-N
  514947.5560  0.0300 -2.5244 3  533.7920125 -58516 30362 161      61 160        C-13-H3C-13-H2C-13-N
  514952.7600  0.0300 -3.5868 3  533.7920125 -58516 30362 261      61 160        C-13-H3C-13-H2C-13-N
  514983.4510  0.0221 -4.7529 3 1489.8971119  58516 303593722      583721        C-13-H3C-13-H2C-13-N
  514983.4510  0.0221 -4.7529 3 1489.8971119  58516 303593723      583722        C-13-H3C-13-H2C-13-N
  515336.9863  0.0326 -4.8784 3 1542.8729119  58516 303593821      583820        C-13-H3C-13-H2C-13-N
  515336.9863  0.0326 -4.8784 3 1542.8729119  58516 303593822      583821        C-13-H3C-13-H2C-13-N
  515433.5835  0.0056 -5.6113 3  127.1950 59  58516 30329 525      29 228        C-13-H3C-13-H2C-13-N
  515619.3020  0.1114 -5.3257 3  956.7262167  58516 30383 182      83 083        C-13-H3C-13-H2C-13-N
  515619.3375  0.1114 -5.3257 3  956.7262167  58516 30383 282      83 183        C-13-H3C-13-H2C-13-N
  515628.8820  0.0300 -3.7506 3  521.4059121 -58516 30360 457      59 356        C-13-H3C-13-H2C-13-N
  515645.7626  0.0030 -4.9894 3   81.4650 49  58516 30324 421      23 122        C-13-H3C-13-H2C-13-N
  515699.1522  0.0467 -5.0075 3 1597.0953119  58516 303593920      583919        C-13-H3C-13-H2C-13-N
  515699.1522  0.0467 -5.0075 3 1597.0953119  58516 303593921      583920        C-13-H3C-13-H2C-13-N
  515758.6710  0.0300 -3.7812 3  314.4482 93 -58516 30346 542      45 441        C-13-H3C-13-H2C-13-N
  516069.7719  0.0652 -5.1402 3 1652.5530119  58516 303594019      584018        C-13-H3C-13-H2C-13-N
  516069.7719  0.0652 -5.1402 3 1652.5530119  58516 303594020      584019        C-13-H3C-13-H2C-13-N
  516113.9063  0.0102 -4.8658 3  113.5606 59  58516 30329 227      28 128        C-13-H3C-13-H2C-13-N
  516386.7100  0.0300 -3.6684 3  194.2420 73 -58516 30336 531      35 432        C-13-H3C-13-H2C-13-N
  516397.4720  0.0300 -3.4105 3   97.1370 43 -58516 30321 814      20 713        C-13-H3C-13-H2C-13-N
  516397.4720  0.0300 -3.4105 3   97.1370 43 -58516 30321 813      20 714        C-13-H3C-13-H2C-13-N
  516448.6779  0.0891 -5.2768 3 1709.2344119  58516 303594118      584117        C-13-H3C-13-H2C-13-N
  516448.6779  0.0891 -5.2768 3 1709.2344119  58516 303594119      584118        C-13-H3C-13-H2C-13-N
  516494.5440  0.0032 -5.3549 3  244.6674 79  58516 30339 733      39 534        C-13-H3C-13-H2C-13-N
  516502.5839  0.0102 -5.5688 3  113.5477 59  58516 30329 227      28 028        C-13-H3C-13-H2C-13-N
  516597.0321  0.0038 -3.5282 3  538.2533127  58516 30363 063      62 162        C-13-H3C-13-H2C-13-N
  516597.1120  0.0300 -2.5231 3  538.2533127 -58516 30363 163      62 162        C-13-H3C-13-H2C-13-N
  516597.1120  0.0300 -2.5231 3  538.2533127 -58516 30363 063      62 062        C-13-H3C-13-H2C-13-N
  516597.1848  0.0038 -3.5282 3  538.2533127  58516 30363 163      62 062        C-13-H3C-13-H2C-13-N
  516670.8308  0.0443 -5.7822 3 1516.5338205  58516 303A2 597      A2 498        C-13-H3C-13-H2C-13-N
  516835.7111  0.1196 -5.4172 3 1767.1280119  58516 303594218      584217        C-13-H3C-13-H2C-13-N
  516835.7112  0.1196 -5.4172 3 1767.1280119  58516 303594217      584216        C-13-H3C-13-H2C-13-N
  516849.7418  0.0442 -5.7819 3 1516.5342205  58516 303A2 697      A2 598        C-13-H3C-13-H2C-13-N
  517200.2680  0.0300 -3.7702 3  538.6054123 -58516 30361 358      60 457        C-13-H3C-13-H2C-13-N
  517230.7205  0.1580 -5.5617 3 1826.2220119  58516 303594316      584315        C-13-H3C-13-H2C-13-N
  517230.7205  0.1580 -5.5617 3 1826.2220119  58516 303594317      584316        C-13-H3C-13-H2C-13-N
  517298.6990  0.0300 -3.7895 3  328.0131 95 -58516 30347 543      46 442        C-13-H3C-13-H2C-13-N
  517470.8648  0.0033 -5.6967 3   56.2442 39  58516 30319 514      18 315        C-13-H3C-13-H2C-13-N
  517502.6680  0.0300 -2.5302 3  530.6895121 -58516 30360 556      59 555        C-13-H3C-13-H2C-13-N
  517537.1760  0.0300 -3.3837 3   82.3141 33 -58516 30316 9 7      15 8 8        C-13-H3C-13-H2C-13-N
  517537.1760  0.0300 -3.3837 3   82.3141 33 -58516 30316 9 8      15 8 7        C-13-H3C-13-H2C-13-N
  517550.9204  0.0468 -5.3689 3 1209.6551185  58516 30392 389      92 290        C-13-H3C-13-H2C-13-N
  517555.7486  0.0468 -5.3688 3 1209.6551185  58516 30392 489      92 390        C-13-H3C-13-H2C-13-N
  517569.7076  0.0029 -4.7907 3  167.5468 69  58516 30334 430      33 231        C-13-H3C-13-H2C-13-N
  517633.5623  0.2059 -5.7104 3 1886.5046119  58516 303594415      584414        C-13-H3C-13-H2C-13-N
  517633.5623  0.2059 -5.7104 3 1886.5046119  58516 303594416      584415        C-13-H3C-13-H2C-13-N
  518044.0999  0.2651 -5.8635 3 1947.9638119  58516 303594514      584513        C-13-H3C-13-H2C-13-N
  518044.0999  0.2651 -5.8635 3 1947.9638119  58516 303594515      584514        C-13-H3C-13-H2C-13-N
  518422.1074  0.0448 -5.5515 3 1359.2227195  58516 30397 493      97 394        C-13-H3C-13-H2C-13-N
  518452.7820  0.0300 -3.3574 3   76.1924 23 -58516 3031110 1      10 9 2        C-13-H3C-13-H2C-13-N
  518452.7820  0.0300 -3.3574 3   76.1924 23 -58516 3031110 2      10 9 1        C-13-H3C-13-H2C-13-N
  518454.5168  0.0448 -5.5515 3 1359.2228195  58516 30397 593      97 494        C-13-H3C-13-H2C-13-N
  518631.1071  0.0045 -5.1886 3  212.7835 75  58516 30337 631      37 334        C-13-H3C-13-H2C-13-N
  518637.4292  0.0359 -5.4006 3 1141.8063175  58516 30387 879      86 978        C-13-H3C-13-H2C-13-N
  518726.7810  0.0300 -2.8596 3  678.0763121 -58516 303601545      591544        C-13-H3C-13-H2C-13-N
  518726.7810  0.0300 -2.8596 3  678.0763121 -58516 303601546      591545        C-13-H3C-13-H2C-13-N
  518741.4170  0.0300 -2.8111 3  656.5824121 -58516 303601446      591445        C-13-H3C-13-H2C-13-N
  518741.4170  0.0300 -2.8111 3  656.5824121 -58516 303601447      591446        C-13-H3C-13-H2C-13-N
  518753.7480  0.0300 -2.9114 3  701.0416121 -58516 303601644      591643        C-13-H3C-13-H2C-13-N
  518753.7480  0.0300 -2.9114 3  701.0416121 -58516 303601645      591644        C-13-H3C-13-H2C-13-N
  518767.1660  0.0300 -3.7973 3  341.8659 97 -58516 30348 544      47 443        C-13-H3C-13-H2C-13-N
  518808.2370  0.0300 -2.7659 3  636.5708121 -58516 303601348      591347        C-13-H3C-13-H2C-13-N
  518808.2370  0.0300 -2.7659 3  636.5708121 -58516 303601347      591346        C-13-H3C-13-H2C-13-N
  518814.8790  0.0300 -2.9665 3  725.4686121 -58516 303601743      591742        C-13-H3C-13-H2C-13-N
  518814.8790  0.0300 -2.9665 3  725.4686121 -58516 303601744      591743        C-13-H3C-13-H2C-13-N
  518904.8000  0.0300 -3.0248 3  751.3482121 -58516 303601842      591841        C-13-H3C-13-H2C-13-N
  518904.8000  0.0300 -3.0248 3  751.3482121 -58516 303601843      591842        C-13-H3C-13-H2C-13-N
  518942.8400  0.0300 -2.7239 3  618.0543121 -58516 303601249      591248        C-13-H3C-13-H2C-13-N
  518942.8400  0.0300 -2.7239 3  618.0543121 -58516 303601248      591247        C-13-H3C-13-H2C-13-N
  519019.5580  0.0300 -3.0865 3  778.6715121 -58516 303601941      591940        C-13-H3C-13-H2C-13-N
  519019.5580  0.0300 -3.0865 3  778.6715121 -58516 303601942      591941        C-13-H3C-13-H2C-13-N
  519026.6635  0.0031 -5.3620 3  233.3002 77  58516 30338 732      38 533        C-13-H3C-13-H2C-13-N
  519091.8120  0.0300 -3.5283 3  162.0911 65 -58516 30332 627      31 526        C-13-H3C-13-H2C-13-N
  519156.1480  0.0300 -3.1514 3  807.4301121 -58516 303602040      592039        C-13-H3C-13-H2C-13-N
  519156.1480  0.0300 -3.1514 3  807.4301121 -58516 303602041      592040        C-13-H3C-13-H2C-13-N
  519169.2710  0.0300 -2.6852 3  601.0491121 -58516 303601150      591149        C-13-H3C-13-H2C-13-N
  519169.2710  0.0300 -2.6852 3  601.0491121 -58516 303601149      591148        C-13-H3C-13-H2C-13-N
  519244.3984  0.1223 -6.0007 3 1300.0466147  58516 303732746      742649        C-13-H3C-13-H2C-13-N
  519244.3984  0.1223 -6.0007 3 1300.0466147  58516 303732747      742648        C-13-H3C-13-H2C-13-N
  519312.2570  0.0300 -3.2197 3  837.6152121 -58516 303602139      592138        C-13-H3C-13-H2C-13-N
  519312.2570  0.0300 -3.2197 3  837.6152121 -58516 303602140      592139        C-13-H3C-13-H2C-13-N
  519351.4250  0.0300 -2.5208 3  523.8405119 -58516 30359 653      58 652        C-13-H3C-13-H2C-13-N
  519486.0700  0.0500 -3.2911 3  869.2182121 -58516 303602238      592237        C-13-H3C-13-H2C-13-N
  519486.0700  0.0500 -3.2911 3  869.2182121 -58516 303602239      592238        C-13-H3C-13-H2C-13-N
  519494.7600  0.0049 -3.9447 3  188.3359 73  58516 30336 432      35 333        C-13-H3C-13-H2C-13-N
  519525.9530  0.0500 -2.6498 3  585.5772121 -58516 303601051      591050        C-13-H3C-13-H2C-13-N
  519527.5750  0.0500 -2.6498 3  585.5774121 -58516 303601050      591049        C-13-H3C-13-H2C-13-N
  519637.9233  0.0807 -5.7516 3 1158.8252137  58516 303682642      692545        C-13-H3C-13-H2C-13-N
  519637.9233  0.0807 -5.7516 3 1158.8252137  58516 303682643      692544        C-13-H3C-13-H2C-13-N
  519676.2100  0.0500 -3.3659 3  902.2305121 -58516 303602337      592336        C-13-H3C-13-H2C-13-N
  519676.2100  0.0500 -3.3659 3  902.2305121 -58516 303602338      592337        C-13-H3C-13-H2C-13-N
  519717.8804  0.0074 -5.7454 3  357.7391 99  58516 30349 544      49 347        C-13-H3C-13-H2C-13-N
  519724.0363  0.0089 -5.3504 3  270.8549 87  58516 30343 439      43 142        C-13-H3C-13-H2C-13-N
  519877.8760  0.0500 -2.5349 3  538.6054123 -58516 30361 458      60 457        C-13-H3C-13-H2C-13-N
  519881.4060  0.0300 -3.4439 3  936.6430121 -58516 303602436      592435        C-13-H3C-13-H2C-13-N
  519881.4060  0.0300 -3.4439 3  936.6430121 -58516 303602437      592436        C-13-H3C-13-H2C-13-N
  519947.1382  0.0145 -5.8848 3  195.4400 75  58516 30337 334      37 037        C-13-H3C-13-H2C-13-N
  520018.9684  0.0510 -5.5256 3 1026.2159127  58516 303632538      642441        C-13-H3C-13-H2C-13-N
  520018.9684  0.0510 -5.5256 3 1026.2159127  58516 303632539      642440        C-13-H3C-13-H2C-13-N
  520073.0590  0.0300 -2.6176 3  571.6716121 -58516 30360 952      59 951        C-13-H3C-13-H2C-13-N
  520097.3210  0.0300 -2.6176 3  571.6741121 -58516 30360 951      59 950        C-13-H3C-13-H2C-13-N
  520100.7250  0.0300 -3.5253 3  972.4468121 -58516 303602535      592534        C-13-H3C-13-H2C-13-N
  520100.7250  0.0300 -3.5253 3  972.4468121 -58516 303602536      592535        C-13-H3C-13-H2C-13-N
  520180.0310  0.0300 -3.5270 3  162.0573 65 -58516 30332 626      31 527        C-13-H3C-13-H2C-13-N
  520212.9608  0.0031 -3.8045 3  356.0040 99  58516 30349 545      48 444        C-13-H3C-13-H2C-13-N
  520333.4700  0.0500 -3.6098 3 1009.6326121 -58516 303602634      592633        C-13-H3C-13-H2C-13-N
  520333.4700  0.0500 -3.6098 3 1009.6326121 -58516 303602635      592634        C-13-H3C-13-H2C-13-N
  520379.1514  0.0304 -5.3239 3  902.2305117  58516 303582434      592337        C-13-H3C-13-H2C-13-N
  520379.1514  0.0304 -5.3239 3  902.2305117  58516 303582435      592336        C-13-H3C-13-H2C-13-N
  520397.3938  0.0065 -5.5548 3  440.2515109  58516 30354 648      54 451        C-13-H3C-13-H2C-13-N
  520420.3040  0.0300 -2.5338 3  538.4980123 -58516 30361 358      60 357        C-13-H3C-13-H2C-13-N
  520578.8420  0.0300 -3.6977 3 1048.1910121 -58516 303602733      592732        C-13-H3C-13-H2C-13-N
  520578.8420  0.0300 -3.6977 3 1048.1910121 -58516 303602734      592733        C-13-H3C-13-H2C-13-N
  520590.0010  0.0300 -2.5059 3  518.2660119 -58516 30359 554      58 553        C-13-H3C-13-H2C-13-N
  520709.7645  0.0167 -5.1482 3  786.8799107  58516 303532330      542233        C-13-H3C-13-H2C-13-N
  520709.7645  0.0167 -5.1482 3  786.8799107  58516 303532331      542232        C-13-H3C-13-H2C-13-N
  520762.8484  0.0620 -5.2966 3 1092.0906177  58516 30388 286      88 187        C-13-H3C-13-H2C-13-N
  520763.2952  0.0620 -5.2966 3 1092.0906177  58516 30388 386      88 287        C-13-H3C-13-H2C-13-N
  520788.9964  0.0060 -4.8662 3  424.4474107  58516 30353 647      53 350        C-13-H3C-13-H2C-13-N
  520836.3940  0.0300 -3.7888 3 1088.1124121 -58516 303602832      592831        C-13-H3C-13-H2C-13-N
  520836.3940  0.0300 -3.7888 3 1088.1124121 -58516 303602833      592832        C-13-H3C-13-H2C-13-N
  520851.7600  0.0300 -2.5886 3  559.3778121 -58516 30360 853      59 852        C-13-H3C-13-H2C-13-N
  520916.0000  0.0300 -2.5437 3  539.4104121 -58516 30360 655      59 654        C-13-H3C-13-H2C-13-N
  521001.8444  0.0083 -5.0009 3  680.1740 97  58516 303482226      492129        C-13-H3C-13-H2C-13-N
  521001.8444  0.0083 -5.0009 3  680.1740 97  58516 303482227      492128        C-13-H3C-13-H2C-13-N
  521105.5430  0.0300 -3.8832 3 1129.3871121 -58516 303602931      592930        C-13-H3C-13-H2C-13-N
  521105.5430  0.0300 -3.8832 3 1129.3871121 -58516 303602932      592931        C-13-H3C-13-H2C-13-N
  521125.7580  0.0300 -2.5883 3  559.4107121 -58516 30360 852      59 851        C-13-H3C-13-H2C-13-N
  521139.6767  0.0037 -5.3310 3  345.2684 95  58516 30347 740      47 543        C-13-H3C-13-H2C-13-N
  521147.7260  0.0036 -5.3273 3  331.6521 93  58516 30346 739      46 542        C-13-H3C-13-H2C-13-N
  521180.7777  0.0033 -5.6951 3   56.1201 39  58516 30319 515      18 316        C-13-H3C-13-H2C-13-N
  521246.2549  0.0040 -4.8858 3  582.1217 87  58516 303432122      442025        C-13-H3C-13-H2C-13-N
  521246.2549  0.0040 -4.8858 3  582.1217 87  58516 303432123      442024        C-13-H3C-13-H2C-13-N
  521257.5270  0.0031 -5.3712 3  222.2337 75  58516 30337 731      37 532        C-13-H3C-13-H2C-13-N
  521304.3450  0.0300 -3.6710 3  545.3795125 -58516 30362 260      61 359        C-13-H3C-13-H2C-13-N
  521340.6240  0.0300 -2.5214 3  529.6817121 -58516 30360 456      59 455        C-13-H3C-13-H2C-13-N
  521343.5131  0.0035 -5.3252 3  318.3219 91  58516 30345 738      45 541        C-13-H3C-13-H2C-13-N
  521351.5377  0.0038 -5.3362 3  359.1701 97  58516 30348 741      48 544        C-13-H3C-13-H2C-13-N
  521385.8750  0.0300 -3.9809 3 1172.0051121 -58516 303603030      593029        C-13-H3C-13-H2C-13-N
  521385.8750  0.0300 -3.9809 3 1172.0051121 -58516 303603031      593030        C-13-H3C-13-H2C-13-N
  521433.7854  0.0031 -4.8087 3  492.7310 77  58516 303382018      391921        C-13-H3C-13-H2C-13-N
  521433.7854  0.0031 -4.8087 3  492.7310 77  58516 303382019      391920        C-13-H3C-13-H2C-13-N
  521436.1295  0.0037 -5.4320 3  221.9032 37  58516 3031816 2      1915 5        C-13-H3C-13-H2C-13-N
  521436.1295  0.0037 -5.4320 3  221.9032 37  58516 3031816 3      1915 4        C-13-H3C-13-H2C-13-N
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  521483.2320  0.0300 -2.5386 3  545.3735125 -58516 30362 260      61 259        C-13-H3C-13-H2C-13-N
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  521555.2734  0.0034 -4.7801 3  412.0085 67  58516 303331915      341816        C-13-H3C-13-H2C-13-N
  521558.4600  0.0300 -2.5635 3  548.7079121 -58516 30360 754      59 753        C-13-H3C-13-H2C-13-N
  521564.6800  0.0037 -4.9783 3  276.5904 47  58516 3032317 6      2416 9        C-13-H3C-13-H2C-13-N
  521564.6800  0.0037 -4.9783 3  276.5904 47  58516 3032317 7      2416 8        C-13-H3C-13-H2C-13-N
  521601.7585  0.0037 -4.8202 3  339.9601 57  58516 303281810      291713        C-13-H3C-13-H2C-13-N
  521601.7585  0.0037 -4.8202 3  339.9601 57  58516 303281811      291712        C-13-H3C-13-H2C-13-N
  521627.7080  0.0300 -3.6705 3  545.3735125 -58516 30362 360      61 259        C-13-H3C-13-H2C-13-N
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  521677.0790  0.0300 -4.0819 3 1215.9564121 -58516 303603130      593129        C-13-H3C-13-H2C-13-N
  521685.6480  0.0300 -3.8111 3  370.4250101 -58516 30350 546      49 445        C-13-H3C-13-H2C-13-N
  521697.0262  0.0034 -5.3247 3  305.2786 89  58516 30344 737      44 540        C-13-H3C-13-H2C-13-N
  521817.6269  0.0039 -5.3430 3  373.3564 99  58516 30349 742      49 545        C-13-H3C-13-H2C-13-N
  521821.3915  0.0073 -5.0468 3  357.6690 99  58516 30349 544      49 247        C-13-H3C-13-H2C-13-N
  521970.2327  0.0065 -5.5582 3  594.9611125  58516 30362 855      62 656        C-13-H3C-13-H2C-13-N
  521970.7242  0.1163 -5.3627 3  979.6115169  58516 30384 183      84 084        C-13-H3C-13-H2C-13-N
  521970.7523  0.1163 -5.3627 3  979.6115169  58516 30384 283      84 184        C-13-H3C-13-H2C-13-N
  521978.7390  0.0300 -4.1862 3 1261.2305121 -58516 303603228      593227        C-13-H3C-13-H2C-13-N
  521978.7390  0.0300 -4.1862 3 1261.2305121 -58516 303603229      593228        C-13-H3C-13-H2C-13-N
  522180.4295  0.0033 -5.3257 3  292.5229 87  58516 30343 736      43 539        C-13-H3C-13-H2C-13-N
  522290.5660  0.0041 -4.2938 3 1307.8172121  58516 303603327      593326        C-13-H3C-13-H2C-13-N
  522290.5660  0.0041 -4.2938 3 1307.8172121  58516 303603328      593327        C-13-H3C-13-H2C-13-N
  522574.3941  0.0041 -5.3515 3  387.8265101  58516 30350 743      50 546        C-13-H3C-13-H2C-13-N
  522612.2440  0.0300 -4.4048 3 1355.7058121 -58516 303603426      593425        C-13-H3C-13-H2C-13-N
  522612.2440  0.0300 -4.4048 3 1355.7058121 -58516 303603427      593426        C-13-H3C-13-H2C-13-N
  522665.0949  0.0041 -5.3386 3   96.0019 53  58516 30326 423      25 224        C-13-H3C-13-H2C-13-N
  522717.5361  0.0077 -4.3428 3  153.4778 67  58516 30333 330      32 231        C-13-H3C-13-H2C-13-N
  522768.0758  0.0033 -5.3282 3  280.0554 85  58516 30342 735      42 538        C-13-H3C-13-H2C-13-N
  522879.6084  0.0533 -5.8391 3 1364.0231191  58516 30395 986      941085        C-13-H3C-13-H2C-13-N
  522943.6805  0.0094 -4.5191 3 1404.8856121  58516 303603525      593524        C-13-H3C-13-H2C-13-N
  522943.6805  0.0094 -4.5191 3 1404.8856121  58516 303603526      593525        C-13-H3C-13-H2C-13-N
  523036.8200  0.0300 -3.6009 3  550.9690127 -58516 30363 162      62 261        C-13-H3C-13-H2C-13-N
  523040.9550  0.0500 -2.5400 3  550.9690127 -58516 30363 262      62 261        C-13-H3C-13-H2C-13-N
  523042.1860  0.0500 -2.5400 3  550.9688127 -58516 30363 162      62 161        C-13-H3C-13-H2C-13-N
  523046.3270  0.0300 -3.6009 3  550.9688127 -58516 30363 262      62 161        C-13-H3C-13-H2C-13-N
  523097.9170  0.0300 -3.7600 3  538.4980123 -58516 30361 458      60 357        C-13-H3C-13-H2C-13-N
  523144.2204  0.0461 -5.8314 3 1545.3334207  58516 303A3 598      A3 499        C-13-H3C-13-H2C-13-N
  523217.7519  0.0030 -5.3823 3  211.4668 73  58516 30336 730      36 531        C-13-H3C-13-H2C-13-N
  523234.9090  0.0300 -3.8173 3  385.1264103 -58516 30351 547      50 446        C-13-H3C-13-H2C-13-N
  523270.8318  0.0018 -3.4477 3  128.2111 55  58516 30327 721      26 620        C-13-H3C-13-H2C-13-N
  523277.8012  0.0018 -3.4477 3  128.2109 55  58516 30327 720      26 621        C-13-H3C-13-H2C-13-N
  523284.4652  0.0148 -4.6369 3 1455.3457121  58516 303603624      593623        C-13-H3C-13-H2C-13-N
  523284.4652  0.0148 -4.6369 3 1455.3457121  58516 303603625      593624        C-13-H3C-13-H2C-13-N
  523293.1035  0.0460 -5.8311 3 1545.3338207  58516 303A3 698      A3 599        C-13-H3C-13-H2C-13-N
  523436.5132  0.0032 -5.3324 3  267.8766 83  58516 30341 734      41 537        C-13-H3C-13-H2C-13-N
  523613.0480  0.0300 -2.5607 3  549.0189121 -58516 30360 753      59 752        C-13-H3C-13-H2C-13-N
  523634.4365  0.0225 -4.7580 3 1507.0751121  58516 303603723      593722        C-13-H3C-13-H2C-13-N
  523634.4365  0.0225 -4.7580 3 1507.0751121  58516 303603724      593723        C-13-H3C-13-H2C-13-N
  523660.4080  0.0042 -5.3616 3  402.5796103  58516 30351 744      51 547        C-13-H3C-13-H2C-13-N
  523900.0018  0.0489 -5.4118 3 1235.3712187  58516 30393 390      93 291        C-13-H3C-13-H2C-13-N
  523903.9120  0.0489 -5.4118 3 1235.3712187  58516 30393 490      93 391        C-13-H3C-13-H2C-13-N
  523970.7648  0.0104 -5.8961 3  147.2317 65  58516 30332 429      32 132        C-13-H3C-13-H2C-13-N
  523993.3888  0.0332 -4.8827 3 1560.0627121  58516 303603822      593821        C-13-H3C-13-H2C-13-N
  523993.3888  0.0332 -4.8827 3 1560.0627121  58516 303603823      593822        C-13-H3C-13-H2C-13-N
  524026.3958  0.0046 -5.2415 3  201.8845 73  58516 30336 630      36 333        C-13-H3C-13-H2C-13-N
  524164.4836  0.0031 -5.3381 3  255.9871 81  58516 30340 733      40 536        C-13-H3C-13-H2C-13-N
  524361.1286  0.0475 -5.0108 3 1614.2972121  58516 303603921      593920        C-13-H3C-13-H2C-13-N
  524361.1286  0.0475 -5.0108 3 1614.2972121  58516 303603922      593921        C-13-H3C-13-H2C-13-N
  524547.2951  0.0247 -6.0005 3 1741.9531213  58516 303A61393      A61294        C-13-H3C-13-H2C-13-N
  524693.8443  0.0039 -3.5436 3  555.4851129  58516 30364 064      63 163        C-13-H3C-13-H2C-13-N
  524693.9100  0.0300 -2.5389 3  555.4851129 -58516 30364 164      63 163        C-13-H3C-13-H2C-13-N
  524693.9100  0.0300 -2.5389 3  555.4851129 -58516 30364 064      63 063        C-13-H3C-13-H2C-13-N
  524693.9628  0.0039 -3.5436 3  555.4851129  58516 30364 164      63 063        C-13-H3C-13-H2C-13-N
  524737.4736  0.0662 -5.1426 3 1669.7672121  58516 303604020      594019        C-13-H3C-13-H2C-13-N
  524737.4736  0.0662 -5.1426 3 1669.7672121  58516 303604021      594020        C-13-H3C-13-H2C-13-N
  524808.9226  0.0467 -5.5977 3 1386.4823197  58516 30398 494      98 395        C-13-H3C-13-H2C-13-N
  524809.7555  0.0033 -5.6343 3   61.7804 41  58516 30320 515      19 316        C-13-H3C-13-H2C-13-N
  524835.5263  0.0467 -5.5976 3 1386.4824197  58516 30398 594      98 495        C-13-H3C-13-H2C-13-N
  524909.9200  0.0300 -3.8231 3  400.1057105 -58516 30352 548      51 447        C-13-H3C-13-H2C-13-N
  524932.9084  0.0031 -5.3454 3  244.3874 79  58516 30339 732      39 535        C-13-H3C-13-H2C-13-N
  524936.6797  0.0030 -5.3955 3  200.9985 71  58516 30335 729      35 530        C-13-H3C-13-H2C-13-N
  525033.2800  0.0300 -3.4005 3  103.2016 45 -58516 30322 815      21 714        C-13-H3C-13-H2C-13-N
  525033.2800  0.0300 -3.4005 3  103.2016 45 -58516 30322 814      21 715        C-13-H3C-13-H2C-13-N
  525073.1040  0.0300 -3.9621 3  583.2995127 -58516 30363 459      62 558        C-13-H3C-13-H2C-13-N
  525116.3419  0.0043 -5.3735 3  417.6149105  58516 30352 745      52 548        C-13-H3C-13-H2C-13-N
  525122.2508  0.0905 -5.2780 3 1726.4613121  58516 303604119      594118        C-13-H3C-13-H2C-13-N
  525122.2508  0.0905 -5.2780 3 1726.4613121  58516 303604120      594119        C-13-H3C-13-H2C-13-N
  525377.5490  0.0300 -4.2576 3  666.9591135 -58516 30367 562      66 661        C-13-H3C-13-H2C-13-N
  525515.2963  0.1215 -5.4172 3 1784.3678121  58516 303604218      594217        C-13-H3C-13-H2C-13-N
  525515.2963  0.1215 -5.4172 3 1784.3678121  58516 303604219      594218        C-13-H3C-13-H2C-13-N
  525600.5188  0.0031 -4.9114 3   88.3732 51  58516 30325 422      24 123        C-13-H3C-13-H2C-13-N
  525724.8586  0.0031 -5.3544 3  233.0778 77  58516 30338 731      38 534        C-13-H3C-13-H2C-13-N
  525742.6010  0.0300 -2.5455 3  547.9516123 -58516 30361 557      60 556        C-13-H3C-13-H2C-13-N
  525747.8309  0.0074 -5.6125 3   98.3591 55  58516 30327 325      26 126        C-13-H3C-13-H2C-13-N
  525761.4560  0.0300 -3.7788 3  555.9467125 -58516 30362 359      61 458        C-13-H3C-13-H2C-13-N
  525916.4543  0.1604 -5.5602 3 1843.4750121  58516 303604317      594316        C-13-H3C-13-H2C-13-N
  525916.4543  0.1604 -5.5602 3 1843.4750121  58516 303604318      594317        C-13-H3C-13-H2C-13-N
  526202.3800  0.0300 -3.3716 3   86.9332 35 -58516 30317 9 8      16 8 9        C-13-H3C-13-H2C-13-N
  526202.3800  0.0300 -3.3716 3   86.9332 35 -58516 30317 9 9      16 8 8        C-13-H3C-13-H2C-13-N
  526221.4173  0.0221 -5.9397 3 1711.4450211  58516 303A51392      A51293        C-13-H3C-13-H2C-13-N
  526325.5766  0.2091 -5.7073 3 1903.7710121  58516 303604416      594415        C-13-H3C-13-H2C-13-N
  526325.5766  0.2091 -5.7073 3 1903.7710121  58516 303604417      594416        C-13-H3C-13-H2C-13-N
  526361.7175  0.0073 -4.9233 3   98.3386 55  58516 30327 325      26 026        C-13-H3C-13-H2C-13-N
  526441.7557  0.0030 -5.4107 3  190.8276 69  58516 30334 728      34 529        C-13-H3C-13-H2C-13-N
  526525.5087  0.0030 -5.3650 3  222.0587 75  58516 30337 730      37 533        C-13-H3C-13-H2C-13-N
  526703.9120  0.0110 -4.6114 3  797.3140147  58516 30373 667      72 766        C-13-H3C-13-H2C-13-N
  526733.2941  0.0073 -5.0530 3  153.3439 67  58516 30333 330      32 131        C-13-H3C-13-H2C-13-N
  526742.5225  0.2692 -5.8585 3 1965.2439121  58516 303604515      594514        C-13-H3C-13-H2C-13-N
  526742.5225  0.2692 -5.8585 3 1965.2439121  58516 303604516      594515        C-13-H3C-13-H2C-13-N
  526758.3490  0.0500 -3.8287 3  415.3606107 -58516 30353 549      52 448        C-13-H3C-13-H2C-13-N
  526857.9030  0.0500 -3.6781 3  204.6596 75 -58516 30337 532      36 433        C-13-H3C-13-H2C-13-N
  526984.9535  0.0045 -5.3872 3  432.9313107  58516 30353 746      53 549        C-13-H3C-13-H2C-13-N
  527055.5131  0.0207 -5.9965 3 1741.8593213  58516 303A61394      A61295        C-13-H3C-13-H2C-13-N
  527083.2600  0.0500 -3.5289 3  171.3747 67 -58516 30333 628      32 527        C-13-H3C-13-H2C-13-N
  527098.3735  0.0645 -5.3369 3 1116.5269179  58516 30389 287      89 188        C-13-H3C-13-H2C-13-N
  527098.7304  0.0645 -5.3369 3 1116.5269179  58516 30389 387      89 288        C-13-H3C-13-H2C-13-N
  527124.2780  0.0300 -3.3468 3   79.3680 25 -58516 3031210 2      11 9 3        C-13-H3C-13-H2C-13-N
  527124.2780  0.0300 -3.3468 3   79.3680 25 -58516 3031210 3      11 9 2        C-13-H3C-13-H2C-13-N
  527322.0712  0.0030 -5.3775 3  211.3304 73  58516 30336 729      36 532        C-13-H3C-13-H2C-13-N
  527326.2940  0.0300 -2.8735 3  695.3792123 -58516 303611546      601545        C-13-H3C-13-H2C-13-N
  527326.2940  0.0300 -2.8735 3  695.3792123 -58516 303611547      601546        C-13-H3C-13-H2C-13-N
  527346.7920  0.0300 -2.8251 3  673.8858123 -58516 303611448      601447        C-13-H3C-13-H2C-13-N
  527346.7920  0.0300 -2.8251 3  673.8858123 -58516 303611447      601446        C-13-H3C-13-H2C-13-N
  527349.1410  0.0300 -2.9252 3  718.3454123 -58516 303611645      601644        C-13-H3C-13-H2C-13-N
  527349.1410  0.0300 -2.9252 3  718.3454123 -58516 303611646      601645        C-13-H3C-13-H2C-13-N
  527407.5080  0.0300 -2.9801 3  742.7744123 -58516 303611744      601743        C-13-H3C-13-H2C-13-N
  527407.5080  0.0300 -2.9801 3  742.7744123 -58516 303611745      601744        C-13-H3C-13-H2C-13-N
  527421.7990  0.0300 -2.7800 3  653.8764123 -58516 303611349      601348        C-13-H3C-13-H2C-13-N
  527421.7990  0.0300 -2.7800 3  653.8764123 -58516 303611348      601347        C-13-H3C-13-H2C-13-N
  527495.7460  0.0300 -3.0384 3  768.6570123 -58516 303611843      601842        C-13-H3C-13-H2C-13-N
  527495.7460  0.0300 -3.0384 3  768.6570123 -58516 303611844      601843        C-13-H3C-13-H2C-13-N
  527513.9340  0.1223 -5.9552 3 1278.6851145  58516 303722745      732648        C-13-H3C-13-H2C-13-N
  527513.9340  0.1223 -5.9552 3 1278.6851145  58516 303722746      732647        C-13-H3C-13-H2C-13-N
  527567.7620  0.0300 -2.7382 3  635.3644123 -58516 303611250      601249        C-13-H3C-13-H2C-13-N
  527567.7620  0.0300 -2.7382 3  635.3644123 -58516 303611249      601248        C-13-H3C-13-H2C-13-N
  527609.7370  0.0300 -3.0998 3  795.9842123 -58516 303611942      601941        C-13-H3C-13-H2C-13-N
  527609.7370  0.0300 -3.0998 3  795.9842123 -58516 303611943      601942        C-13-H3C-13-H2C-13-N
  527746.2890  0.0300 -3.1646 3  824.7473123 -58516 303612041      602040        C-13-H3C-13-H2C-13-N
  527746.2890  0.0300 -3.1646 3  824.7473123 -58516 303612042      602041        C-13-H3C-13-H2C-13-N
  527758.1542  0.0030 -5.4280 3  180.9533 67  58516 30333 727      33 528        C-13-H3C-13-H2C-13-N
  527801.0781  0.0201 -5.8798 3 1681.2243209  58516 303A41391      A41292        C-13-H3C-13-H2C-13-N
  527810.1300  0.0300 -2.6996 3  618.3667123 -58516 303611151      601150        C-13-H3C-13-H2C-13-N
  527810.1300  0.0300 -2.6996 3  618.3667123 -58516 303611150      601149        C-13-H3C-13-H2C-13-N
  527902.9880  0.0300 -3.2326 3  854.9376123 -58516 303612140      602139        C-13-H3C-13-H2C-13-N
  527902.9880  0.0300 -3.2326 3  854.9376123 -58516 303612141      602140        C-13-H3C-13-H2C-13-N
  527953.4708  0.0807 -5.7103 3 1138.8997135  58516 303672641      682544        C-13-H3C-13-H2C-13-N
  527953.4708  0.0807 -5.7103 3 1138.8997135  58516 303672642      682543        C-13-H3C-13-H2C-13-N
  527963.1567  0.0223 -4.9953 3  961.9499161  58516 30380 773      79 872        C-13-H3C-13-H2C-13-N
  527983.6050  0.0300 -2.5508 3  555.9467125 -58516 30362 459      61 458        C-13-H3C-13-H2C-13-N
  528071.9346  0.0058 -5.5526 3  144.4427 63  58516 30331 527      31 230        C-13-H3C-13-H2C-13-N
  528077.9370  0.0300 -3.3039 3  886.5464123 -58516 303612239      602238        C-13-H3C-13-H2C-13-N
  528077.9370  0.0300 -3.3039 3  886.5464123 -58516 303612240      602239        C-13-H3C-13-H2C-13-N
  528103.7128  0.0030 -5.3917 3  200.8932 71  58516 30335 728      35 531        C-13-H3C-13-H2C-13-N
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  528377.7025  0.0509 -5.4888 3 1007.7283125  58516 303622538      632439        C-13-H3C-13-H2C-13-N
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  528698.5860  0.0300 -3.5373 3  989.7955123 -58516 303612537      602536        C-13-H3C-13-H2C-13-N
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  528778.1711  0.0303 -5.2920 3  885.1827115  58516 303572434      582335        C-13-H3C-13-H2C-13-N
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  528934.0740  0.0300 -3.6216 3 1026.9890123 -58516 303612636      602635        C-13-H3C-13-H2C-13-N
  529039.8000  0.0300 -2.5211 3  535.6310121 -58516 30360 555      59 554        C-13-H3C-13-H2C-13-N
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  529146.1100  0.0167 -5.1218 3  771.2734105  58516 303522330      532231        C-13-H3C-13-H2C-13-N
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  529182.5150  0.0300 -3.7092 3 1065.5556123 -58516 303612735      602734        C-13-H3C-13-H2C-13-N
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  529311.0483  0.0047 -5.4027 3  448.5282109  58516 30354 747      54 550        C-13-H3C-13-H2C-13-N
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  529443.3630  0.0300 -3.8000 3 1105.4856123 -58516 303612834      602833        C-13-H3C-13-H2C-13-N
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  529472.5172  0.0083 -4.9808 3  666.0103 95  58516 303472226      482127        C-13-H3C-13-H2C-13-N
  529529.3421  0.0182 -5.8770 3 1681.1600209  58516 303A41392      A41293        C-13-H3C-13-H2C-13-N
  529538.0640  0.0300 -2.5549 3  562.7731127 -58516 30363 361      62 360        C-13-H3C-13-H2C-13-N
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  529565.9560  0.0300 -2.5548 3  562.7683127 -58516 30363 261      62 260        C-13-H3C-13-H2C-13-N
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  529588.0383  0.0030 -5.4258 3  180.8924 67  58516 30333 726      33 529        C-13-H3C-13-H2C-13-N
  529598.7904  0.0479 -5.8812 3 1574.3981209  58516 303A4 599      A4 4A0        C-13-H3C-13-H2C-13-N
  529604.2232  0.0047 -5.2962 3  191.2718 71  58516 30335 629      35 332        C-13-H3C-13-H2C-13-N
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  529682.5550  0.0300 -3.6836 3  562.7683127 -58516 30363 361      62 260        C-13-H3C-13-H2C-13-N
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  529716.1380  0.0300 -3.8940 3 1146.7693123 -58516 303612933      602932        C-13-H3C-13-H2C-13-N
  529722.6218  0.0479 -5.8811 3 1574.3984209  58516 303A4 699      A4 5A0        C-13-H3C-13-H2C-13-N
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  529748.2409  0.0040 -4.8732 3  569.4018 85  58516 303422122      432023        C-13-H3C-13-H2C-13-N
  529819.6288  0.0032 -5.6324 3   61.6128 41  58516 30320 516      19 317        C-13-H3C-13-H2C-13-N
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  529964.0824  0.0031 -4.8058 3  481.4558 75  58516 303372018      381919        C-13-H3C-13-H2C-13-N
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  530000.3196  0.0029 -3.9914 3 1189.3967123  58516 303613032      603031        C-13-H3C-13-H2C-13-N
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  530051.1175  0.0038 -5.6841 3  216.4115 35  58516 3031716 2      1815 3        C-13-H3C-13-H2C-13-N
  530110.9231  0.0035 -4.7907 3  402.1787 65  58516 303321913      331816        C-13-H3C-13-H2C-13-N
  530110.9231  0.0035 -4.7907 3  402.1787 65  58516 303321914      331815        C-13-H3C-13-H2C-13-N
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  530162.5279  0.0038 -5.0563 3  269.6526 45  58516 3032217 6      2316 7        C-13-H3C-13-H2C-13-N
  530179.8838  0.0037 -4.8528 3  331.5761 55  58516 3032718 9      281712        C-13-H3C-13-H2C-13-N
  530179.8838  0.0037 -4.8528 3  331.5761 55  58516 303271810      281711        C-13-H3C-13-H2C-13-N
  530240.8627  0.0510 -5.4554 3 1261.3541189  58516 30394 391      94 292        C-13-H3C-13-H2C-13-N
  530244.0288  0.0510 -5.4554 3 1261.3541189  58516 30394 491      94 392        C-13-H3C-13-H2C-13-N
  530245.1470  0.0300 -2.5783 3  566.1052123 -58516 30361 755      60 754        C-13-H3C-13-H2C-13-N
  530277.8244  0.0030 -5.4458 3  171.3291 65  58516 30332 725      32 528        C-13-H3C-13-H2C-13-N
  530295.5722  0.0031 -4.0919 3 1233.3576123  58516 303613130      603129        C-13-H3C-13-H2C-13-N
  530295.5722  0.0031 -4.0919 3 1233.3576123  58516 303613131      603130        C-13-H3C-13-H2C-13-N
  530347.3081  0.0062 -5.5373 3  576.7259123  58516 30361 854      61 655        C-13-H3C-13-H2C-13-N
  530601.5242  0.0034 -4.1958 3 1278.6419123  58516 303613229      603228        C-13-H3C-13-H2C-13-N
  530601.5242  0.0034 -4.1958 3 1278.6419123  58516 303613230      603229        C-13-H3C-13-H2C-13-N
  530661.2267  0.0013 -3.7705 3  555.8574125  58516 30362 459      61 358        C-13-H3C-13-H2C-13-N
  530706.2136  0.0172 -5.7621 3 1621.6446205  58516 303A21389      A21290        C-13-H3C-13-H2C-13-N
  530721.5515  0.0173 -5.8183 3 1651.2379207  58516 303A31391      A31292        C-13-H3C-13-H2C-13-N
  530790.3742  0.0031 -5.4933 3  153.1017 61  58516 30330 724      30 525        C-13-H3C-13-H2C-13-N
  530917.8430  0.0300 -4.3029 3 1325.2390123 -58516 303613328      603327        C-13-H3C-13-H2C-13-N
  530917.8430  0.0300 -4.3029 3 1325.2390123 -58516 303613329      603328        C-13-H3C-13-H2C-13-N
  530926.6500  0.0300 -5.4680 3  162.0573 63 -58516 30331 724      31 527        C-13-H3C-13-H2C-13-N
  531130.2680  0.0300 -3.6159 3  568.4158129 -58516 30364 163      63 262        C-13-H3C-13-H2C-13-N
  531133.5550  0.0300 -2.5564 3  568.4158129 -58516 30364 263      63 262        C-13-H3C-13-H2C-13-N
  531134.4570  0.0300 -2.5564 3  568.4156129 -58516 30364 163      63 162        C-13-H3C-13-H2C-13-N
  531137.7562  0.0021 -3.6159 3  568.4156129  58516 30364 263      63 162        C-13-H3C-13-H2C-13-N
  531152.2950  0.0300 -3.8396 3  446.6874111 -58516 30355 551      54 450        C-13-H3C-13-H2C-13-N
  531183.8699  0.0487 -5.6445 3 1414.0080199  58516 30399 495      99 396        C-13-H3C-13-H2C-13-N
  531205.7005  0.0487 -5.6445 3 1414.0080199  58516 30399 595      99 496        C-13-H3C-13-H2C-13-N
  531244.2854  0.0062 -4.4134 3 1373.1383123  58516 303613427      603426        C-13-H3C-13-H2C-13-N
  531244.2854  0.0062 -4.4134 3 1373.1383123  58516 303613428      603427        C-13-H3C-13-H2C-13-N
  531531.5317  0.0031 -5.4923 3  153.0770 61  58516 30330 723      30 526        C-13-H3C-13-H2C-13-N
  531555.2722  0.0031 -5.5197 3  144.4059 59  58516 30329 723      29 524        C-13-H3C-13-H2C-13-N
  531580.5414  0.0097 -4.5271 3 1422.3291123  58516 303613526      603525        C-13-H3C-13-H2C-13-N
  531580.5414  0.0097 -4.5271 3 1422.3291123  58516 303613527      603526        C-13-H3C-13-H2C-13-N
  531793.8660  0.0500 -3.4425 3  136.0175 57 -58516 30328 722      27 621        C-13-H3C-13-H2C-13-N
  531804.9090  0.0500 -3.4425 3  136.0172 57 -58516 30328 721      27 622        C-13-H3C-13-H2C-13-N
  531874.8792  0.0033 -5.5755 3   67.6159 43  58516 30321 516      20 317        C-13-H3C-13-H2C-13-N
  531882.0127  0.0164 -5.7603 3 1621.6010205  58516 303A21390      A21291        C-13-H3C-13-H2C-13-N
  531926.3817  0.0152 -4.6442 3 1472.8006123  58516 303613625      603624        C-13-H3C-13-H2C-13-N
  531926.3817  0.0152 -4.6442 3 1472.8006123  58516 303613626      603625        C-13-H3C-13-H2C-13-N
  531929.0295  0.0068 -5.5926 3  455.9644111  58516 30355 649      55 452        C-13-H3C-13-H2C-13-N
  532044.4930  0.0161 -5.7044 3 1592.2851203  58516 303A11388      A11289        C-13-H3C-13-H2C-13-N
  532090.8337  0.0031 -5.5190 3  144.3881 59  58516 30329 722      29 525        C-13-H3C-13-H2C-13-N
  532141.4148  0.0048 -5.4203 3  464.4047111  58516 30355 748      55 551        C-13-H3C-13-H2C-13-N
  532221.7506  0.0031 -5.5487 3  136.0032 57  58516 30328 722      28 523        C-13-H3C-13-H2C-13-N
  532281.5792  0.0230 -4.7647 3 1524.5417123  58516 303613724      603723        C-13-H3C-13-H2C-13-N
  532281.5792  0.0230 -4.7647 3 1524.5417123  58516 303613725      603724        C-13-H3C-13-H2C-13-N
  532603.7898  0.0031 -5.5482 3  135.9905 57  58516 30328 721      28 524        C-13-H3C-13-H2C-13-N
  532645.9213  0.0338 -4.8886 3 1577.5413123  58516 303613823      603822        C-13-H3C-13-H2C-13-N
  532645.9213  0.0338 -4.8886 3 1577.5413123  58516 303613824      603823        C-13-H3C-13-H2C-13-N
  532666.8060  0.0300 -2.5751 3  566.4848123 -58516 30361 754      60 753        C-13-H3C-13-H2C-13-N
  532788.2792  0.0041 -3.5599 3  572.9870131  58516 30365 065      64 164        C-13-H3C-13-H2C-13-N
  532788.3270  0.0300 -2.5556 3  572.9870131 -58516 30365 165      64 164        C-13-H3C-13-H2C-13-N
  532788.3270  0.0300 -2.5556 3  572.9870131 -58516 30365 065      64 064        C-13-H3C-13-H2C-13-N
  532788.3711  0.0041 -3.5599 3  572.9870131  58516 30365 165      64 064        C-13-H3C-13-H2C-13-N
  532801.6947  0.0032 -5.5803 3  127.8932 55  58516 30327 721      27 522        C-13-H3C-13-H2C-13-N
  533009.6790  0.0156 -5.7029 3 1592.2495203  58516 303A11389      A11290        C-13-H3C-13-H2C-13-N
  533019.2085  0.0484 -5.0159 3 1631.7880123  58516 303613922      603921        C-13-H3C-13-H2C-13-N
  533019.2085  0.0484 -5.0159 3 1631.7880123  58516 303613923      603922        C-13-H3C-13-H2C-13-N
  533070.5168  0.0032 -5.5799 3  127.8843 55  58516 30327 720      27 523        C-13-H3C-13-H2C-13-N
  533305.4207  0.0033 -5.6147 3  120.0754 53  58516 30326 720      26 521        C-13-H3C-13-H2C-13-N
  533314.0427  0.0152 -5.6475 3 1563.2125201  58516 303A01387      A01288        C-13-H3C-13-H2C-13-N
  533401.2524  0.0674 -5.1468 3 1687.2706123  58516 303614021      604020        C-13-H3C-13-H2C-13-N
  533401.2524  0.0674 -5.1468 3 1687.2706123  58516 303614022      604021        C-13-H3C-13-H2C-13-N
  533427.8933  0.0670 -5.3780 3 1141.2306181  58516 30390 288      90 189        C-13-H3C-13-H2C-13-N
  533428.1785  0.0670 -5.3780 3 1141.2306181  58516 30390 388      90 289        C-13-H3C-13-H2C-13-N
  533491.8402  0.0033 -5.6144 3  120.0692 53  58516 30326 719      26 522        C-13-H3C-13-H2C-13-N
  533663.0010  0.0300 -3.3915 3  109.5555 47 -58516 30323 816      22 715        C-13-H3C-13-H2C-13-N
  533663.0010  0.0300 -3.3915 3  109.5555 47 -58516 30323 815      22 716        C-13-H3C-13-H2C-13-N
  533741.8862  0.0033 -5.6520 3  112.5494 51  58516 30325 719      25 520        C-13-H3C-13-H2C-13-N
  533775.3780  0.0300 -3.8452 3  462.7550113 -58516 30356 552      55 451        C-13-H3C-13-H2C-13-N
  533791.8748  0.0921 -5.2812 3 1743.9775123  58516 303614120      604119        C-13-H3C-13-H2C-13-N
  533791.8748  0.0921 -5.2812 3 1743.9775123  58516 303614121      604120        C-13-H3C-13-H2C-13-N
  533869.1618  0.0033 -5.6519 3  112.5451 51  58516 30325 718      25 521        C-13-H3C-13-H2C-13-N
  533962.2390  0.0300 -2.5617 3  565.4884125 -58516 30362 558      61 557        C-13-H3C-13-H2C-13-N
  534103.7925  0.0149 -5.6463 3 1563.1834201  58516 303A01388      A01289        C-13-H3C-13-H2C-13-N
  534118.8867  0.0034 -5.6926 3  105.3148 49  58516 30324 718      24 519        C-13-H3C-13-H2C-13-N
  534190.9066  0.1235 -5.4192 3 1801.8971123  58516 303614219      604218        C-13-H3C-13-H2C-13-N
  534190.9066  0.1235 -5.4192 3 1801.8971123  58516 303614220      604219        C-13-H3C-13-H2C-13-N
  534204.3382  0.0034 -5.6925 3  105.3120 49  58516 30324 717      24 520        C-13-H3C-13-H2C-13-N
  534241.9120  0.0300 -3.7889 3  573.5583127 -58516 30363 360      62 459        C-13-H3C-13-H2C-13-N
  534443.2302  0.0035 -5.7366 3   98.3715 47  58516 30323 717      23 518        C-13-H3C-13-H2C-13-N
  534499.5730  0.0035 -5.7366 3   98.3696 47  58516 30323 716      23 519        C-13-H3C-13-H2C-13-N
  534519.7429  0.0144 -5.5913 3 1534.4265199  58516 303991386      991287        C-13-H3C-13-H2C-13-N
  534598.1872  0.1631 -5.5610 3 1861.0176123  58516 303614318      604317        C-13-H3C-13-H2C-13-N
  534598.1872  0.1631 -5.5610 3 1861.0176123  58516 303614319      604318        C-13-H3C-13-H2C-13-N
  534659.5747  0.1264 -5.4388 3 1026.1866173  58516 30386 185      86 086        C-13-H3C-13-H2C-13-N
  534659.5921  0.1264 -5.4388 3 1026.1866173  58516 30386 285      86 186        C-13-H3C-13-H2C-13-N
  534720.8920  0.0035 -5.7844 3   91.7191 45  58516 30322 716      22 517        C-13-H3C-13-H2C-13-N
  534757.3201  0.0035 -5.7843 3   91.7179 45  58516 30322 715      22 518        C-13-H3C-13-H2C-13-N
  534866.1470  0.0300 -3.3602 3   91.8412 37 -58516 30318 9 9      17 810        C-13-H3C-13-H2C-13-N
  534866.1470  0.0300 -3.3602 3   91.8412 37 -58516 30318 910      17 8 9        C-13-H3C-13-H2C-13-N
  534957.1478  0.0036 -5.8362 3   85.3574 43  58516 30321 715      21 516        C-13-H3C-13-H2C-13-N
  534959.9570  0.0500 -3.5308 3  180.9533 69 -58516 30334 629      33 528        C-13-H3C-13-H2C-13-N
  534980.2020  0.0036 -5.8362 3   85.3566 43  58516 30321 714      21 517        C-13-H3C-13-H2C-13-N
  535013.5641  0.2124 -5.7066 3 1921.3273123  58516 303614417      604416        C-13-H3C-13-H2C-13-N
  535013.5641  0.2124 -5.7066 3 1921.3273123  58516 303614418      604417        C-13-H3C-13-H2C-13-N
  535156.6864  0.0037 -5.8925 3   79.2861 41  58516 30320 714      20 515        C-13-H3C-13-H2C-13-N
  535163.8518  0.0142 -5.5903 3 1534.4029199  58516 303991387      991288        C-13-H3C-13-H2C-13-N
  535169.0584  0.0060 -5.5299 3  153.4778 65  58516 30332 528      32 231        C-13-H3C-13-H2C-13-N
  535170.9388  0.0037 -5.8925 3   79.2856 41  58516 30320 713      20 516        C-13-H3C-13-H2C-13-N
  535289.4610  0.1000 -5.3526 3  180.9475 69 -58516 30334 628      34 331        C-13-H3C-13-H2C-13-N
  535323.7041  0.0038 -5.9539 3   73.5051 39  58516 30319 713      19 514        C-13-H3C-13-H2C-13-N
  535332.2906  0.0038 -5.9539 3   73.5048 39  58516 30319 712      19 515        C-13-H3C-13-H2C-13-N
  535436.8923  0.2734 -5.8562 3 1982.8142123  58516 303614516      604515        C-13-H3C-13-H2C-13-N
  535436.8923  0.2734 -5.8562 3 1982.8142123  58516 303614517      604516        C-13-H3C-13-H2C-13-N
  535524.7124  0.0051 -5.4399 3  480.5599113  58516 30356 749      56 552        C-13-H3C-13-H2C-13-N
  535665.9694  0.0137 -5.5358 3 1505.9272197  58516 303981385      981286        C-13-H3C-13-H2C-13-N
  535673.3300  0.0500 -3.9635 3  601.3841129 -58516 30364 460      63 559        C-13-H3C-13-H2C-13-N
  535763.9971  0.0042 -5.3102 3  103.3862 55  58516 30327 424      26 225        C-13-H3C-13-H2C-13-N
  535790.0782  0.1223 -5.9108 3 1257.6087143  58516 303712744      722647        C-13-H3C-13-H2C-13-N
  535790.0782  0.1223 -5.9108 3 1257.6087143  58516 303712745      722646        C-13-H3C-13-H2C-13-N
  535796.4170  0.0300 -3.3360 3   82.8324 27 -58516 3031310 3      12 9 4        C-13-H3C-13-H2C-13-N
  535796.4170  0.0300 -3.3360 3   82.8324 27 -58516 3031310 4      12 9 3        C-13-H3C-13-H2C-13-N
  535923.4590  0.0300 -2.8885 3  712.9689125 -58516 303621547      611546        C-13-H3C-13-H2C-13-N
  535923.4590  0.0300 -2.8885 3  712.9689125 -58516 303621548      611547        C-13-H3C-13-H2C-13-N
  535941.9820  0.0300 -2.9400 3  735.9359125 -58516 303621646      611645        C-13-H3C-13-H2C-13-N
  535941.9820  0.0300 -2.9400 3  735.9359125 -58516 303621647      611646        C-13-H3C-13-H2C-13-N
  535950.1240  0.0300 -2.8402 3  691.4762125 -58516 303621448      611447        C-13-H3C-13-H2C-13-N
  535950.1240  0.0300 -2.8402 3  691.4762125 -58516 303621449      611448        C-13-H3C-13-H2C-13-N
  535997.4240  0.0300 -2.9948 3  760.3669125 -58516 303621745      611744        C-13-H3C-13-H2C-13-N
  535997.4240  0.0300 -2.9948 3  760.3669125 -58516 303621746      611745        C-13-H3C-13-H2C-13-N
  536033.6240  0.0300 -2.7952 3  671.4693125 -58516 303621350      611349        C-13-H3C-13-H2C-13-N
  536033.6240  0.0300 -2.7952 3  671.4693125 -58516 303621349      611348        C-13-H3C-13-H2C-13-N
  536035.4171  0.0500 -5.9318 3 1603.7277211  58516 303A5 5A0      A5 4A1        C-13-H3C-13-H2C-13-N
  536082.6170  0.0300 -2.5676 3  573.5583127 -58516 30363 460      62 459        C-13-H3C-13-H2C-13-N
  536083.9210  0.0300 -3.0529 3  786.2524125 -58516 303621844      611843        C-13-H3C-13-H2C-13-N
  536083.9210  0.0300 -3.0529 3  786.2524125 -58516 303621845      611844        C-13-H3C-13-H2C-13-N
  536138.3630  0.0500 -5.9317 3 1603.7279211  58516 303A5 6A0      A5 5A1        C-13-H3C-13-H2C-13-N
  536148.9996  0.0033 -4.8422 3   95.5521 53  58516 30326 423      25 124        C-13-H3C-13-H2C-13-N
  536189.5811  0.0136 -5.5350 3 1505.9080197  58516 303981386      981287        C-13-H3C-13-H2C-13-N
  536191.4220  0.0300 -2.7534 3  652.9621125 -58516 303621251      611250        C-13-H3C-13-H2C-13-N
  536191.4220  0.0300 -2.7534 3  652.9621125 -58516 303621250      611249        C-13-H3C-13-H2C-13-N
  536196.9220  0.0300 -3.1142 3  813.5833125 -58516 303621943      611942        C-13-H3C-13-H2C-13-N
  536196.9220  0.0300 -3.1142 3  813.5833125 -58516 303621944      611943        C-13-H3C-13-H2C-13-N
  536275.2204  0.0807 -5.6702 3 1119.2600133  58516 303662640      672543        C-13-H3C-13-H2C-13-N
  536275.2204  0.0807 -5.6702 3 1119.2600133  58516 303662641      672542        C-13-H3C-13-H2C-13-N
  536333.3140  0.0300 -3.1788 3  842.3510125 -58516 303622042      612041        C-13-H3C-13-H2C-13-N
  536333.3140  0.0300 -3.1788 3  842.3510125 -58516 303622043      612042        C-13-H3C-13-H2C-13-N
  536450.3800  0.0300 -2.7149 3  635.9725125 -58516 303621152      611151        C-13-H3C-13-H2C-13-N
  536450.3800  0.0300 -2.7149 3  635.9725125 -58516 303621151      611150        C-13-H3C-13-H2C-13-N
  536464.0690  0.0300 -2.5668 3  573.4842127 -58516 30363 360      62 359        C-13-H3C-13-H2C-13-N
  536490.5370  0.0300 -3.2467 3  872.5465125 -58516 303622141      612140        C-13-H3C-13-H2C-13-N
  536490.5370  0.0300 -3.2467 3  872.5465125 -58516 303622142      612141        C-13-H3C-13-H2C-13-N
  536573.6027  0.0533 -5.4998 3 1287.6038191  58516 30395 392      95 293        C-13-H3C-13-H2C-13-N
  536576.1658  0.0533 -5.4998 3 1287.6038191  58516 30395 492      95 393        C-13-H3C-13-H2C-13-N
  536606.6750  0.0300 -3.9714 3  198.6489 75 -58516 30337 433      36 334        C-13-H3C-13-H2C-13-N
  536666.5320  0.0300 -3.3178 3  904.1612125 -58516 303622240      612239        C-13-H3C-13-H2C-13-N
  536666.5320  0.0300 -3.3178 3  904.1612125 -58516 303622241      612240        C-13-H3C-13-H2C-13-N
  536724.5730  0.0300 -3.8511 3  479.0897115 -58516 30357 553      56 452        C-13-H3C-13-H2C-13-N
  536742.2318  0.0509 -5.4533 3  989.5272123  58516 303612536      622439        C-13-H3C-13-H2C-13-N
  536742.2318  0.0509 -5.4533 3  989.5272123  58516 303612537      622438        C-13-H3C-13-H2C-13-N
  536756.6457  0.0130 -5.4811 3 1477.7143195  58516 303971384      971285        C-13-H3C-13-H2C-13-N
  536853.4370  0.0300 -2.6797 3  620.5253125 -58516 303621053      611052        C-13-H3C-13-H2C-13-N
  536856.3120  0.0300 -2.6797 3  620.5255125 -58516 303621052      611051        C-13-H3C-13-H2C-13-N
  536859.7580  0.0300 -3.3921 3  937.1862125 -58516 303622339      612338        C-13-H3C-13-H2C-13-N
  536859.7580  0.0300 -3.3921 3  937.1862125 -58516 303622340      612339        C-13-H3C-13-H2C-13-N
  536865.0079  0.0078 -5.7919 3  371.8864101  58516 30350 545      50 348        C-13-H3C-13-H2C-13-N
  536940.8770  0.0300 -3.5284 3  180.8924 69 -58516 30334 628      33 529        C-13-H3C-13-H2C-13-N
  537051.0320  0.0300 -2.5550 3  564.7239125 -58516 30362 458      61 457        C-13-H3C-13-H2C-13-N
  537068.9370  0.0300 -3.4697 3  971.6125125 -58516 303622438      612437        C-13-H3C-13-H2C-13-N
  537068.9370  0.0300 -3.4697 3  971.6125125 -58516 303622439      612438        C-13-H3C-13-H2C-13-N
  537180.9011  0.0130 -5.4804 3 1477.6988195  58516 303971385      971286        C-13-H3C-13-H2C-13-N
  537182.5824  0.0303 -5.2616 3  868.4218113  58516 303562432      572335        C-13-H3C-13-H2C-13-N
  537182.5824  0.0303 -5.2616 3  868.4218113  58516 303562433      572334        C-13-H3C-13-H2C-13-N
  537293.0160  0.0300 -3.5505 3 1007.4309125 -58516 303622537      612536        C-13-H3C-13-H2C-13-N
  537293.0160  0.0300 -3.5505 3 1007.4309125 -58516 303622538      612537        C-13-H3C-13-H2C-13-N
  537410.6480  0.0300 -2.5373 3  553.2779123 -58516 30361 556      60 555        C-13-H3C-13-H2C-13-N
  537464.9640  0.0300 -2.6476 3  606.6572125 -58516 30362 954      61 953        C-13-H3C-13-H2C-13-N
  537505.6280  0.0300 -2.6476 3  606.6615125 -58516 30362 953      61 952        C-13-H3C-13-H2C-13-N
  537530.7414  0.0015 -3.6981 3  580.4366129  58516 30364 262      63 361        C-13-H3C-13-H2C-13-N
  537531.1595  0.0020 -3.6345 3 1044.6323125  58516 303622636      612635        C-13-H3C-13-H2C-13-N
  537531.1595  0.0020 -3.6345 3 1044.6323125  58516 303622637      612636        C-13-H3C-13-H2C-13-N
  537547.2587  0.0508 -5.6920 3 1441.7995201  58516 303A0 496      A0 397        C-13-H3C-13-H2C-13-N
  537565.1669  0.0508 -5.6920 3 1441.7995201  58516 303A0 596      A0 497        C-13-H3C-13-H2C-13-N
  537586.9440  0.0382 -5.4114 3 1166.9612177  58516 30388 880      87 979        C-13-H3C-13-H2C-13-N
  537587.4508  0.0167 -5.0970 3  755.9543103  58516 303512328      522231        C-13-H3C-13-H2C-13-N
  537587.4508  0.0167 -5.0970 3  755.9543103  58516 303512329      522230        C-13-H3C-13-H2C-13-N
  537611.9840  0.0300 -2.5494 3  558.7931123 -58516 30361 655      60 654        C-13-H3C-13-H2C-13-N
  537624.6960  0.0300 -2.5719 3  580.4366129 -58516 30364 362      63 361        C-13-H3C-13-H2C-13-N
  537647.2890  0.0300 -2.5718 3  580.4327129 -58516 30364 262      63 261        C-13-H3C-13-H2C-13-N
  537722.6903  0.0108 -5.9019 3  156.3298 67  58516 30333 430      33 133        C-13-H3C-13-H2C-13-N
  537741.2330  0.0500 -3.6978 3  580.4327129 -58516 30364 362      63 261        C-13-H3C-13-H2C-13-N
  537749.8470  0.0500 -3.6900 3  215.3628 77 -58516 30338 533      37 434        C-13-H3C-13-H2C-13-N
  537782.6280  0.0300 -3.7218 3 1083.2072125 -58516 303622735      612734        C-13-H3C-13-H2C-13-N
  537782.6280  0.0300 -3.7218 3 1083.2072125 -58516 303622736      612735        C-13-H3C-13-H2C-13-N
  537795.2929  0.0124 -5.4271 3 1449.7879193  58516 303961383      961284        C-13-H3C-13-H2C-13-N
  537872.2980  0.0500 -2.5750 3  574.4454125 -58516 30362 657      61 656        C-13-H3C-13-H2C-13-N
  537947.8004  0.0082 -4.9625 3  652.1342 93  58516 303462224      472127        C-13-H3C-13-H2C-13-N
  537947.8004  0.0082 -4.9625 3  652.1342 93  58516 303462225      472126        C-13-H3C-13-H2C-13-N
  538046.7790  0.0300 -3.8123 3 1123.1459125 -58516 303622834      612833        C-13-H3C-13-H2C-13-N
  538046.7790  0.0300 -3.8123 3 1123.1459125 -58516 303622835      612834        C-13-H3C-13-H2C-13-N
  538137.9025  0.0124 -5.4265 3 1449.7754193  58516 303961384      961285        C-13-H3C-13-H2C-13-N
  538254.4688  0.0040 -4.8629 3  556.9699 83  58516 303412120      422023        C-13-H3C-13-H2C-13-N
  538254.4688  0.0040 -4.8629 3  556.9699 83  58516 303412121      422022        C-13-H3C-13-H2C-13-N
  538301.7580  0.0500 -2.6189 3  594.4164125 -58516 30362 855      61 854        C-13-H3C-13-H2C-13-N
  538304.8000  0.0300 -3.7821 3  573.4842127 -58516 30363 460      62 359        C-13-H3C-13-H2C-13-N
  538323.0440  0.0300 -3.9060 3 1164.4387125 -58516 303622933      612932        C-13-H3C-13-H2C-13-N
  538323.0440  0.0300 -3.9060 3 1164.4387125 -58516 303622934      612933        C-13-H3C-13-H2C-13-N
  538381.9936  0.0058 -5.5168 3  558.7931121  58516 30360 853      60 654        C-13-H3C-13-H2C-13-N
  538498.2738  0.0032 -4.8060 3  470.4689 73  58516 303362016      371919        C-13-H3C-13-H2C-13-N
  538498.2738  0.0032 -4.8060 3  470.4689 73  58516 303362017      371918        C-13-H3C-13-H2C-13-N
  538510.8297  0.0032 -5.5736 3   67.3938 43  58516 30321 517      20 318        C-13-H3C-13-H2C-13-N
  538593.8136  0.0077 -5.0908 3  371.8288101  58516 30350 545      50 248        C-13-H3C-13-H2C-13-N
  538611.0860  0.0300 -4.0030 3 1207.0756125 -58516 303623032      613031        C-13-H3C-13-H2C-13-N
  538611.0860  0.0300 -4.0030 3 1207.0756125 -58516 303623033      613032        C-13-H3C-13-H2C-13-N
  538638.3782  0.0033 -5.5202 3   73.7521 45  58516 30322 517      21 318        C-13-H3C-13-H2C-13-N
  538670.1458  0.0036 -4.8059 3  392.6374 63  58516 303311912      321815        C-13-H3C-13-H2C-13-N
  538670.1458  0.0036 -4.8059 3  392.6374 63  58516 303311913      321814        C-13-H3C-13-H2C-13-N
  538724.5460  0.0300 -2.6183 3  594.4697125 -58516 30362 854      61 853        C-13-H3C-13-H2C-13-N
  538761.2918  0.0038 -4.8935 3  323.4809 53  58516 3032618 8      271711        C-13-H3C-13-H2C-13-N
  538761.2918  0.0038 -4.8935 3  323.4809 53  58516 3032618 9      271710        C-13-H3C-13-H2C-13-N
  538763.4590  0.0300 -5.1556 3  263.0036 43 -58516 3032117 4      2216 7        C-13-H3C-13-H2C-13-N
  538763.4590  0.0300 -5.1556 3  263.0036 43 -58516 3032117 5      2216 6        C-13-H3C-13-H2C-13-N
  538785.0738  0.0118 -5.3738 3 1422.1480191  58516 303951382      951283        C-13-H3C-13-H2C-13-N
  538910.3590  0.0300 -4.1032 3 1251.0464125 -58516 303623131      613130        C-13-H3C-13-H2C-13-N
  538910.3590  0.0300 -4.1032 3 1251.0464125 -58516 303623132      613131        C-13-H3C-13-H2C-13-N
  538918.7640  0.0300 -2.5941 3  583.7923125 -58516 30362 756      61 755        C-13-H3C-13-H2C-13-N
  539060.8212  0.0118 -5.3733 3 1422.1380191  58516 303951383      951284        C-13-H3C-13-H2C-13-N
  539200.6685  0.0104 -4.8739 3  121.5701 61  58516 30330 228      29 129        C-13-H3C-13-H2C-13-N
  539220.5683  0.0035 -4.2067 3 1296.3408125  58516 303623230      613229        C-13-H3C-13-H2C-13-N
  539220.5683  0.0035 -4.2067 3 1296.3408125  58516 303623231      613230        C-13-H3C-13-H2C-13-N
  539220.9680  0.0500 -3.6318 3  586.1325131 -58516 30365 164      64 263        C-13-H3C-13-H2C-13-N
  539223.7292  0.0022 -2.5737 3  586.1325131  58516 30365 264      64 263        C-13-H3C-13-H2C-13-N
  539224.4265  0.0022 -2.5737 3  586.1324131  58516 30365 164      64 163        C-13-H3C-13-H2C-13-N
  539227.0760  0.0300 -3.6318 3  586.1324131 -58516 30365 264      64 163        C-13-H3C-13-H2C-13-N
  539508.9317  0.0103 -5.5773 3  121.5598 61  58516 30330 228      29 029        C-13-H3C-13-H2C-13-N
  539511.2896  0.0053 -5.4616 3  496.9929115  58516 30357 750      57 553        C-13-H3C-13-H2C-13-N
  539541.3590  0.0300 -4.3134 3 1342.9485125 -58516 303623329      613328        C-13-H3C-13-H2C-13-N
  539541.3590  0.0300 -4.3134 3 1342.9485125 -58516 303623330      613329        C-13-H3C-13-H2C-13-N
  539562.3280  0.0300 -4.2507 3  686.2993137 -58516 30368 563      67 662        C-13-H3C-13-H2C-13-N
  539728.8352  0.0112 -5.3212 3 1394.7945189  58516 303941381      941282        C-13-H3C-13-H2C-13-N
  539744.4112  0.0066 -4.9182 3  455.7037111  58516 30355 649      55 352        C-13-H3C-13-H2C-13-N
  539751.4162  0.0695 -5.4197 3 1166.2017183  58516 30391 289      91 190        C-13-H3C-13-H2C-13-N
  539751.6440  0.0695 -5.4197 3 1166.2017183  58516 30391 389      91 290        C-13-H3C-13-H2C-13-N
  539872.4535  0.0064 -4.4233 3 1390.8587125  58516 303623428      613427        C-13-H3C-13-H2C-13-N
  539872.4535  0.0064 -4.4233 3 1390.8587125  58516 303623429      613428        C-13-H3C-13-H2C-13-N
  539950.0154  0.0112 -5.3208 3 1394.7864189  58516 303941382      941283        C-13-H3C-13-H2C-13-N
  539990.0447  0.0093 -5.3943 3  283.1613 89  58516 30344 440      44 143        C-13-H3C-13-H2C-13-N
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  540213.5574  0.0100 -4.5366 3 1440.0608125  58516 303623528      613527        C-13-H3C-13-H2C-13-N
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  540314.0640  0.0500 -3.4384 3  144.1138 59 -58516 30329 722      28 623        C-13-H3C-13-H2C-13-N
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  540564.4246  0.0156 -4.6531 3 1490.5438125  58516 303623627      613626        C-13-H3C-13-H2C-13-N
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  540805.9458  0.0107 -5.2690 3 1367.7209187  58516 303931381      931282        C-13-H3C-13-H2C-13-N
  540880.3025  0.0043 -3.5771 3  590.7589133  58516 30366 066      65 165        C-13-H3C-13-H2C-13-N
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  540880.3370  0.0500 -2.5732 3  590.7589133 -58516 30366 066      65 065        C-13-H3C-13-H2C-13-N
  540880.3738  0.0043 -3.5771 3  590.7589133  58516 30366 166      65 065        C-13-H3C-13-H2C-13-N
  540924.8203  0.0236 -4.7729 3 1542.2967125  58516 303623725      613724        C-13-H3C-13-H2C-13-N
  540924.8203  0.0236 -4.7729 3 1542.2967125  58516 303623726      613725        C-13-H3C-13-H2C-13-N
  540996.9442  0.1317 -5.4778 3 1049.8762175  58516 30387 186      87 087        C-13-H3C-13-H2C-13-N
  540996.9579  0.1317 -5.4778 3 1049.8762175  58516 30387 286      87 187        C-13-H3C-13-H2C-13-N
  541011.0672  0.0049 -5.4105 3  170.9138 67  58516 30333 627      33 330        C-13-H3C-13-H2C-13-N
  541231.8638  0.0579 -5.8606 3 1391.4497193  58516 30396 987      951086        C-13-H3C-13-H2C-13-N
  541294.5250  0.0346 -4.8961 3 1595.3084125  58516 303623824      613823        C-13-H3C-13-H2C-13-N
  541294.5250  0.0346 -4.8961 3 1595.3084125  58516 303623825      613824        C-13-H3C-13-H2C-13-N
  541488.3203  0.0101 -5.2181 3 1340.9466185  58516 303921379      921280        C-13-H3C-13-H2C-13-N
  541629.1569  0.0101 -5.2179 3 1340.9415185  58516 303921380      921281        C-13-H3C-13-H2C-13-N
  541673.3326  0.0494 -5.0227 3 1649.5676125  58516 303623923      613922        C-13-H3C-13-H2C-13-N
  541673.3326  0.0494 -5.0227 3 1649.5676125  58516 303623924      613923        C-13-H3C-13-H2C-13-N
  541690.9751  0.0152 -5.9192 3  205.8978 77  58516 30338 335      38 038        C-13-H3C-13-H2C-13-N
  541751.8270  0.0300 -2.5905 3  584.2527125 -58516 30362 755      61 754        C-13-H3C-13-H2C-13-N
  542061.0489  0.0687 -5.1527 3 1705.0629125  58516 303624022      614021        C-13-H3C-13-H2C-13-N
  542061.0489  0.0687 -5.1527 3 1705.0629125  58516 303624023      614022        C-13-H3C-13-H2C-13-N
  542162.7530  0.0300 -2.5789 3  583.2995127 -58516 30363 559      62 558        C-13-H3C-13-H2C-13-N
  542285.8340  0.0500 -3.3835 3  116.1986 49 -58516 30324 817      23 716        C-13-H3C-13-H2C-13-N
  542285.8340  0.0500 -3.3835 3  116.1986 49 -58516 30324 816      23 717        C-13-H3C-13-H2C-13-N
  542308.4693  0.0096 -5.1677 3 1314.4523183  58516 303911378      911279        C-13-H3C-13-H2C-13-N
  542420.2614  0.0096 -5.1675 3 1314.4483183  58516 303911379      911280        C-13-H3C-13-H2C-13-N
  542457.4901  0.0938 -5.2862 3 1761.7829125  58516 303624121      614120        C-13-H3C-13-H2C-13-N
  542457.4901  0.0938 -5.2862 3 1761.7829125  58516 303624122      614121        C-13-H3C-13-H2C-13-N
  542562.7405  0.0037 -4.7703 3  187.5665 73  58516 30336 432      35 233        C-13-H3C-13-H2C-13-N
  542653.3990  0.0300 -3.8003 3  591.4401129 -58516 30364 361      63 460        C-13-H3C-13-H2C-13-N
  542702.4310  0.0300 -3.5340 3  190.8276 71 -58516 30335 630      34 529        C-13-H3C-13-H2C-13-N
  542799.8298  0.0061 -5.5116 3  162.7866 67  58516 30333 529      33 232        C-13-H3C-13-H2C-13-N
  542862.4820  0.1257 -5.4232 3 1819.7158125  58516 303624220      614219        C-13-H3C-13-H2C-13-N
  542862.4820  0.1257 -5.4232 3 1819.7158125  58516 303624221      614220        C-13-H3C-13-H2C-13-N
  542898.3112  0.0555 -5.5448 3 1314.1201193  58516 30396 393      96 294        C-13-H3C-13-H2C-13-N
  542900.3859  0.0555 -5.5448 3 1314.1201193  58516 30396 493      96 394        C-13-H3C-13-H2C-13-N
  543091.5052  0.0091 -5.1179 3 1288.2444181  58516 303901377      901278        C-13-H3C-13-H2C-13-N
  543179.9257  0.0091 -5.1178 3 1288.2412181  58516 303901378      901279        C-13-H3C-13-H2C-13-N
  543275.8591  0.1659 -5.5639 3 1878.8499125  58516 303624319      614318        C-13-H3C-13-H2C-13-N
  543275.8591  0.1659 -5.5639 3 1878.8499125  58516 303624320      614319        C-13-H3C-13-H2C-13-N
  543528.0490  0.0300 -3.3495 3   97.0381 39 -58516 30319 910      18 811        C-13-H3C-13-H2C-13-N
  543528.0490  0.0300 -3.3495 3   97.0381 39 -58516 30319 911      18 810        C-13-H3C-13-H2C-13-N
  543684.2540  0.0300 -3.8643 3  512.5542119 -58516 30359 555      58 454        C-13-H3C-13-H2C-13-N
  543697.4643  0.2160 -5.7082 3 1939.1735125  58516 303624418      614417        C-13-H3C-13-H2C-13-N
  543697.4643  0.2160 -5.7082 3 1939.1735125  58516 303624419      614418        C-13-H3C-13-H2C-13-N
  543716.6183  0.0115 -4.6052 3  818.4306149  58516 30374 668      73 767        C-13-H3C-13-H2C-13-N
  543839.1757  0.0086 -5.0688 3 1262.3229179  58516 303891376      891277        C-13-H3C-13-H2C-13-N
  543884.5499  0.0077 -5.6050 3  105.8236 57  58516 30328 326      27 127        C-13-H3C-13-H2C-13-N
  543899.3667  0.0531 -5.7402 3 1469.8568203  58516 303A1 497      A1 398        C-13-H3C-13-H2C-13-N
  543908.8574  0.0086 -5.0687 3 1262.3203179  58516 303891377      891278        C-13-H3C-13-H2C-13-N
  543914.0529  0.0531 -5.7402 3 1469.8568203  58516 303A1 597      A1 498        C-13-H3C-13-H2C-13-N
  544072.8300  0.1223 -5.8675 3 1236.8178141  58516 303702743      712646        C-13-H3C-13-H2C-13-N
  544072.8300  0.1223 -5.8675 3 1236.8178141  58516 303702744      712645        C-13-H3C-13-H2C-13-N
  544127.1481  0.2779 -5.8564 3 2000.6744125  58516 303624517      614516        C-13-H3C-13-H2C-13-N
  544127.1481  0.2779 -5.8564 3 2000.6744125  58516 303624518      614517        C-13-H3C-13-H2C-13-N
  544152.9037  0.0055 -5.4856 3  513.7031117  58516 30358 751      58 554        C-13-H3C-13-H2C-13-N
  544175.6640  0.0300 -2.5852 3  591.4401129 -58516 30364 461      63 460        C-13-H3C-13-H2C-13-N
  544373.5867  0.0076 -4.9124 3  105.8073 57  58516 30328 326      27 027        C-13-H3C-13-H2C-13-N
  544451.0956  0.0077 -4.3669 3  162.7866 69  58516 30334 331      33 232        C-13-H3C-13-H2C-13-N
  544468.9410  0.0500 -3.3252 3   86.5855 29 -58516 3031410 4      13 9 5        C-13-H3C-13-H2C-13-N
  544468.9410  0.0500 -3.3252 3   86.5855 29 -58516 3031410 5      13 9 4        C-13-H3C-13-H2C-13-N
  544493.0337  0.0072 -5.6334 3  471.9495113  58516 30356 650      56 453        C-13-H3C-13-H2C-13-N
  544494.2080  0.0300 -2.5845 3  591.3787129 -58516 30364 361      63 360        C-13-H3C-13-H2C-13-N
  544518.2840  0.0300 -2.9044 3  730.8454127 -58516 303631548      621547        C-13-H3C-13-H2C-13-N
  544518.2840  0.0300 -2.9044 3  730.8454127 -58516 303631549      621548        C-13-H3C-13-H2C-13-N
  544532.2290  0.0300 -2.9558 3  753.8130127 -58516 303631647      621646        C-13-H3C-13-H2C-13-N
  544532.2290  0.0300 -2.9558 3  753.8130127 -58516 303631648      621647        C-13-H3C-13-H2C-13-N
  544551.3320  0.0300 -2.8562 3  709.3536127 -58516 303631449      621448        C-13-H3C-13-H2C-13-N
  544551.3320  0.0300 -2.8562 3  709.3536127 -58516 303631450      621449        C-13-H3C-13-H2C-13-N
  544553.0827  0.0082 -5.0205 3 1236.6878177  58516 303881375      881276        C-13-H3C-13-H2C-13-N
  544584.5430  0.0300 -3.0105 3  778.2458127 -58516 303631746      621745        C-13-H3C-13-H2C-13-N
  544584.5430  0.0300 -3.0105 3  778.2458127 -58516 303631747      621746        C-13-H3C-13-H2C-13-N
  544603.1734  0.0807 -5.6313 3 1099.9062131  58516 303652639      662542        C-13-H3C-13-H2C-13-N
  544603.1734  0.0807 -5.6313 3 1099.9062131  58516 303652640      662541        C-13-H3C-13-H2C-13-N
  544607.7950  0.0082 -5.0204 3 1236.6858177  58516 303881376      881277        C-13-H3C-13-H2C-13-N
  544643.7320  0.0300 -2.8113 3  689.3495127 -58516 303631351      621350        C-13-H3C-13-H2C-13-N
  544643.7320  0.0300 -2.8113 3  689.3495127 -58516 303631350      621349        C-13-H3C-13-H2C-13-N
  544669.0300  0.0300 -3.0684 3  804.1342127 -58516 303631845      621844        C-13-H3C-13-H2C-13-N
  544669.0300  0.0300 -3.0684 3  804.1342127 -58516 303631846      621845        C-13-H3C-13-H2C-13-N
  544781.0710  0.0300 -3.1296 3  831.4689127 -58516 303631944      621943        C-13-H3C-13-H2C-13-N
  544781.0710  0.0300 -3.1296 3  831.4689127 -58516 303631945      621944        C-13-H3C-13-H2C-13-N
  544813.8140  0.0300 -2.7696 3  670.8476127 -58516 303631252      621251        C-13-H3C-13-H2C-13-N
  544813.8140  0.0300 -2.7696 3  670.8476127 -58516 303631251      621250        C-13-H3C-13-H2C-13-N
  544904.3100  0.0300 -2.5730 3  582.6380127 -58516 30363 459      62 458        C-13-H3C-13-H2C-13-N
  544917.2110  0.0300 -3.1940 3  860.2411127 -58516 303632043      622042        C-13-H3C-13-H2C-13-N
  544917.2110  0.0300 -3.1940 3  860.2411127 -58516 303632044      622043        C-13-H3C-13-H2C-13-N
  545074.8130  0.0300 -3.2617 3  890.4419127 -58516 303632142      622141        C-13-H3C-13-H2C-13-N
  545074.8130  0.0300 -3.2617 3  890.4419127 -58516 303632143      622142        C-13-H3C-13-H2C-13-N
  545077.3205  0.0033 -5.4678 3   80.1897 47  58516 30323 518      22 319        C-13-H3C-13-H2C-13-N
  545089.9296  0.0012 -2.7312 3  653.8666127  58516 303631153      621152        C-13-H3C-13-H2C-13-N
  545090.1475  0.0012 -2.7312 3  653.8666127  58516 303631152      621151        C-13-H3C-13-H2C-13-N
  545112.5605  0.0509 -5.4192 3  971.6125121  58516 303602535      612438        C-13-H3C-13-H2C-13-N
  545112.5605  0.0509 -5.4192 3  971.6125121  58516 303602536      612437        C-13-H3C-13-H2C-13-N
  545234.7005  0.0077 -4.9728 3 1211.3392175  58516 303871374      871275        C-13-H3C-13-H2C-13-N
  545251.7920  0.0300 -3.3326 3  922.0625127 -58516 303632241      622240        C-13-H3C-13-H2C-13-N
  545251.7920  0.0300 -3.3326 3  922.0625127 -58516 303632242      622241        C-13-H3C-13-H2C-13-N
  545277.4988  0.0077 -4.9727 3 1211.3377175  58516 303871375      871276        C-13-H3C-13-H2C-13-N
  545332.9410  0.0500 -3.5310 3  190.7471 71 -58516 30335 629      34 530        C-13-H3C-13-H2C-13-N
  545446.4960  0.0500 -3.4068 3  955.0939127 -58516 303632340      622339        C-13-H3C-13-H2C-13-N
  545446.4960  0.0500 -3.4068 3  955.0939127 -58516 303632341      622340        C-13-H3C-13-H2C-13-N
  545517.6580  0.0300 -2.6961 3  638.4328127 -58516 303631054      621053        C-13-H3C-13-H2C-13-N
  545521.4810  0.0300 -2.6961 3  638.4331127 -58516 303631053      621052        C-13-H3C-13-H2C-13-N
  545592.3927  0.0303 -5.2326 3  851.9478111  58516 303552431      562334        C-13-H3C-13-H2C-13-N
  545592.3927  0.0303 -5.2326 3  851.9478111  58516 303552432      562333        C-13-H3C-13-H2C-13-N
  545633.0430  0.0300 -3.7132 3  598.3698131 -58516 30365 263      64 362        C-13-H3C-13-H2C-13-N
  545657.5660  0.0300 -3.4841 3  989.5272127 -58516 303632439      622438        C-13-H3C-13-H2C-13-N
  545657.5660  0.0300 -3.4841 3  989.5272127 -58516 303632440      622439        C-13-H3C-13-H2C-13-N
  545703.1100  0.0300 -2.5546 3  571.2040125 -58516 30362 557      61 556        C-13-H3C-13-H2C-13-N
  545708.7470  0.0300 -2.5898 3  598.3698131 -58516 30365 363      64 362        C-13-H3C-13-H2C-13-N
  545727.0230  0.0300 -2.5898 3  598.3667131 -58516 30365 263      64 262        C-13-H3C-13-H2C-13-N
  545802.6910  0.0500 -3.7129 3  598.3667131 -58516 30365 363      64 262        C-13-H3C-13-H2C-13-N
  545883.9250  0.0300 -3.5647 3 1025.3531127 -58516 303632538      622537        C-13-H3C-13-H2C-13-N
  545883.9250  0.0300 -3.5647 3 1025.3531127 -58516 303632539      622538        C-13-H3C-13-H2C-13-N
  545885.3908  0.0073 -4.9258 3 1186.2771173  58516 303861373      861274        C-13-H3C-13-H2C-13-N
  545918.7425  0.0073 -4.9258 3 1186.2759173  58516 303861374      861275        C-13-H3C-13-H2C-13-N
  545958.4680  0.0300 -3.9672 3  619.7416131 -58516 30365 461      64 560        C-13-H3C-13-H2C-13-N
  546016.4150  0.0300 -3.7947 3  591.3787129 -58516 30364 461      63 360        C-13-H3C-13-H2C-13-N
  546030.1126  0.0055 -5.4968 3  541.1642119  58516 30359 852      59 653        C-13-H3C-13-H2C-13-N
  546033.8160  0.0300 -5.0738 3  740.9226101 -58516 303502327      512230        C-13-H3C-13-H2C-13-N
  546033.8160  0.0300 -5.0738 3  740.9226101 -58516 303502328      512229        C-13-H3C-13-H2C-13-N
  546068.9475  0.0719 -5.4622 3 1191.4402185  58516 30392 290      92 191        C-13-H3C-13-H2C-13-N
  546069.1295  0.0719 -5.4622 3 1191.4402185  58516 30392 390      92 291        C-13-H3C-13-H2C-13-N
  546124.6890  0.0300 -3.6485 3 1062.5625127 -58516 303632637      622636        C-13-H3C-13-H2C-13-N
  546124.6890  0.0300 -3.6485 3 1062.5625127 -58516 303632638      622637        C-13-H3C-13-H2C-13-N
  546162.5900  0.0300 -2.6641 3  624.5851127 -58516 30363 955      62 954        C-13-H3C-13-H2C-13-N
  546214.8170  0.0300 -2.6640 3  624.5908127 -58516 30363 954      62 953        C-13-H3C-13-H2C-13-N
  546311.4040  0.0300 -2.5921 3  592.3869127 -58516 30363 658      62 657        C-13-H3C-13-H2C-13-N
  546379.1000  0.0300 -3.7355 3 1101.1457127 -58516 303632736      622735        C-13-H3C-13-H2C-13-N
  546379.1000  0.0300 -3.7355 3 1101.1457127 -58516 303632737      622736        C-13-H3C-13-H2C-13-N
  546427.7091  0.0082 -4.9462 3  638.5459 91  58516 303452223      462126        C-13-H3C-13-H2C-13-N
  546427.7091  0.0082 -4.9462 3  638.5459 91  58516 303452224      462125        C-13-H3C-13-H2C-13-N
  546506.4175  0.0069 -4.8796 3 1161.5016171  58516 303851372      851273        C-13-H3C-13-H2C-13-N
  546532.3074  0.0069 -4.8795 3 1161.5006171  58516 303851373      851274        C-13-H3C-13-H2C-13-N
  546565.9575  0.0235 -4.9962 3  985.0973163  58516 30381 774      80 873        C-13-H3C-13-H2C-13-N
  546646.5230  0.0300 -3.8258 3 1141.0933127 -58516 303632835      622834        C-13-H3C-13-H2C-13-N
  546646.5230  0.0300 -3.8258 3 1141.0933127 -58516 303632836      622835        C-13-H3C-13-H2C-13-N
  546678.8320  0.0300 -2.5653 3  576.7259125 -58516 30362 656      61 655        C-13-H3C-13-H2C-13-N
  546700.8945  0.0050 -5.4698 3  161.1727 65  58516 30332 626      32 329        C-13-H3C-13-H2C-13-N
  546764.9577  0.0040 -4.8551 3  544.8261 81  58516 303402119      412022        C-13-H3C-13-H2C-13-N
  546764.9577  0.0040 -4.8551 3  544.8261 81  58516 303402120      412021        C-13-H3C-13-H2C-13-N
  546926.3010  0.0300 -3.9192 3 1182.3952127 -58516 303632934      622933        C-13-H3C-13-H2C-13-N
  546926.3010  0.0300 -3.9192 3 1182.3952127 -58516 303632935      622934        C-13-H3C-13-H2C-13-N
  547024.4350  0.0300 -2.6354 3  612.3722127 -58516 30363 856      62 855        C-13-H3C-13-H2C-13-N
  547036.3830  0.0032 -4.8095 3  459.7704 71  58516 303352015      361918        C-13-H3C-13-H2C-13-N
  547036.3830  0.0032 -4.8095 3  459.7704 71  58516 303352016      361917        C-13-H3C-13-H2C-13-N
  547098.9581  0.0065 -4.8340 3 1137.0126169  58516 303841371      841272        C-13-H3C-13-H2C-13-N
  547118.9767  0.0065 -4.8340 3 1137.0119169  58516 303841372      841273        C-13-H3C-13-H2C-13-N
  547218.1080  0.0300 -4.0158 3 1225.0417127 -58516 303633033      623032        C-13-H3C-13-H2C-13-N
  547218.1080  0.0300 -4.0158 3 1225.0417127 -58516 303633034      623033        C-13-H3C-13-H2C-13-N
  547232.9691  0.0036 -4.8263 3  383.3847 61  58516 303301911      311814        C-13-H3C-13-H2C-13-N
  547232.9691  0.0036 -4.8263 3  383.3847 61  58516 303301912      311813        C-13-H3C-13-H2C-13-N
  547271.0350  0.0031 -5.5185 3   73.4629 45  58516 30322 518      21 319        C-13-H3C-13-H2C-13-N
  547309.4117  0.0023 -3.6486 3  604.1190133  58516 30366 165      65 264        C-13-H3C-13-H2C-13-N
  547311.4742  0.0023 -2.5918 3  604.1190133  58516 30366 265      65 264        C-13-H3C-13-H2C-13-N
  547311.6446  0.0035 -4.7814 3  103.0010 55  58516 30327 424      26 125        C-13-H3C-13-H2C-13-N
  547312.0253  0.0023 -2.5918 3  604.1190133  58516 30366 165      65 164        C-13-H3C-13-H2C-13-N
  547314.0879  0.0023 -3.6486 3  604.1190133  58516 30366 265      65 164        C-13-H3C-13-H2C-13-N
  547329.5695  0.1370 -5.5176 3 1073.8336177  58516 30388 187      88 088        C-13-H3C-13-H2C-13-N
  547329.5803  0.1370 -5.5176 3 1073.8336177  58516 30388 287      88 188        C-13-H3C-13-H2C-13-N
  547346.0134  0.0039 -4.9443 3  315.6744 51  58516 3032518 7      261710        C-13-H3C-13-H2C-13-N
  547346.0134  0.0039 -4.9443 3  315.6744 51  58516 3032518 8      2617 9        C-13-H3C-13-H2C-13-N
  547367.3386  0.0040 -5.2847 3  256.6434 41  58516 3032017 3      2116 6        C-13-H3C-13-H2C-13-N
  547367.3386  0.0040 -5.2847 3  256.6434 41  58516 3032017 4      2116 5        C-13-H3C-13-H2C-13-N
  547521.3900  0.0300 -4.1157 3 1269.0225127 -58516 303633132      623131        C-13-H3C-13-H2C-13-N
  547521.3900  0.0300 -4.1157 3 1269.0225127 -58516 303633133      623132        C-13-H3C-13-H2C-13-N
  547545.2060  0.0300 -2.6347 3  612.4397127 -58516 30363 855      62 854        C-13-H3C-13-H2C-13-N
  547577.7470  0.0300 -2.6108 3  601.7687127 -58516 30363 757      62 756        C-13-H3C-13-H2C-13-N
  547664.1140  0.0061 -4.7892 3 1112.8102167  58516 303831370      831271        C-13-H3C-13-H2C-13-N
  547679.5310  0.0061 -4.7891 3 1112.8097167  58516 303831371      831272        C-13-H3C-13-H2C-13-N
  547716.4960  0.0300 -3.8719 3  529.6817121 -58516 30360 556      59 455        C-13-H3C-13-H2C-13-N
  547763.1473  0.0074 -5.0731 3  162.6761 69  58516 30334 331      33 132        C-13-H3C-13-H2C-13-N
  547835.8070  0.0300 -4.2188 3 1314.3273127 -58516 303633231      623230        C-13-H3C-13-H2C-13-N
  547835.8070  0.0300 -4.2188 3 1314.3273127 -58516 303633232      623231        C-13-H3C-13-H2C-13-N
  548161.0000  0.0300 -4.3250 3 1360.9456127 -58516 303633330      623329        C-13-H3C-13-H2C-13-N
  548161.0000  0.0300 -4.3250 3 1360.9456127 -58516 303633331      623330        C-13-H3C-13-H2C-13-N
  548202.9199  0.0058 -4.7450 3 1088.8945165  58516 303821369      821270        C-13-H3C-13-H2C-13-N
  548214.7448  0.0058 -4.7450 3 1088.8941165  58516 303821370      821271        C-13-H3C-13-H2C-13-N
  548496.6640  0.0300 -4.4346 3 1408.8669127 -58516 303633429      623428        C-13-H3C-13-H2C-13-N
  548496.6640  0.0300 -4.4346 3 1408.8669127 -58516 303633430      623429        C-13-H3C-13-H2C-13-N
  548716.3515  0.0054 -4.7015 3 1065.2655163  58516 303811368      811269        C-13-H3C-13-H2C-13-N
  548725.3837  0.0054 -4.7015 3 1065.2652163  58516 303811369      811270        C-13-H3C-13-H2C-13-N
  548778.3850  0.0300 -3.4355 3  152.5016 61 -58516 30330 724      29 623        C-13-H3C-13-H2C-13-N
  548803.9780  0.0300 -3.4354 3  152.5008 61 -58516 30330 723      29 624        C-13-H3C-13-H2C-13-N
  548842.6709  0.0104 -4.5473 3 1458.0804127  58516 303633528      623527        C-13-H3C-13-H2C-13-N
  548842.6709  0.0104 -4.5473 3 1458.0804127  58516 303633529      623528        C-13-H3C-13-H2C-13-N
  548969.8799  0.0045 -3.5951 3  608.8007135  58516 30367 067      66 166        C-13-H3C-13-H2C-13-N
  548969.9100  0.0300 -2.5916 3  608.8007135 -58516 30367 167      66 166        C-13-H3C-13-H2C-13-N
  548969.9100  0.0300 -2.5916 3  608.8007135 -58516 30367 067      66 066        C-13-H3C-13-H2C-13-N
  548969.9352  0.0045 -3.5951 3  608.8007135  58516 30367 167      66 066        C-13-H3C-13-H2C-13-N
  549118.6520  0.0300 -3.7042 3  226.3508 79 -58516 30339 534      38 435        C-13-H3C-13-H2C-13-N
  549198.5360  0.0162 -4.6633 3 1508.5751127  58516 303633627      623626        C-13-H3C-13-H2C-13-N
  549198.5360  0.0162 -4.6633 3 1508.5751127  58516 303633628      623627        C-13-H3C-13-H2C-13-N
  549205.3320  0.0051 -4.6588 3 1041.9232161  58516 303801367      801268        C-13-H3C-13-H2C-13-N
  549212.2019  0.0051 -4.6587 3 1041.9230161  58516 303801368      801269        C-13-H3C-13-H2C-13-N
  549215.0686  0.0579 -5.5905 3 1340.9029195  58516 30397 394      97 295        C-13-H3C-13-H2C-13-N
  549216.7477  0.0579 -5.5905 3 1340.9029195  58516 30397 494      97 395        C-13-H3C-13-H2C-13-N
  549277.2154  0.0044 -5.2857 3  111.0468 57  58516 30328 425      27 226        C-13-H3C-13-H2C-13-N
  549502.3104  0.0058 -5.5120 3  530.6895119  58516 30359 752      59 555        C-13-H3C-13-H2C-13-N
  549564.1017  0.0243 -4.7826 3 1560.3400127  58516 303633726      623725        C-13-H3C-13-H2C-13-N
  549564.1017  0.0243 -4.7826 3 1560.3400127  58516 303633727      623726        C-13-H3C-13-H2C-13-N
  549670.7381  0.0049 -4.6167 3 1018.8677159  58516 303791366      791267        C-13-H3C-13-H2C-13-N
  549675.9408  0.0049 -4.6167 3 1018.8676159  58516 303791367      791268        C-13-H3C-13-H2C-13-N
  549939.1413  0.0355 -4.9052 3 1613.3641127  58516 303633825      623824        C-13-H3C-13-H2C-13-N
  549939.1413  0.0355 -4.9052 3 1613.3641127  58516 303633826      623825        C-13-H3C-13-H2C-13-N
  550113.4048  0.0046 -4.5753 3  996.0991157  58516 303781365      781266        C-13-H3C-13-H2C-13-N
  550117.3276  0.0046 -4.5753 3  996.0989157  58516 303781366      781267        C-13-H3C-13-H2C-13-N
  550194.4907  0.0194 -5.9674 3  909.9681155  58516 30377 969      77 770        C-13-H3C-13-H2C-13-N
  550240.4437  0.0556 -5.7891 3 1498.1797205  58516 303A2 498      A2 399        C-13-H3C-13-H2C-13-N
  550252.4845  0.0556 -5.7891 3 1498.1798205  58516 303A2 598      A2 499        C-13-H3C-13-H2C-13-N
  550288.5410  0.0300 -3.5387 3  200.9985 73 -58516 30336 631      35 530        C-13-H3C-13-H2C-13-N
  550323.4422  0.0505 -5.0311 3 1667.6359127  58516 303633924      623923        C-13-H3C-13-H2C-13-N
  550323.4422  0.0505 -5.0311 3 1667.6359127  58516 303633925      623924        C-13-H3C-13-H2C-13-N
  550345.2470  0.0300 -2.5969 3  601.3841129 -58516 30364 560      63 559        C-13-H3C-13-H2C-13-N
  550534.1300  0.0044 -4.5347 3  973.6173155  58516 303771364      771265        C-13-H3C-13-H2C-13-N
  550537.0744  0.0044 -4.5347 3  973.6172155  58516 303771365      771266        C-13-H3C-13-H2C-13-N
  550716.8040  0.0702 -5.1603 3 1723.1441127  58516 303634023      624022        C-13-H3C-13-H2C-13-N
  550716.8040  0.0702 -5.1603 3 1723.1441127  58516 303634024      624023        C-13-H3C-13-H2C-13-N
  550866.7420  0.0300 -2.6068 3  602.3235127 -58516 30363 756      62 755        C-13-H3C-13-H2C-13-N
  550900.9620  0.0300 -3.3765 3  123.1311 51 -58516 30325 818      24 717        C-13-H3C-13-H2C-13-N
  550900.9620  0.0300 -3.3765 3  123.1311 51 -58516 30325 817      24 718        C-13-H3C-13-H2C-13-N
  550933.6778  0.0041 -4.4947 3  951.4224153  58516 303761363      761264        C-13-H3C-13-H2C-13-N
  550935.8778  0.0041 -4.4947 3  951.4224153  58516 303761364      761265        C-13-H3C-13-H2C-13-N
  550972.7720  0.0062 -5.4973 3  172.3686 69  58516 30334 530      34 233        C-13-H3C-13-H2C-13-N
  551006.3760  0.0300 -3.8129 3  609.5919131 -58516 30365 362      64 461        C-13-H3C-13-H2C-13-N
  551073.8629  0.0070 -4.9513 3  471.7300113  58516 30356 650      56 353        C-13-H3C-13-H2C-13-N
  551119.0374  0.0956 -5.2930 3 1779.8773127  58516 303634122      624121        C-13-H3C-13-H2C-13-N
  551119.0374  0.0956 -5.2930 3 1779.8773127  58516 303634123      624122        C-13-H3C-13-H2C-13-N
  551175.7828  0.0034 -5.4181 3   86.9296 49  58516 30324 519      23 320        C-13-H3C-13-H2C-13-N
  551312.7822  0.0039 -4.4555 3  929.5145151  58516 303751362      751263        C-13-H3C-13-H2C-13-N
  551314.4183  0.0039 -4.4555 3  929.5145151  58516 303751363      751264        C-13-H3C-13-H2C-13-N
  551529.9628  0.1281 -5.4291 3 1837.8237127  58516 303634221      624220        C-13-H3C-13-H2C-13-N
  551529.9628  0.1281 -5.4291 3 1837.8237127  58516 303634222      624221        C-13-H3C-13-H2C-13-N
  551672.1496  0.0037 -4.4169 3  907.8937149  58516 303741361      741262        C-13-H3C-13-H2C-13-N
  551673.3604  0.0037 -4.4169 3  907.8936149  58516 303741362      741263        C-13-H3C-13-H2C-13-N
  551941.7542  0.0113 -5.9104 3  165.6999 69  58516 30334 431      34 134        C-13-H3C-13-H2C-13-N
  551949.4099  0.1689 -5.5687 3 1896.9716127  58516 303634320      624319        C-13-H3C-13-H2C-13-N
  551949.4099  0.1689 -5.5687 3 1896.9716127  58516 303634321      624320        C-13-H3C-13-H2C-13-N
  552012.4609  0.0036 -4.3791 3  886.5599147  58516 303731360      731261        C-13-H3C-13-H2C-13-N
  552013.3527  0.0036 -4.3791 3  886.5598147  58516 303731361      731262        C-13-H3C-13-H2C-13-N
  552118.5020  0.0300 -3.8803 3  547.0718123 -58516 30361 557      60 456        C-13-H3C-13-H2C-13-N
  552187.6430  0.0300 -3.3397 3  102.5238 41 -58516 30320 911      19 812        C-13-H3C-13-H2C-13-N
  552187.6430  0.0300 -3.3397 3  102.5238 41 -58516 30320 912      19 811        C-13-H3C-13-H2C-13-N
  552263.1450  0.0300 -2.6037 3  609.5919131 -58516 30365 462      64 461        C-13-H3C-13-H2C-13-N
  552295.3446  0.0050 -5.5305 3  151.7260 63  58516 30331 625      31 328        C-13-H3C-13-H2C-13-N
  552334.3743  0.0034 -4.3420 3  865.5132145  58516 303721359      721260        C-13-H3C-13-H2C-13-N
  552335.0277  0.0034 -4.3420 3  865.5131145  58516 303721360      721261        C-13-H3C-13-H2C-13-N
  552362.1878  0.1223 -5.8254 3 1216.3123139  58516 303692742      702645        C-13-H3C-13-H2C-13-N
  552362.1878  0.1223 -5.8254 3 1216.3123139  58516 303692743      702644        C-13-H3C-13-H2C-13-N
  552377.2167  0.2198 -5.7119 3 1957.3092127  58516 303634419      624418        C-13-H3C-13-H2C-13-N
  552377.2167  0.2198 -5.7119 3 1957.3092127  58516 303634420      624419        C-13-H3C-13-H2C-13-N
  552380.4898  0.0744 -5.5053 3 1216.9457187  58516 30393 291      93 192        C-13-H3C-13-H2C-13-N
  552380.6351  0.0744 -5.5053 3 1216.9457187  58516 30393 391      93 292        C-13-H3C-13-H2C-13-N
  552528.5830  0.0300 -2.6032 3  609.5411131 -58516 30365 362      64 361        C-13-H3C-13-H2C-13-N
  552638.5263  0.0033 -4.3056 3  844.7536143  58516 303711358      711259        C-13-H3C-13-H2C-13-N
  552639.0027  0.0033 -4.3056 3  844.7536143  58516 303711359      711260        C-13-H3C-13-H2C-13-N
  552762.9610  0.0300 -2.5918 3  600.8141129 -58516 30364 460      63 459        C-13-H3C-13-H2C-13-N
  552813.2294  0.2826 -5.8588 3 2018.8245127  58516 303634518      624517        C-13-H3C-13-H2C-13-N
  552813.2294  0.2826 -5.8588 3 2018.8245127  58516 303634519      624518        C-13-H3C-13-H2C-13-N
  552925.5341  0.0031 -4.2699 3  824.2813141  58516 303701357      701258        C-13-H3C-13-H2C-13-N
  552925.8796  0.0031 -4.2699 3  824.2813141  58516 303701358      701259        C-13-H3C-13-H2C-13-N
  552937.3306  0.0806 -5.5937 3 1080.8385129  58516 303642638      652541        C-13-H3C-13-H2C-13-N
  552937.3306  0.0806 -5.5937 3 1080.8385129  58516 303642639      652540        C-13-H3C-13-H2C-13-N
  553110.6690  0.0300 -2.9212 3  749.0086129 -58516 303641549      631548        C-13-H3C-13-H2C-13-N
  553110.6690  0.0300 -2.9212 3  749.0086129 -58516 303641550      631549        C-13-H3C-13-H2C-13-N
  553119.8400  0.0300 -2.9726 3  771.9766129 -58516 303641648      631647        C-13-H3C-13-H2C-13-N
  553119.8400  0.0300 -2.9726 3  771.9766129 -58516 303641649      631648        C-13-H3C-13-H2C-13-N
  553141.6730  0.0300 -3.3145 3   90.6273 31 -58516 3031510 5      14 9 6        C-13-H3C-13-H2C-13-N
  553141.6730  0.0300 -3.3145 3   90.6273 31 -58516 3031510 6      14 9 5        C-13-H3C-13-H2C-13-N
  553150.4140  0.0300 -2.8732 3  727.5178129 -58516 303641450      631449        C-13-H3C-13-H2C-13-N
  553150.4140  0.0300 -2.8732 3  727.5178129 -58516 303641451      631450        C-13-H3C-13-H2C-13-N
  553168.8730  0.0300 -3.0271 3  796.4112129 -58516 303641747      631746        C-13-H3C-13-H2C-13-N
  553168.8730  0.0300 -3.0271 3  796.4112129 -58516 303641748      631747        C-13-H3C-13-H2C-13-N
  553195.9962  0.0030 -4.2349 3  804.0962139  58516 303691356      691257        C-13-H3C-13-H2C-13-N
  553196.2454  0.0030 -4.2349 3  804.0962139  58516 303691357      691258        C-13-H3C-13-H2C-13-N
  553251.2354  0.0015 -3.0849 3  822.3024129  58516 303641846      631845        C-13-H3C-13-H2C-13-N
  553251.2354  0.0015 -3.0849 3  822.3024129  58516 303641847      631846        C-13-H3C-13-H2C-13-N
  553252.0590  0.0500 -2.8284 3  707.5168129 -58516 303641352      631351        C-13-H3C-13-H2C-13-N
  553252.0590  0.0500 -2.8284 3  707.5168129 -58516 303641351      631350        C-13-H3C-13-H2C-13-N
  553255.7226  0.0053 -5.4775 3  523.8405117  58516 30358 851      58 652        C-13-H3C-13-H2C-13-N
  553297.1048  0.0049 -4.2464 3  705.9166139  58516 30369 564      68 663        C-13-H3C-13-H2C-13-N
  553362.1170  0.0300 -3.1460 3  849.6409129 -58516 303641945      631944        C-13-H3C-13-H2C-13-N
  553362.1170  0.0300 -3.1460 3  849.6409129 -58516 303641946      631945        C-13-H3C-13-H2C-13-N
  553434.9190  0.0300 -2.7868 3  689.0206129 -58516 303641253      631252        C-13-H3C-13-H2C-13-N
  553434.9190  0.0300 -2.7868 3  689.0206129 -58516 303641252      631251        C-13-H3C-13-H2C-13-N
  553450.6100  0.0300 -4.2007 3  784.1984137 -58516 303681355      681256        C-13-H3C-13-H2C-13-N
  553450.6100  0.0300 -4.2007 3  784.1984137 -58516 303681356      681257        C-13-H3C-13-H2C-13-N
  553488.6922  0.0509 -5.3863 3  953.9844119  58516 303592534      602437        C-13-H3C-13-H2C-13-N
  553488.6922  0.0509 -5.3863 3  953.9844119  58516 303592535      602436        C-13-H3C-13-H2C-13-N
  553497.9040  0.0300 -3.2103 3  878.4176129 -58516 303642044      632043        C-13-H3C-13-H2C-13-N
  553497.9040  0.0300 -3.2103 3  878.4176129 -58516 303642045      632044        C-13-H3C-13-H2C-13-N
  553655.8120  0.0300 -3.2778 3  908.6237129 -58516 303642143      632142        C-13-H3C-13-H2C-13-N
  553655.8120  0.0300 -3.2778 3  908.6237129 -58516 303642144      632143        C-13-H3C-13-H2C-13-N
  553657.4197  0.1425 -5.5580 3 1098.0588179  58516 30389 188      89 089        C-13-H3C-13-H2C-13-N
  553657.4283  0.1425 -5.5580 3 1098.0588179  58516 30389 288      89 189        C-13-H3C-13-H2C-13-N
  553689.6770  0.0300 -4.1671 3  764.5880135 -58516 303671354      671255        C-13-H3C-13-H2C-13-N
  553689.6770  0.0300 -4.1671 3  764.5880135 -58516 303671355      671256        C-13-H3C-13-H2C-13-N
  553728.9482  0.0012 -2.7485 3  672.0488129  58516 303641154      631153        C-13-H3C-13-H2C-13-N
  553729.2470  0.0012 -2.7485 3  672.0488129  58516 303641153      631152        C-13-H3C-13-H2C-13-N
  553729.3306  0.0017 -3.7292 3  616.5727133  58516 30366 264      65 363        C-13-H3C-13-H2C-13-N
  553746.4160  0.0300 -3.5349 3  200.8932 73 -58516 30336 630      35 531        C-13-H3C-13-H2C-13-N
  553785.3560  0.0300 -3.8084 3  609.5411131 -58516 30365 462      64 361        C-13-H3C-13-H2C-13-N
  553790.2390  0.0500 -2.6085 3  616.5727133 -58516 30366 364      65 363        C-13-H3C-13-H2C-13-N
  553805.0130  0.0500 -2.6085 3  616.5702133 -58516 30366 264      65 263        C-13-H3C-13-H2C-13-N
  553833.6770  0.0300 -3.3485 3  940.2501129 -58516 303642242      632241        C-13-H3C-13-H2C-13-N
  553833.6770  0.0300 -3.3485 3  940.2501129 -58516 303642243      632242        C-13-H3C-13-H2C-13-N
  553865.8970  0.0300 -3.7290 3  616.5702133 -58516 30366 364      65 263        C-13-H3C-13-H2C-13-N
  553913.8950  0.0300 -4.1343 3  745.2649133 -58516 303661353      661254        C-13-H3C-13-H2C-13-N
  553913.8950  0.0300 -4.1343 3  745.2649133 -58516 303661354      661255        C-13-H3C-13-H2C-13-N
  553918.7800  0.0300 -2.5728 3  589.4066127 -58516 30363 558      62 557        C-13-H3C-13-H2C-13-N
  554007.6089  0.0303 -5.2050 3  835.7610109  58516 303542430      552333        C-13-H3C-13-H2C-13-N
  554007.6089  0.0303 -5.2050 3  835.7610109  58516 303542431      552332        C-13-H3C-13-H2C-13-N
  554029.7520  0.0300 -3.4225 3  973.2880129 -58516 303642341      632340        C-13-H3C-13-H2C-13-N
  554029.7520  0.0300 -3.4225 3  973.2880129 -58516 303642342      632341        C-13-H3C-13-H2C-13-N
  554123.8160  0.0300 -4.1023 3  726.2293131 -58516 303651352      651253        C-13-H3C-13-H2C-13-N
  554123.8160  0.0300 -4.1023 3  726.2293131 -58516 303651353      651254        C-13-H3C-13-H2C-13-N
  554182.2160  0.0300 -2.7134 3  656.6293129 -58516 303641055      631054        C-13-H3C-13-H2C-13-N
  554187.2890  0.0300 -2.7134 3  656.6298129 -58516 303641054      631053        C-13-H3C-13-H2C-13-N
  554242.6620  0.0300 -3.4997 3 1007.7283129 -58516 303642440      632439        C-13-H3C-13-H2C-13-N
  554242.6620  0.0300 -3.4997 3 1007.7283129 -58516 303642441      632440        C-13-H3C-13-H2C-13-N
  554319.9312  0.0025 -4.0709 3  707.4812129  58516 303641351      641252        C-13-H3C-13-H2C-13-N
  554319.9758  0.0025 -4.0709 3  707.4812129  58516 303641352      641253        C-13-H3C-13-H2C-13-N
  554471.2640  0.0300 -3.5800 3 1043.5618129 -58516 303642539      632538        C-13-H3C-13-H2C-13-N
  554471.2640  0.0300 -3.5800 3 1043.5618129 -58516 303642540      632539        C-13-H3C-13-H2C-13-N
  554485.1615  0.0166 -5.0523 3  726.1784 99  58516 303492326      502229        C-13-H3C-13-H2C-13-N
  554485.1615  0.0166 -5.0523 3  726.1784 99  58516 303492327      502228        C-13-H3C-13-H2C-13-N
  554502.8130  0.0300 -4.0404 3  689.0206127 -58516 303631350      631251        C-13-H3C-13-H2C-13-N
  554502.8130  0.0300 -4.0404 3  689.0206127 -58516 303631351      631252        C-13-H3C-13-H2C-13-N
  554522.2187  0.0053 -4.0001 3  209.2391 77  58516 30338 434      37 335        C-13-H3C-13-H2C-13-N
  554672.9550  0.0300 -4.0105 3  670.8476125 -58516 303621349      621250        C-13-H3C-13-H2C-13-N
  554672.9550  0.0300 -4.0105 3  670.8476125 -58516 303621350      621251        C-13-H3C-13-H2C-13-N
  554714.6330  0.0500 -3.6636 3 1080.7792129 -58516 303642638      632637        C-13-H3C-13-H2C-13-N
  554714.6330  0.0500 -3.6636 3 1080.7792129 -58516 303642639      632638        C-13-H3C-13-H2C-13-N
  554724.1510  0.0300 -2.6101 3  610.6099129 -58516 30364 659      63 658        C-13-H3C-13-H2C-13-N
  554830.6860  0.0300 -3.9814 3  652.9621123 -58516 303611348      611249        C-13-H3C-13-H2C-13-N
  554830.6860  0.0300 -3.9814 3  652.9621123 -58516 303611349      611250        C-13-H3C-13-H2C-13-N
  554861.2200  0.0300 -2.6815 3  642.8031129 -58516 30364 956      63 955        C-13-H3C-13-H2C-13-N
  554912.2573  0.0082 -4.9320 3  625.2455 89  58516 303442222      452125        C-13-H3C-13-H2C-13-N
  554912.2573  0.0082 -4.9320 3  625.2455 89  58516 303442223      452124        C-13-H3C-13-H2C-13-N
  554927.9340  0.0300 -2.6814 3  642.8105129 -58516 30364 955      63 954        C-13-H3C-13-H2C-13-N
  554940.2805  0.0083 -5.8399 3  386.3050103  58516 30351 546      51 349        C-13-H3C-13-H2C-13-N
  554971.9110  0.0500 -3.7504 3 1119.3710129 -58516 303642737      632736        C-13-H3C-13-H2C-13-N
  554971.9110  0.0500 -3.7504 3 1119.3710129 -58516 303642738      632737        C-13-H3C-13-H2C-13-N
  554976.6490  0.0500 -3.9530 3  635.3644121 -58516 303601347      601248        C-13-H3C-13-H2C-13-N
  554976.6490  0.0500 -3.9530 3  635.3644121 -58516 303601348      601249        C-13-H3C-13-H2C-13-N
  555111.2590  0.0500 -3.9255 3  618.0543119 -58516 303591346      591247        C-13-H3C-13-H2C-13-N
  555111.2590  0.0500 -3.9255 3  618.0543119 -58516 303591347      591248        C-13-H3C-13-H2C-13-N
  555234.9513  0.0022 -3.8986 3  601.0320117  58516 303581345      581246        C-13-H3C-13-H2C-13-N
  555234.9559  0.0022 -3.8986 3  601.0320117  58516 303581346      581247        C-13-H3C-13-H2C-13-N
  555242.5980  0.0300 -3.8403 3 1159.3274129 -58516 303642836      632835        C-13-H3C-13-H2C-13-N
  555242.5980  0.0300 -3.8403 3 1159.3274129 -58516 303642837      632836        C-13-H3C-13-H2C-13-N
  555260.8497  0.0027 -4.4082 3  133.3544 27  58516 3031313 0      1312 1        C-13-H3C-13-H2C-13-N
  555260.8497  0.0027 -4.4082 3  133.3544 27  58516 3031313 1      1312 2        C-13-H3C-13-H2C-13-N
  555279.7256  0.0040 -4.8499 3  532.9705 79  58516 303392118      402021        C-13-H3C-13-H2C-13-N
  555279.7256  0.0040 -4.8499 3  532.9705 79  58516 303392119      402020        C-13-H3C-13-H2C-13-N
  555288.9721  0.0027 -4.1300 3  137.3983 29  58516 3031413 1      1412 2        C-13-H3C-13-H2C-13-N
  555288.9721  0.0027 -4.1300 3  137.3983 29  58516 3031413 2      1412 3        C-13-H3C-13-H2C-13-N
  555318.5360  0.0300 -3.9759 3  141.7310 31 -58516 3031513 2      1512 3        C-13-H3C-13-H2C-13-N
  555318.5360  0.0300 -3.9759 3  141.7310 31 -58516 3031513 3      1512 4        C-13-H3C-13-H2C-13-N
  555348.1680  0.0300 -3.8726 3  584.2974115 -58516 303571344      571245        C-13-H3C-13-H2C-13-N
  555348.1680  0.0300 -3.8726 3  584.2974115 -58516 303571345      571246        C-13-H3C-13-H2C-13-N
  555349.5100  0.0300 -3.8723 3  146.3525 33 -58516 3031613 3      1612 4        C-13-H3C-13-H2C-13-N
  555349.5100  0.0300 -3.8723 3  146.3525 33 -58516 3031613 4      1612 5        C-13-H3C-13-H2C-13-N
  555381.5330  0.0300 -3.7962 3  151.2628 35 -58516 3031713 4      1712 5        C-13-H3C-13-H2C-13-N
  555381.5330  0.0300 -3.7962 3  151.2628 35 -58516 3031713 5      1712 6        C-13-H3C-13-H2C-13-N
  555395.1364  0.0024 -3.6664 3  622.3754135  58516 30367 166      66 265        C-13-H3C-13-H2C-13-N
  555396.7636  0.0024 -2.6109 3  622.3754135  58516 30367 266      66 265        C-13-H3C-13-H2C-13-N
  555397.1989  0.0024 -2.6109 3  622.3753135  58516 30367 166      66 165        C-13-H3C-13-H2C-13-N
  555398.8262  0.0024 -3.6664 3  622.3753135  58516 30367 266      66 165        C-13-H3C-13-H2C-13-N
  555414.6920  0.0500 -3.7375 3  156.4618 37 -58516 3031813 5      1812 6        C-13-H3C-13-H2C-13-N
  555414.6920  0.0500 -3.7375 3  156.4618 37 -58516 3031813 6      1812 7        C-13-H3C-13-H2C-13-N
  555448.8110  0.0500 -3.6908 3  161.9497 39 -58516 3031913 6      1912 7        C-13-H3C-13-H2C-13-N
  555448.8110  0.0500 -3.6908 3  161.9497 39 -58516 3031913 7      1912 8        C-13-H3C-13-H2C-13-N
  555451.4480  0.0500 -3.8473 3  567.8507113 -58516 303561343      561244        C-13-H3C-13-H2C-13-N
  555451.4480  0.0500 -3.8473 3  567.8507113 -58516 303561344      561245        C-13-H3C-13-H2C-13-N
  555483.7266  0.0023 -3.6528 3  167.7263 41  58516 3032013 7      2012 8        C-13-H3C-13-H2C-13-N
  555483.7266  0.0023 -3.6528 3  167.7263 41  58516 3032013 8      2012 9        C-13-H3C-13-H2C-13-N
  555519.2760  0.0500 -3.6217 3  173.7916 43 -58516 3032113 8      2112 9        C-13-H3C-13-H2C-13-N
  555519.2760  0.0500 -3.6217 3  173.7916 43 -58516 3032113 9      211210        C-13-H3C-13-H2C-13-N
  555523.9472  0.0603 -5.6369 3 1367.9521197  58516 30398 395      98 296        C-13-H3C-13-H2C-13-N
  555525.3060  0.0603 -5.6369 3 1367.9521197  58516 30398 495      98 396        C-13-H3C-13-H2C-13-N
  555525.8060  0.0500 -3.9335 3 1200.6387129 -58516 303642935      632934        C-13-H3C-13-H2C-13-N
  555525.8060  0.0500 -3.9335 3 1200.6387129 -58516 303642936      632935        C-13-H3C-13-H2C-13-N
  555544.9950  0.0500 -3.8228 3  551.6918111 -58516 303551342      551243        C-13-H3C-13-H2C-13-N
  555544.9950  0.0500 -3.8228 3  551.6918111 -58516 303551343      551244        C-13-H3C-13-H2C-13-N
  555555.2010  0.0500 -3.5960 3  180.1457 45 -58516 3032213 9      221210        C-13-H3C-13-H2C-13-N
  555555.2010  0.0500 -3.5960 3  180.1457 45 -58516 303221310      221211        C-13-H3C-13-H2C-13-N
  555578.4319  0.0033 -4.8166 3  449.3603 69  58516 303342014      351917        C-13-H3C-13-H2C-13-N
  555578.4319  0.0033 -4.8166 3  449.3603 69  58516 303342015      351916        C-13-H3C-13-H2C-13-N
  555591.6250  0.0500 -3.5747 3  186.7886 47 -58516 303231310      231211        C-13-H3C-13-H2C-13-N
  555591.6250  0.0500 -3.5747 3  186.7886 47 -58516 303231311      231212        C-13-H3C-13-H2C-13-N
  555612.6922  0.0061 -5.5408 3  547.9516121  58516 30360 753      60 556        C-13-H3C-13-H2C-13-N
  555628.0320  0.0500 -3.5572 3  193.7201 49 -58516 303241311      241212        C-13-H3C-13-H2C-13-N
  555628.0320  0.0500 -3.5572 3  193.7201 49 -58516 303241312      241213        C-13-H3C-13-H2C-13-N
  555629.4830  0.0500 -3.7991 3  535.8208109 -58516 303541341      541242        C-13-H3C-13-H2C-13-N
  555629.4830  0.0500 -3.7991 3  535.8208109 -58516 303541342      541243        C-13-H3C-13-H2C-13-N
  555664.4720  0.0500 -3.5429 3  200.9403 51 -58516 303251312      251213        C-13-H3C-13-H2C-13-N
  555664.4720  0.0500 -3.5429 3  200.9403 51 -58516 303251313      251214        C-13-H3C-13-H2C-13-N
  555692.5640  0.0300 -2.5823 3  594.9611127 -58516 30363 657      62 656        C-13-H3C-13-H2C-13-N
  555700.6500  0.0500 -3.5313 3  208.4492 53 -58516 303261313      261214        C-13-H3C-13-H2C-13-N
  555700.6500  0.0500 -3.5313 3  208.4492 53 -58516 303261314      261215        C-13-H3C-13-H2C-13-N
  555705.0440  0.0500 -3.7762 3  520.2378107 -58516 303531340      531241        C-13-H3C-13-H2C-13-N
  555705.0440  0.0500 -3.7762 3  520.2378107 -58516 303531341      531242        C-13-H3C-13-H2C-13-N
  555736.3730  0.0300 -3.5223 3  216.2468 55 -58516 303271314      271215        C-13-H3C-13-H2C-13-N
  555736.3730  0.0300 -3.5223 3  216.2468 55 -58516 303271315      271216        C-13-H3C-13-H2C-13-N
  555744.4830  0.0300 -2.6529 3  630.6189129 -58516 30364 857      63 856        C-13-H3C-13-H2C-13-N
  555771.5043  0.0019 -3.5154 3  224.3330 57  58516 303281315      281216        C-13-H3C-13-H2C-13-N
  555771.5043  0.0019 -3.5154 3  224.3330 57  58516 303281316      281217        C-13-H3C-13-H2C-13-N
  555772.3365  0.0020 -3.7540 3  504.9427105  58516 303521339      521240        C-13-H3C-13-H2C-13-N
  555772.3369  0.0020 -3.7540 3  504.9427105  58516 303521340      521241        C-13-H3C-13-H2C-13-N
  555799.4182  0.0037 -4.8527 3  374.4207 59  58516 303291910      301813        C-13-H3C-13-H2C-13-N
  555799.4182  0.0037 -4.8527 3  374.4207 59  58516 303291911      301812        C-13-H3C-13-H2C-13-N
  555805.7410  0.0300 -3.5106 3  232.7078 59 -58516 303291316      291217        C-13-H3C-13-H2C-13-N
  555805.7410  0.0300 -3.5106 3  232.7078 59 -58516 303291317      291218        C-13-H3C-13-H2C-13-N
  555821.2996  0.0031 -4.0298 3 1243.2949129  58516 303643034      633033        C-13-H3C-13-H2C-13-N
  555821.2996  0.0031 -4.0298 3 1243.2949129  58516 303643035      633034        C-13-H3C-13-H2C-13-N
  555831.6020  0.0300 -3.7328 3  489.9356103 -58516 303511338      511239        C-13-H3C-13-H2C-13-N
  555831.6020  0.0300 -3.7328 3  489.9356103 -58516 303511339      511240        C-13-H3C-13-H2C-13-N
  555838.9750  0.0300 -3.5076 3  241.3713 61 -58516 303301317      301218        C-13-H3C-13-H2C-13-N
  555838.9750  0.0300 -3.5076 3  241.3713 61 -58516 303301318      301219        C-13-H3C-13-H2C-13-N
  555870.8230  0.0300 -3.5064 3  250.3234 63 -58516 303311318      311219        C-13-H3C-13-H2C-13-N
  555870.8230  0.0300 -3.5064 3  250.3234 63 -58516 303311319      311220        C-13-H3C-13-H2C-13-N
  555883.2680  0.0300 -3.7123 3  475.2166101 -58516 303501337      501238        C-13-H3C-13-H2C-13-N
  555883.2680  0.0300 -3.7123 3  475.2166101 -58516 303501338      501239        C-13-H3C-13-H2C-13-N
  555901.2480  0.0300 -3.5067 3  259.5640 65 -58516 303321319      321220        C-13-H3C-13-H2C-13-N
  555901.2480  0.0300 -3.5067 3  259.5640 65 -58516 303321320      321221        C-13-H3C-13-H2C-13-N
  555927.6697  0.0019 -3.6927 3  460.7856 99  58516 303491336      491237        C-13-H3C-13-H2C-13-N
  555927.6697  0.0019 -3.6927 3  460.7856 99  58516 303491337      491238        C-13-H3C-13-H2C-13-N
  555929.8990  0.0300 -3.5084 3  269.0932 67 -58516 303331320      331221        C-13-H3C-13-H2C-13-N
  555929.8990  0.0300 -3.5084 3  269.0932 67 -58516 303331321      331222        C-13-H3C-13-H2C-13-N
  555934.0768  0.0040 -5.0075 3  308.1568 49  58516 3032418 6      2517 9        C-13-H3C-13-H2C-13-N
  555934.0768  0.0040 -5.0075 3  308.1568 49  58516 3032418 7      2517 8        C-13-H3C-13-H2C-13-N
  555956.4710  0.0300 -3.9732 3  638.3716133 -58516 30366 462      65 561        C-13-H3C-13-H2C-13-N
  555956.4710  0.0300 -3.5116 3  278.9110 69 -58516 303341321      341222        C-13-H3C-13-H2C-13-N
  555956.4710  0.0300 -3.5116 3  278.9110 69 -58516 303341322      341223        C-13-H3C-13-H2C-13-N
  555965.1860  0.0300 -3.6739 3  446.6427 97 -58516 303481335      481236        C-13-H3C-13-H2C-13-N
  555965.1860  0.0300 -3.6739 3  446.6427 97 -58516 303481336      481237        C-13-H3C-13-H2C-13-N
  555974.3640  0.0041 -5.4594 3  250.5722 39  58516 3031917 2      2016 5        C-13-H3C-13-H2C-13-N
  555974.3640  0.0041 -5.4594 3  250.5722 39  58516 3031917 3      2016 4        C-13-H3C-13-H2C-13-N
  555980.8910  0.0300 -3.5161 3  289.0172 71 -58516 303351322      351223        C-13-H3C-13-H2C-13-N
  555980.8910  0.0300 -3.5161 3  289.0172 71 -58516 303351323      351224        C-13-H3C-13-H2C-13-N
  555996.2640  0.0300 -3.6560 3  432.7880 95 -58516 303471334      471235        C-13-H3C-13-H2C-13-N
  555996.2640  0.0300 -3.6560 3  432.7880 95 -58516 303471335      471236        C-13-H3C-13-H2C-13-N
  556002.6950  0.0300 -3.5218 3  299.4120 73 -58516 303361323      361224        C-13-H3C-13-H2C-13-N
  556002.6950  0.0300 -3.5218 3  299.4120 73 -58516 303361324      361225        C-13-H3C-13-H2C-13-N
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  556021.8028  0.0017 -3.5288 3  310.0952 75  58516 303371325      371226        C-13-H3C-13-H2C-13-N
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  556037.8350  0.0300 -3.5369 3  321.0669 77 -58516 303381326      381227        C-13-H3C-13-H2C-13-N
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  556040.1680  0.0300 -3.6229 3  405.9431 91 -58516 303451333      451234        C-13-H3C-13-H2C-13-N
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  556053.7100  0.0300 -3.6077 3  392.9530 89 -58516 303441332      441233        C-13-H3C-13-H2C-13-N
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  556059.6160  0.0300 -3.5564 3  343.8755 81 -58516 303401328      401229        C-13-H3C-13-H2C-13-N
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  556062.1290  0.0300 -3.5934 3  380.2512 87 -58516 303431331      431232        C-13-H3C-13-H2C-13-N
  556064.7474  0.0018 -3.5677 3  355.7124 83  58516 303411328      411229        C-13-H3C-13-H2C-13-N
  556064.7474  0.0018 -3.5677 3  355.7124 83  58516 303411329      411230        C-13-H3C-13-H2C-13-N
  556065.6948  0.0018 -3.5801 3  367.8376 85  58516 303421329      421230        C-13-H3C-13-H2C-13-N
  556065.6948  0.0018 -3.5801 3  367.8376 85  58516 303421330      421231        C-13-H3C-13-H2C-13-N
  556118.6659  0.0031 -5.4668 3   79.8195 47  58516 30323 519      22 320        C-13-H3C-13-H2C-13-N
  556128.5543  0.0033 -4.1294 3 1287.2858129  58516 303643133      633132        C-13-H3C-13-H2C-13-N
  556128.5543  0.0033 -4.1294 3 1287.2858129  58516 303643134      633133        C-13-H3C-13-H2C-13-N
  556220.5630  0.0300 -2.6286 3  620.0339129 -58516 30364 758      63 757        C-13-H3C-13-H2C-13-N
  556358.1660  0.0082 -5.1369 3  386.2577103  58516 30351 546      51 249        C-13-H3C-13-H2C-13-N
  556382.3680  0.0300 -2.6521 3  630.7038129 -58516 30364 856      63 855        C-13-H3C-13-H2C-13-N
  556447.1724  0.0038 -4.2321 3 1332.6011129  58516 303643232      633231        C-13-H3C-13-H2C-13-N
  556447.1724  0.0038 -4.2321 3 1332.6011129  58516 303643233      633232        C-13-H3C-13-H2C-13-N
  556570.7151  0.0582 -5.8387 3 1526.7682207  58516 303A3 499      A3 3A0        C-13-H3C-13-H2C-13-N
  556580.5845  0.0582 -5.8387 3 1526.7682207  58516 303A3 599      A3 4A0        C-13-H3C-13-H2C-13-N
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  556776.7996  0.0048 -4.3380 3 1379.2303129  58516 303643332      633331        C-13-H3C-13-H2C-13-N
  556882.2719  0.0020 -3.8895 3  564.7239125  58516 30362 558      61 457        C-13-H3C-13-H2C-13-N
  556926.6649  0.0035 -5.3706 3   93.9723 51  58516 30325 520      24 321        C-13-H3C-13-H2C-13-N
  557056.9772  0.0048 -3.6140 3  627.1124137  58516 30368 068      67 167        C-13-H3C-13-H2C-13-N
  557057.0010  0.0500 -2.6109 3  627.1124137 -58516 30368 168      67 167        C-13-H3C-13-H2C-13-N
  557057.0010  0.0500 -2.6109 3  627.1124137 -58516 30368 068      67 067        C-13-H3C-13-H2C-13-N
  557057.0201  0.0048 -3.6140 3  627.1124137  58516 30368 168      67 067        C-13-H3C-13-H2C-13-N
  557117.1148  0.0071 -4.4471 3 1427.1628129  58516 303643430      633429        C-13-H3C-13-H2C-13-N
  557117.1148  0.0071 -4.4471 3 1427.1628129  58516 303643431      633430        C-13-H3C-13-H2C-13-N
  557235.4289  0.0016 -3.4336 3  161.1797 63  58516 30331 725      30 624        C-13-H3C-13-H2C-13-N
  557273.4222  0.0016 -3.4336 3  161.1785 63  58516 30331 724      30 625        C-13-H3C-13-H2C-13-N
  557467.8244  0.0110 -4.5594 3 1476.3878129  58516 303643529      633528        C-13-H3C-13-H2C-13-N
  557467.8244  0.0110 -4.5594 3 1476.3878129  58516 303643530      633529        C-13-H3C-13-H2C-13-N
  557693.3699  0.0017 -3.5447 3  211.4668 75  58516 30337 632      36 531        C-13-H3C-13-H2C-13-N
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  557828.6582  0.0168 -4.6749 3 1526.8944129  58516 303643628      633627        C-13-H3C-13-H2C-13-N
  557828.6582  0.0168 -4.6749 3 1526.8944129  58516 303643629      633628        C-13-H3C-13-H2C-13-N
  558104.3657  0.0076 -5.6771 3  488.2065115  58516 30357 651      57 454        C-13-H3C-13-H2C-13-N
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  558199.3653  0.0251 -4.7937 3 1578.6715129  58516 303643728      633727        C-13-H3C-13-H2C-13-N
  558510.9910  0.0300 -2.6158 3  619.7416131 -58516 30365 561      64 560        C-13-H3C-13-H2C-13-N
  558579.7118  0.0366 -4.9157 3 1631.7080129  58516 303643826      633825        C-13-H3C-13-H2C-13-N
  558579.7118  0.0366 -4.9157 3 1631.7080129  58516 303643827      633826        C-13-H3C-13-H2C-13-N
  558686.0433  0.0768 -5.5490 3 1242.7183189  58516 30394 292      94 193        C-13-H3C-13-H2C-13-N
  558686.1594  0.0768 -5.5490 3 1242.7183189  58516 30394 392      94 293        C-13-H3C-13-H2C-13-N
  558969.4785  0.0518 -5.0409 3 1685.9927129  58516 303643925      633924        C-13-H3C-13-H2C-13-N
  558969.4785  0.0518 -5.0409 3 1685.9927129  58516 303643926      633925        C-13-H3C-13-H2C-13-N
  559099.2976  0.0037 -4.7287 3  110.7192 57  58516 30328 425      27 126        C-13-H3C-13-H2C-13-N
  559309.5310  0.0300 -3.8268 3  628.0134133 -58516 30366 363      65 462        C-13-H3C-13-H2C-13-N
  559368.4588  0.0719 -5.1695 3 1741.5141129  58516 303644024      634023        C-13-H3C-13-H2C-13-N
  559368.4588  0.0719 -5.1695 3 1741.5141129  58516 303644025      634024        C-13-H3C-13-H2C-13-N
  559507.6160  0.0300 -3.3705 3  130.3531 53 -58516 30326 819      25 718        C-13-H3C-13-H2C-13-N
  559507.6160  0.0300 -3.3705 3  130.3531 53 -58516 30326 818      25 719        C-13-H3C-13-H2C-13-N
  559694.1213  0.0063 -5.4869 3  182.2238 71  58516 30335 531      35 234        C-13-H3C-13-H2C-13-N
  559776.4574  0.0977 -5.3014 3 1798.2606129  58516 303644123      634122        C-13-H3C-13-H2C-13-N
  559776.4574  0.0977 -5.3014 3 1798.2606129  58516 303644124      634123        C-13-H3C-13-H2C-13-N
  559973.8716  0.0626 -5.8823 3 1419.1615195  58516 30397 988      961087        C-13-H3C-13-H2C-13-N
  559980.4635  0.1481 -5.5992 3 1122.5517181  58516 30390 189      90 090        C-13-H3C-13-H2C-13-N
  559980.4703  0.1481 -5.5992 3 1122.5517181  58516 30390 289      90 190        C-13-H3C-13-H2C-13-N
  560008.9570  0.0300 -2.6241 3  620.6985129 -58516 30364 757      63 756        C-13-H3C-13-H2C-13-N
  560031.9676  0.0050 -5.4590 3  506.8229115  58516 30357 850      57 651        C-13-H3C-13-H2C-13-N
  560193.2896  0.1306 -5.4367 3 1856.2208129  58516 303644222      634221        C-13-H3C-13-H2C-13-N
  560193.2896  0.1306 -5.4367 3 1856.2208129  58516 303644223      634222        C-13-H3C-13-H2C-13-N
  560345.5960  0.0300 -2.6230 3  628.0134133 -58516 30366 463      65 462        C-13-H3C-13-H2C-13-N
  560377.2480  0.0181 -5.9354 3  887.3498153  58516 30376 968      76 769        C-13-H3C-13-H2C-13-N
  560421.0308  0.0119 -4.6005 3  839.8277151  58516 30375 669      74 768        C-13-H3C-13-H2C-13-N
  560566.3020  0.0300 -2.6226 3  627.9715133 -58516 30366 363      65 362        C-13-H3C-13-H2C-13-N
  560618.7798  0.1721 -5.5754 3 1915.3827129  58516 303644321      634320        C-13-H3C-13-H2C-13-N
  560618.7798  0.1721 -5.5754 3 1915.3827129  58516 303644322      634321        C-13-H3C-13-H2C-13-N
  560630.4170  0.0300 -2.6115 3  619.2522131 -58516 30365 461      64 460        C-13-H3C-13-H2C-13-N
  560658.1495  0.1223 -5.7844 3 1196.0925137  58516 303682741      692644        C-13-H3C-13-H2C-13-N
  560658.1495  0.1223 -5.7844 3 1196.0925137  58516 303682742      692643        C-13-H3C-13-H2C-13-N
  560844.5090  0.0300 -3.3307 3  108.2985 43 -58516 30321 912      20 813        C-13-H3C-13-H2C-13-N
  560844.5090  0.0300 -3.3307 3  108.2985 43 -58516 30321 913      20 812        C-13-H3C-13-H2C-13-N
  560901.6063  0.0097 -5.4379 3  295.7385 91  58516 30345 441      45 144        C-13-H3C-13-H2C-13-N
  561021.6046  0.0029 -3.7209 3  237.6228 81  58516 30340 535      39 436        C-13-H3C-13-H2C-13-N
  561052.7613  0.2238 -5.7176 3 1975.7346129  58516 303644420      634419        C-13-H3C-13-H2C-13-N
  561052.7613  0.2238 -5.7176 3 1975.7346129  58516 303644421      634420        C-13-H3C-13-H2C-13-N
  561277.6922  0.0806 -5.5572 3 1062.0570127  58516 303632637      642540        C-13-H3C-13-H2C-13-N
  561277.6922  0.0806 -5.5572 3 1062.0570127  58516 303632638      642539        C-13-H3C-13-H2C-13-N
  561495.0758  0.2876 -5.8633 3 2037.2644129  58516 303644519      634518        C-13-H3C-13-H2C-13-N
  561495.0758  0.2876 -5.8633 3 2037.2644129  58516 303644520      634519        C-13-H3C-13-H2C-13-N
  561602.3640  0.0300 -3.8231 3  627.9715133 -58516 30366 463      65 362        C-13-H3C-13-H2C-13-N
  561700.6030  0.0300 -2.9391 3  767.4584131 -58516 303651550      641549        C-13-H3C-13-H2C-13-N
  561700.6030  0.0300 -2.9391 3  767.4584131 -58516 303651551      641550        C-13-H3C-13-H2C-13-N
  561704.7840  0.0300 -2.9903 3  790.4267131 -58516 303651649      641648        C-13-H3C-13-H2C-13-N
  561704.7840  0.0300 -2.9903 3  790.4267131 -58516 303651650      641649        C-13-H3C-13-H2C-13-N
  561747.3150  0.0300 -2.8911 3  745.9689131 -58516 303651451      641450        C-13-H3C-13-H2C-13-N
  561747.3150  0.0300 -2.8911 3  745.9689131 -58516 303651452      641451        C-13-H3C-13-H2C-13-N
  561750.3280  0.0300 -3.0447 3  814.8629131 -58516 303651748      641747        C-13-H3C-13-H2C-13-N
  561750.3280  0.0300 -3.0447 3  814.8629131 -58516 303651749      641748        C-13-H3C-13-H2C-13-N
  561814.3350  0.0300 -3.3042 3   94.9579 33 -58516 3031610 6      15 9 7        C-13-H3C-13-H2C-13-N
  561814.3350  0.0300 -3.3042 3   94.9579 33 -58516 3031610 7      15 9 6        C-13-H3C-13-H2C-13-N
  561820.2160  0.0300 -3.7462 3  635.0452135 -58516 30367 265      66 364        C-13-H3C-13-H2C-13-N
  561825.0120  0.0628 -5.6839 3 1395.2675199  58516 30399 396      99 297        C-13-H3C-13-H2C-13-N
  561826.1115  0.0628 -5.6839 3 1395.2675199  58516 30399 496      99 397        C-13-H3C-13-H2C-13-N
  561830.4250  0.0300 -3.1024 3  840.7569131 -58516 303651847      641846        C-13-H3C-13-H2C-13-N
  561830.4250  0.0300 -3.1024 3  840.7569131 -58516 303651848      641847        C-13-H3C-13-H2C-13-N
  561858.5750  0.0300 -2.8464 3  725.9713131 -58516 303651353      641352        C-13-H3C-13-H2C-13-N
  561858.5750  0.0300 -2.8464 3  725.9713131 -58516 303651352      641351        C-13-H3C-13-H2C-13-N
  561869.1850  0.0300 -2.6282 3  635.0452135 -58516 30367 365      66 364        C-13-H3C-13-H2C-13-N
  561870.6297  0.0509 -5.3548 3  936.6430117  58516 303582533      592436        C-13-H3C-13-H2C-13-N
  561870.6297  0.0509 -5.3548 3  936.6430117  58516 303582534      592435        C-13-H3C-13-H2C-13-N
  561881.1000  0.0300 -2.6281 3  635.0431135 -58516 30367 265      66 264        C-13-H3C-13-H2C-13-N
  561930.0930  0.0300 -3.7460 3  635.0431135 -58516 30367 365      66 264        C-13-H3C-13-H2C-13-N
  561940.0300  0.0300 -3.1634 3  868.0991131 -58516 303651946      641945        C-13-H3C-13-H2C-13-N
  561940.0300  0.0300 -3.1634 3  868.0991131 -58516 303651947      641946        C-13-H3C-13-H2C-13-N
  561993.9746  0.0019 -3.8997 3  582.6380127  58516 30363 559      62 458        C-13-H3C-13-H2C-13-N
  562054.7180  0.0300 -2.8049 3  707.4812131 -58516 303651254      641253        C-13-H3C-13-H2C-13-N
  562054.7180  0.0300 -2.8049 3  707.4812131 -58516 303651253      641252        C-13-H3C-13-H2C-13-N
  562060.4380  0.0300 -2.5921 3  607.8834129 -58516 30364 559      63 558        C-13-H3C-13-H2C-13-N
  562075.3420  0.0300 -3.2275 3  896.8803131 -58516 303652045      642044        C-13-H3C-13-H2C-13-N
  562075.3420  0.0300 -3.2275 3  896.8803131 -58516 303652046      642045        C-13-H3C-13-H2C-13-N
  562194.9780  0.0300 -3.5400 3  211.3304 75 -58516 30337 631      36 532        C-13-H3C-13-H2C-13-N
  562233.4680  0.0300 -3.2949 3  927.0916131 -58516 303652144      642143        C-13-H3C-13-H2C-13-N
  562233.4680  0.0300 -3.2949 3  927.0916131 -58516 303652145      642144        C-13-H3C-13-H2C-13-N
  562333.0190  0.0036 -5.3251 3  101.3180 53  58516 30326 521      25 322        C-13-H3C-13-H2C-13-N
  562338.5090  0.0079 -5.5999 3  113.5606 59  58516 30329 327      28 128        C-13-H3C-13-H2C-13-N
  562367.3578  0.0012 -2.7667 3  690.5192131  58516 303651155      641154        C-13-H3C-13-H2C-13-N
  562367.7651  0.0012 -2.7667 3  690.5193131  58516 303651154      641153        C-13-H3C-13-H2C-13-N
  562412.2200  0.0300 -3.3655 3  958.7240131 -58516 303652243      642242        C-13-H3C-13-H2C-13-N
  562412.2200  0.0300 -3.3655 3  958.7240131 -58516 303652244      642243        C-13-H3C-13-H2C-13-N
  562420.1555  0.0105 -4.8813 3  129.8518 63  58516 30331 229      30 130        C-13-H3C-13-H2C-13-N
  562428.2367  0.0303 -5.1790 3  819.8613107  58516 303532429      542332        C-13-H3C-13-H2C-13-N
  562428.2367  0.0303 -5.1790 3  819.8613107  58516 303532430      542331        C-13-H3C-13-H2C-13-N
  562536.8973  0.0065 -5.5722 3  565.4884123  58516 30361 754      61 557        C-13-H3C-13-H2C-13-N
  562588.2640  0.0300 -3.2754 3   90.3100 23 -58516 3031111 0      1010 1        C-13-H3C-13-H2C-13-N
  562588.2640  0.0300 -3.2754 3   90.3100 23 -58516 3031111 1      1010 0        C-13-H3C-13-H2C-13-N
  562609.5180  0.0300 -3.4392 3  991.7685131 -58516 303652342      642341        C-13-H3C-13-H2C-13-N
  562609.5180  0.0300 -3.4392 3  991.7685131 -58516 303652343      642342        C-13-H3C-13-H2C-13-N
  562664.1710  0.0104 -5.5853 3  129.8436 63  58516 30331 229      30 030        C-13-H3C-13-H2C-13-N
  562727.1867  0.0079 -4.9046 3  113.5477 59  58516 30329 327      28 028        C-13-H3C-13-H2C-13-N
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  562824.2110  0.0500 -3.5162 3 1026.2159131 -58516 303652442      642441        C-13-H3C-13-H2C-13-N
  562847.1110  0.0300 -2.7316 3  675.1148131 -58516 303651056      641055        C-13-H3C-13-H2C-13-N
  562853.7900  0.0300 -2.7316 3  675.1155131 -58516 303651055      641054        C-13-H3C-13-H2C-13-N
  562890.3847  0.0611 -5.8889 3 1555.6221209  58516 303A4 4A0      A4 3A1        C-13-H3C-13-H2C-13-N
  562898.4727  0.0611 -5.8889 3 1555.6221209  58516 303A4 5A0      A4 4A1        C-13-H3C-13-H2C-13-N
  562941.5510  0.0166 -5.0327 3  711.7217 97  58516 303482325      492228        C-13-H3C-13-H2C-13-N
  562941.5510  0.0166 -5.0327 3  711.7217 97  58516 303482326      492227        C-13-H3C-13-H2C-13-N
  562965.1474  0.0051 -5.6565 3  133.7231 59  58516 30329 623      29 326        C-13-H3C-13-H2C-13-N
  563054.9760  0.0300 -3.5964 3 1062.0570131 -58516 303652540      642539        C-13-H3C-13-H2C-13-N
  563054.9760  0.0300 -3.5964 3 1062.0570131 -58516 303652541      642540        C-13-H3C-13-H2C-13-N
  563110.4780  0.0300 -2.6291 3  629.1135131 -58516 30365 660      64 659        C-13-H3C-13-H2C-13-N
  563212.3454  0.0045 -5.2647 3  118.9833 59  58516 30329 426      28 227        C-13-H3C-13-H2C-13-N
  563300.8580  0.0300 -3.6798 3 1099.2825131 -58516 303652639      642638        C-13-H3C-13-H2C-13-N
  563300.8580  0.0300 -3.6798 3 1099.2825131 -58516 303652640      642639        C-13-H3C-13-H2C-13-N
  563401.4579  0.0082 -4.9199 3  612.2331 87  58516 303432221      442124        C-13-H3C-13-H2C-13-N
  563401.4579  0.0082 -4.9199 3  612.2331 87  58516 303432222      442123        C-13-H3C-13-H2C-13-N
  563478.2787  0.0026 -3.6850 3  640.9014137  58516 30368 167      67 266        C-13-H3C-13-H2C-13-N
  563479.5622  0.0026 -2.6307 3  640.9014137  58516 30368 267      67 266        C-13-H3C-13-H2C-13-N
  563479.9060  0.0026 -2.6307 3  640.9014137  58516 30368 167      67 166        C-13-H3C-13-H2C-13-N
  563481.1894  0.0026 -3.6850 3  640.9014137  58516 30368 267      67 166        C-13-H3C-13-H2C-13-N
  563560.7230  0.0300 -2.6998 3  661.3113131 -58516 30365 957      64 956        C-13-H3C-13-H2C-13-N
  563561.0092  0.0023 -3.7663 3 1137.8828131  58516 303652738      642737        C-13-H3C-13-H2C-13-N
  563561.0092  0.0023 -3.7663 3 1137.8828131  58516 303652739      642738        C-13-H3C-13-H2C-13-N
  563629.5074  0.0074 -4.9886 3  488.0222115  58516 30357 651      57 354        C-13-H3C-13-H2C-13-N
  563645.4490  0.0300 -2.6997 3  661.3209131 -58516 30365 956      64 955        C-13-H3C-13-H2C-13-N
  563798.7890  0.0041 -4.8476 3  521.4032 77  58516 303382117      392020        C-13-H3C-13-H2C-13-N
  563798.7890  0.0041 -4.8476 3  521.4032 77  58516 303382118      392019        C-13-H3C-13-H2C-13-N
  563834.7600  0.0300 -3.8560 3 1177.8483131 -58516 303652837      642836        C-13-H3C-13-H2C-13-N
  563834.7600  0.0300 -3.8560 3 1177.8483131 -58516 303652838      642837        C-13-H3C-13-H2C-13-N
  564121.4160  0.0300 -3.9489 3 1219.1691131 -58516 303652936      642935        C-13-H3C-13-H2C-13-N
  564121.4160  0.0300 -3.9489 3 1219.1691131 -58516 303652937      642936        C-13-H3C-13-H2C-13-N
  564124.4404  0.0034 -4.8279 3  439.2387 67  58516 303332013      341916        C-13-H3C-13-H2C-13-N
  564124.4404  0.0034 -4.8279 3  439.2387 67  58516 303332014      341915        C-13-H3C-13-H2C-13-N
  564369.5166  0.0038 -4.8860 3  365.7454 57  58516 3032819 9      291812        C-13-H3C-13-H2C-13-N
  564369.5166  0.0038 -4.8860 3  365.7454 57  58516 303281910      291811        C-13-H3C-13-H2C-13-N
  564420.6200  0.0300 -4.0450 3 1261.8351131 -58516 303653035      643034        C-13-H3C-13-H2C-13-N
  564420.6200  0.0300 -4.0450 3 1261.8351131 -58516 303653036      643035        C-13-H3C-13-H2C-13-N
  564460.9910  0.0300 -2.6714 3  649.1566131 -58516 30365 858      64 857        C-13-H3C-13-H2C-13-N
  564525.5077  0.0041 -5.0865 3  300.9279 47  58516 3032318 5      2417 8        C-13-H3C-13-H2C-13-N
  564525.5077  0.0041 -5.0865 3  300.9279 47  58516 3032318 6      2417 7        C-13-H3C-13-H2C-13-N
  564584.5059  0.0041 -5.7131 3  244.7898 37  58516 3031817 1      1916 4        C-13-H3C-13-H2C-13-N
  564584.5059  0.0041 -5.7131 3  244.7898 37  58516 3031817 2      1916 3        C-13-H3C-13-H2C-13-N
  564646.3880  0.0300 -2.6003 3  613.4970129 -58516 30364 658      63 657        C-13-H3C-13-H2C-13-N
  564731.8780  0.0300 -4.1442 3 1305.8363131 -58516 303653134      643133        C-13-H3C-13-H2C-13-N
  564731.8780  0.0300 -4.1442 3 1305.8363131 -58516 303653135      643134        C-13-H3C-13-H2C-13-N
  564845.6940  0.0300 -2.6473 3  638.5874131 -58516 30365 759      64 758        C-13-H3C-13-H2C-13-N
  564889.3000  0.0500 -3.5522 3  222.2337 77 -58516 30338 633      37 532        C-13-H3C-13-H2C-13-N
  564985.6062  0.0792 -5.5935 3 1268.7579191  58516 30395 293      95 194        C-13-H3C-13-H2C-13-N
  564985.6990  0.0792 -5.5935 3 1268.7579191  58516 30395 393      95 294        C-13-H3C-13-H2C-13-N
  565054.6196  0.0040 -4.2466 3 1351.1622131  58516 303653233      643232        C-13-H3C-13-H2C-13-N
  565054.6196  0.0040 -4.2466 3 1351.1622131  58516 303653234      643233        C-13-H3C-13-H2C-13-N
  565073.7543  0.0031 -5.4184 3   86.4632 49  58516 30324 520      23 321        C-13-H3C-13-H2C-13-N
  565092.7874  0.0246 -4.9978 3 1008.5278165  58516 30382 775      81 874        C-13-H3C-13-H2C-13-N
  565141.5599  0.0050 -3.6338 3  645.6938139  58516 30369 069      68 168        C-13-H3C-13-H2C-13-N
  565141.5810  0.0300 -2.6310 3  645.6938139 -58516 30369 169      68 168        C-13-H3C-13-H2C-13-N
  565141.5810  0.0300 -2.6310 3  645.6938139 -58516 30369 069      68 068        C-13-H3C-13-H2C-13-N
  565141.5932  0.0050 -3.6338 3  645.6938139  58516 30369 169      68 068        C-13-H3C-13-H2C-13-N
  565237.9480  0.0300 -2.6704 3  649.2627131 -58516 30365 857      64 856        C-13-H3C-13-H2C-13-N
  565388.5470  0.0500 -4.3521 3 1397.8024131 -58516 303653332      643331        C-13-H3C-13-H2C-13-N
  565388.5470  0.0500 -4.3521 3 1397.8024131 -58516 303653333      643332        C-13-H3C-13-H2C-13-N
  565665.3500  0.0300 -3.4329 3  170.1486 65 -58516 30332 726      31 625        C-13-H3C-13-H2C-13-N
  565695.0700  0.0300 -3.9812 3  657.2734135 -58516 30367 463      66 562        C-13-H3C-13-H2C-13-N
  565721.3340  0.0300 -3.4328 3  170.1469 65 -58516 30332 725      31 626        C-13-H3C-13-H2C-13-N
  565733.4400  0.0300 -4.4608 3 1445.7462131 -58516 303653431      643430        C-13-H3C-13-H2C-13-N
  565733.4400  0.0300 -4.4608 3 1445.7462131 -58516 303653432      643431        C-13-H3C-13-H2C-13-N
  566088.9608  0.0116 -4.5727 3 1494.9829131  58516 303653530      643529        C-13-H3C-13-H2C-13-N
  566088.9608  0.0116 -4.5727 3 1494.9829131  58516 303653531      643530        C-13-H3C-13-H2C-13-N
  566298.6689  0.1538 -5.6409 3 1147.3121183  58516 30391 190      91 091        C-13-H3C-13-H2C-13-N
  566298.6742  0.1538 -5.6409 3 1147.3121183  58516 30391 290      91 191        C-13-H3C-13-H2C-13-N
  566341.5813  0.0047 -5.4415 3  490.1118113  58516 30356 849      56 650        C-13-H3C-13-H2C-13-N
  566454.7336  0.0176 -4.6878 3 1545.5015131  58516 303653629      643628        C-13-H3C-13-H2C-13-N
  566454.7336  0.0176 -4.6878 3 1545.5015131  58516 303653630      643629        C-13-H3C-13-H2C-13-N
  566574.4060  0.0500 -4.2447 3  725.8103141 -58516 30370 565      69 664        C-13-H3C-13-H2C-13-N
  566611.0360  0.0119 -5.9213 3  175.3419 71  58516 30335 432      35 135        C-13-H3C-13-H2C-13-N
  566661.1480  0.0300 -2.6357 3  638.3716133 -58516 30366 562      65 561        C-13-H3C-13-H2C-13-N
  566701.3804  0.0077 -4.3904 3  172.3686 71  58516 30335 332      34 233        C-13-H3C-13-H2C-13-N
  566830.5533  0.0261 -4.8061 3 1597.2910131  58516 303653728      643727        C-13-H3C-13-H2C-13-N
  566830.5533  0.0261 -4.8061 3 1597.2910131  58516 303653729      643728        C-13-H3C-13-H2C-13-N
  567216.1787  0.0377 -4.9275 3 1650.3403131  58516 303653827      643826        C-13-H3C-13-H2C-13-N
  567216.1787  0.0377 -4.9275 3 1650.3403131  58516 303653828      643827        C-13-H3C-13-H2C-13-N
  567408.7666  0.0036 -5.2810 3  108.9665 55  58516 30327 522      26 323        C-13-H3C-13-H2C-13-N
  567434.9190  0.0500 -3.9108 3  600.8141129 -58516 30364 560      63 459        C-13-H3C-13-H2C-13-N
  567570.5080  0.0300 -3.8418 3  646.7045135 -58516 30367 364      66 463        C-13-H3C-13-H2C-13-N
  567611.3834  0.0533 -5.0522 3 1704.6379131  58516 303653926      643925        C-13-H3C-13-H2C-13-N
  567611.3834  0.0533 -5.0522 3 1704.6379131  58516 303653927      643926        C-13-H3C-13-H2C-13-N
  567936.6508  0.0051 -5.7220 3  125.1700 57  58516 30328 622      28 325        C-13-H3C-13-H2C-13-N
  568015.9546  0.0737 -5.1802 3 1760.1726131  58516 303654025      644024        C-13-H3C-13-H2C-13-N
  568015.9546  0.0737 -5.1802 3 1760.1726131  58516 303654026      644025        C-13-H3C-13-H2C-13-N
  568104.8040  0.0300 -3.3655 3  137.8645 55 -58516 30327 820      26 719        C-13-H3C-13-H2C-13-N
  568104.8040  0.0300 -3.3655 3  137.8645 55 -58516 30327 819      26 720        C-13-H3C-13-H2C-13-N
  568118.3215  0.0654 -5.7316 3 1422.8491201  58516 303A0 397      A0 298        C-13-H3C-13-H2C-13-N
  568119.2110  0.0654 -5.7316 3 1422.8491201  58516 303A0 497      A0 398        C-13-H3C-13-H2C-13-N
  568423.4190  0.0300 -2.6433 3  646.7045135 -58516 30367 464      66 463        C-13-H3C-13-H2C-13-N
  568429.6913  0.1000 -5.3114 3 1816.9328131  58516 303654124      644123        C-13-H3C-13-H2C-13-N
  568429.6913  0.1000 -5.3114 3 1816.9328131  58516 303654125      644124        C-13-H3C-13-H2C-13-N
  568508.9370  0.0300 -2.6319 3  637.9529133 -58516 30366 462      65 461        C-13-H3C-13-H2C-13-N
  568606.5660  0.0300 -2.6429 3  646.6699135 -58516 30367 364      66 363        C-13-H3C-13-H2C-13-N
  568852.4031  0.1334 -5.4459 3 1874.9068131  58516 303654223      644222        C-13-H3C-13-H2C-13-N
  568852.4031  0.1334 -5.4459 3 1874.9068131  58516 303654224      644223        C-13-H3C-13-H2C-13-N
  568960.7126  0.1223 -5.7447 3 1176.1585135  58516 303672740      682643        C-13-H3C-13-H2C-13-N
  568960.7126  0.1223 -5.7447 3 1176.1585135  58516 303672741      682642        C-13-H3C-13-H2C-13-N
  568967.7731  0.0064 -5.4802 3  192.3517 73  58516 30336 532      36 235        C-13-H3C-13-H2C-13-N
  569174.3360  0.0300 -2.6423 3  639.3784131 -58516 30365 758      64 757        C-13-H3C-13-H2C-13-N
  569199.6376  0.0642 -5.9399 3 1584.7412211  58516 303A5 4A1      A5 3A2        C-13-H3C-13-H2C-13-N
  569206.2644  0.0642 -5.9398 3 1584.7413211  58516 303A5 5A1      A5 4A2        C-13-H3C-13-H2C-13-N
  569283.9093  0.1755 -5.5838 3 1934.0829131  58516 303654322      644321        C-13-H3C-13-H2C-13-N
  569283.9093  0.1755 -5.5838 3 1934.0829131  58516 303654323      644322        C-13-H3C-13-H2C-13-N
  569423.0670  0.0074 -5.0942 3  172.2778 71  58516 30335 332      34 133        C-13-H3C-13-H2C-13-N
  569459.4910  0.0300 -3.8389 3  646.6699135 -58516 30367 464      66 363        C-13-H3C-13-H2C-13-N
  569498.1470  0.0300 -3.3225 3  114.3622 45 -58516 30322 914      21 813        C-13-H3C-13-H2C-13-N
  569498.1470  0.0300 -3.3225 3  114.3622 45 -58516 30322 913      21 814        C-13-H3C-13-H2C-13-N
  569624.2579  0.0806 -5.5221 3 1043.5618125  58516 303622636      632539        C-13-H3C-13-H2C-13-N
  569624.2579  0.0806 -5.5221 3 1043.5618125  58516 303622637      632538        C-13-H3C-13-H2C-13-N
  569724.0384  0.2280 -5.7251 3 1994.4493131  58516 303654421      644420        C-13-H3C-13-H2C-13-N
  569724.0384  0.2280 -5.7251 3 1994.4493131  58516 303654422      644421        C-13-H3C-13-H2C-13-N
  569906.1720  0.0300 -3.7641 3  653.7871137 -58516 30368 266      67 365        C-13-H3C-13-H2C-13-N
  569945.5700  0.0300 -2.6486 3  653.7871137 -58516 30368 366      67 365        C-13-H3C-13-H2C-13-N
  569955.1840  0.0300 -2.6486 3  653.7855137 -58516 30368 266      67 265        C-13-H3C-13-H2C-13-N
  569994.5580  0.0300 -3.7640 3  653.7855137 -58516 30368 366      67 265        C-13-H3C-13-H2C-13-N
  570132.2910  0.0300 -2.6124 3  626.6317131 -58516 30365 560      64 559        C-13-H3C-13-H2C-13-N
  570172.6274  0.2929 -5.8698 3 2055.9939131  58516 303654520      644519        C-13-H3C-13-H2C-13-N
  570172.6274  0.2929 -5.8698 3 2055.9939131  58516 303654521      644520        C-13-H3C-13-H2C-13-N
  570258.3753  0.0509 -5.3247 3  919.5884115  58516 303572532      582435        C-13-H3C-13-H2C-13-N
  570258.3753  0.0509 -5.3247 3  919.5884115  58516 303572533      582434        C-13-H3C-13-H2C-13-N
  570286.9360  0.0500 -3.0090 3  809.1632133 -58516 303661650      651649        C-13-H3C-13-H2C-13-N
  570286.9360  0.0500 -3.0090 3  809.1632133 -58516 303661651      651650        C-13-H3C-13-H2C-13-N
  570288.0910  0.0500 -2.9578 3  786.1947133 -58516 303661551      651550        C-13-H3C-13-H2C-13-N
  570288.0910  0.0500 -2.9578 3  786.1947133 -58516 303661552      651551        C-13-H3C-13-H2C-13-N
  570326.4721  0.0069 -5.6063 3  583.2995125  58516 30362 755      62 558        C-13-H3C-13-H2C-13-N
  570328.8900  0.0300 -3.0633 3  833.6009133 -58516 303661749      651748        C-13-H3C-13-H2C-13-N
  570328.8900  0.0300 -3.0633 3  833.6009133 -58516 303661750      651749        C-13-H3C-13-H2C-13-N
  570342.0170  0.0300 -2.9100 3  764.7068133 -58516 303661453      651452        C-13-H3C-13-H2C-13-N
  570342.0170  0.0300 -2.9100 3  764.7068133 -58516 303661452      651451        C-13-H3C-13-H2C-13-N
  570406.5530  0.0500 -3.1209 3  859.4975133 -58516 303661848      651847        C-13-H3C-13-H2C-13-N
  570406.5530  0.0500 -3.1209 3  859.4975133 -58516 303661849      651848        C-13-H3C-13-H2C-13-N
  570426.7968  0.0167 -5.9035 3  865.0255151  58516 30375 967      75 768        C-13-H3C-13-H2C-13-N
  570463.2600  0.0300 -2.8653 3  744.7129133 -58516 303661354      651353        C-13-H3C-13-H2C-13-N
  570463.2600  0.0300 -2.8653 3  744.7129133 -58516 303661353      651352        C-13-H3C-13-H2C-13-N
  570486.6780  0.0500 -3.2944 3   99.5773 35 -58516 3031710 7      16 9 8        C-13-H3C-13-H2C-13-N
  570486.6780  0.0500 -3.2944 3   99.5773 35 -58516 3031710 8      16 9 7        C-13-H3C-13-H2C-13-N
  570514.7520  0.0500 -3.1817 3  886.8434133 -58516 303661947      651946        C-13-H3C-13-H2C-13-N
  570514.7520  0.0500 -3.1817 3  886.8434133 -58516 303661948      651947        C-13-H3C-13-H2C-13-N
  570649.5470  0.0500 -3.2457 3  915.6291133 -58516 303662046      652045        C-13-H3C-13-H2C-13-N
  570649.5470  0.0500 -3.2457 3  915.6291133 -58516 303662047      652046        C-13-H3C-13-H2C-13-N
  570673.1860  0.0300 -2.8239 3  726.2293133 -58516 303661255      651254        C-13-H3C-13-H2C-13-N
  570673.1860  0.0300 -2.8239 3  726.2293133 -58516 303661254      651253        C-13-H3C-13-H2C-13-N
  570694.6158  0.0017 -3.5463 3  222.0587 77  58516 30338 632      37 533        C-13-H3C-13-H2C-13-N
  570807.7330  0.0500 -3.3129 3  945.8457133 -58516 303662145      652144        C-13-H3C-13-H2C-13-N
  570807.7330  0.0500 -3.3129 3  945.8457133 -58516 303662146      652145        C-13-H3C-13-H2C-13-N
  570854.2814  0.0303 -5.1546 3  804.2489105  58516 303522428      532331        C-13-H3C-13-H2C-13-N
  570854.2814  0.0303 -5.1546 3  804.2489105  58516 303522429      532330        C-13-H3C-13-H2C-13-N
  570987.1070  0.0300 -3.3834 3  977.4841133 -58516 303662244      652243        C-13-H3C-13-H2C-13-N
  570987.1070  0.0300 -3.3834 3  977.4841133 -58516 303662245      652244        C-13-H3C-13-H2C-13-N
  571005.1590  0.0013 -2.7858 3  709.2778133  58516 303661156      651155        C-13-H3C-13-H2C-13-N
  571005.7111  0.0013 -2.7858 3  709.2778133  58516 303661155      651154        C-13-H3C-13-H2C-13-N
  571185.7430  0.0300 -3.4570 3 1010.5351133 -58516 303662343      652342        C-13-H3C-13-H2C-13-N
  571185.7430  0.0300 -3.4570 3 1010.5351133 -58516 303662344      652343        C-13-H3C-13-H2C-13-N
  571263.8100  0.0300 -3.2678 3   93.4861 25 -58516 3031211 1      1110 2        C-13-H3C-13-H2C-13-N
  571263.8100  0.0300 -3.2678 3   93.4861 25 -58516 3031211 2      1110 1        C-13-H3C-13-H2C-13-N
  571279.1745  0.0815 -5.6386 3 1295.0643193  58516 30396 294      96 195        C-13-H3C-13-H2C-13-N
  571279.2486  0.0815 -5.6386 3 1295.0643193  58516 30396 394      96 295        C-13-H3C-13-H2C-13-N
  571402.1330  0.0300 -3.5338 3 1044.9897133 -58516 303662442      652441        C-13-H3C-13-H2C-13-N
  571402.1330  0.0300 -3.5338 3 1044.9897133 -58516 303662443      652442        C-13-H3C-13-H2C-13-N
  571402.9746  0.0166 -5.0148 3  697.5528 95  58516 303472324      482227        C-13-H3C-13-H2C-13-N
  571402.9746  0.0166 -5.0148 3  697.5528 95  58516 303472325      482226        C-13-H3C-13-H2C-13-N
  571470.5440  0.0300 -2.6490 3  647.8969133 -58516 30366 661      65 660        C-13-H3C-13-H2C-13-N
  571512.3670  0.0300 -2.7508 3  693.8894133 -58516 303661057      651056        C-13-H3C-13-H2C-13-N
  571513.9363  0.0039 -4.6835 3  118.7064 59  58516 30329 426      28 127        C-13-H3C-13-H2C-13-N
  571521.1280  0.0300 -2.7508 3  693.8902133 -58516 303661056      651055        C-13-H3C-13-H2C-13-N
  571558.8227  0.0027 -3.7045 3  659.6971139  58516 30369 168      68 267        C-13-H3C-13-H2C-13-N
  571559.9730  0.0500 -2.6514 3  659.6971139 -58516 30369 268      68 267        C-13-H3C-13-H2C-13-N
  571560.1061  0.0027 -2.6514 3  659.6970139  58516 30369 168      68 167        C-13-H3C-13-H2C-13-N
  571561.1182  0.0027 -3.7045 3  659.6970139  58516 30369 268      68 167        C-13-H3C-13-H2C-13-N
  571635.0070  0.0300 -3.6138 3 1080.8385133 -58516 303662541      652540        C-13-H3C-13-H2C-13-N
  571635.0070  0.0300 -3.6138 3 1080.8385133 -58516 303662542      652541        C-13-H3C-13-H2C-13-N
  571845.9990  0.0300 -3.5611 3  233.3002 79 -58516 30339 634      38 533        C-13-H3C-13-H2C-13-N
  571859.1401  0.0044 -4.7763 3  208.6608 77  58516 30338 434      37 235        C-13-H3C-13-H2C-13-N
  571883.3900  0.0300 -3.6969 3 1118.0722133 -58516 303662640      652639        C-13-H3C-13-H2C-13-N
  571883.3900  0.0300 -3.6969 3 1118.0722133 -58516 303662641      652640        C-13-H3C-13-H2C-13-N
  571895.3225  0.0082 -4.9101 3  599.5086 85  58516 303422220      432123        C-13-H3C-13-H2C-13-N
  571895.3225  0.0082 -4.9101 3  599.5086 85  58516 303422221      432122        C-13-H3C-13-H2C-13-N
  572146.3360  0.0300 -3.7833 3 1156.6812133 -58516 303662739      652738        C-13-H3C-13-H2C-13-N
  572146.3360  0.0300 -3.7833 3 1156.6812133 -58516 303662740      652739        C-13-H3C-13-H2C-13-N
  572176.9503  0.0045 -5.4252 3  473.7076111  58516 30355 848      55 649        C-13-H3C-13-H2C-13-N
  572178.7945  0.0037 -5.2382 3  116.9174 57  58516 30328 523      27 324        C-13-H3C-13-H2C-13-N
  572260.7920  0.0500 -2.7191 3  680.1097133 -58516 30366 958      65 957        C-13-H3C-13-H2C-13-N
  572322.1631  0.0041 -4.8483 3  510.1241 75  58516 303372116      382019        C-13-H3C-13-H2C-13-N
  572322.1631  0.0041 -4.8483 3  510.1241 75  58516 303372117      382018        C-13-H3C-13-H2C-13-N
  572367.9490  0.0500 -2.7189 3  680.1221133 -58516 30366 957      65 956        C-13-H3C-13-H2C-13-N
  572423.1820  0.0300 -3.8728 3 1196.6558133 -58516 303662838      652837        C-13-H3C-13-H2C-13-N
  572423.1820  0.0300 -3.8728 3 1196.6558133 -58516 303662839      652838        C-13-H3C-13-H2C-13-N
  572606.6381  0.0051 -5.7897 3  116.9174 55  58516 30327 621      27 324        C-13-H3C-13-H2C-13-N
  572612.0035  0.1596 -5.6834 3 1172.3399185  58516 30392 191      92 092        C-13-H3C-13-H2C-13-N
  572612.0077  0.1596 -5.6834 3 1172.3399185  58516 30392 291      92 192        C-13-H3C-13-H2C-13-N
  572674.4272  0.0035 -4.8438 3  429.4057 65  58516 303322012      331915        C-13-H3C-13-H2C-13-N
  572674.4272  0.0035 -4.8438 3  429.4057 65  58516 303322013      331914        C-13-H3C-13-H2C-13-N
  572713.2960  0.0500 -3.9654 3 1237.9862133 -58516 303662937      652936        C-13-H3C-13-H2C-13-N
  572713.2960  0.0500 -3.9654 3 1237.9862133 -58516 303662938      652937        C-13-H3C-13-H2C-13-N
  572767.3506  0.0080 -5.7234 3  504.7350117  58516 30358 652      58 455        C-13-H3C-13-H2C-13-N
  572943.2855  0.0039 -4.9276 3  357.3588 55  58516 3032719 8      281811        C-13-H3C-13-H2C-13-N
  572943.2855  0.0039 -4.9276 3  357.3588 55  58516 3032719 9      281810        C-13-H3C-13-H2C-13-N
  573016.1000  0.0500 -4.0612 3 1280.6622133 -58516 303663036      653035        C-13-H3C-13-H2C-13-N
  573016.1000  0.0500 -4.0612 3 1280.6622133 -58516 303663037      653036        C-13-H3C-13-H2C-13-N
  573120.3380  0.0500 -5.1869 3  293.9880 45 -58516 3032218 4      2317 7        C-13-H3C-13-H2C-13-N
  573120.3380  0.0500 -5.1869 3  293.9880 45 -58516 3032218 5      2317 6        C-13-H3C-13-H2C-13-N
  573172.9570  0.0300 -2.6907 3  667.9850133 -58516 30366 859      65 858        C-13-H3C-13-H2C-13-N
  573182.9450  0.0018 -3.9228 3  619.2522131  58516 30365 561      64 460        C-13-H3C-13-H2C-13-N
  573223.5939  0.0052 -3.6544 3  664.5449141  58516 30370 070      69 169        C-13-H3C-13-H2C-13-N
  573223.6110  0.0300 -2.6520 3  664.5449141 -58516 30370 170      69 169        C-13-H3C-13-H2C-13-N
  573223.6110  0.0300 -2.6520 3  664.5449141 -58516 30370 070      69 069        C-13-H3C-13-H2C-13-N
  573223.6197  0.0052 -3.6544 3  664.5449141  58516 30370 170      69 069        C-13-H3C-13-H2C-13-N
  573231.5394  0.0054 -4.0306 3  220.1058 79  58516 30339 435      38 336        C-13-H3C-13-H2C-13-N
  573331.1790  0.0300 -4.1601 3 1324.6737133 -58516 303663135      653134        C-13-H3C-13-H2C-13-N
  573331.1790  0.0300 -4.1601 3 1324.6737133 -58516 303663136      653135        C-13-H3C-13-H2C-13-N
  573451.6970  0.0500 -2.6669 3  657.4286133 -58516 30366 760      65 759        C-13-H3C-13-H2C-13-N
  573515.8352  0.0032 -3.7401 3  249.1781 83  58516 30341 536      40 437        C-13-H3C-13-H2C-13-N
  573534.6010  0.0300 -2.6194 3  632.3316131 -58516 30365 659      64 658        C-13-H3C-13-H2C-13-N
  573658.1170  0.0300 -4.2622 3 1370.0104133 -58516 303663234      653233        C-13-H3C-13-H2C-13-N
  573658.1170  0.0300 -4.2622 3 1370.0104133 -58516 303663235      653234        C-13-H3C-13-H2C-13-N
  573898.9980  0.0088 -5.8890 3  400.9948105  58516 30352 547      52 350        C-13-H3C-13-H2C-13-N
  573996.3890  0.0300 -4.3674 3 1416.6617133 -58516 303663333      653332        C-13-H3C-13-H2C-13-N
  573996.3890  0.0300 -4.3674 3 1416.6617133 -58516 303663334      653333        C-13-H3C-13-H2C-13-N
  574065.2240  0.0300 -3.4332 3  179.4087 67 -58516 30333 727      32 626        C-13-H3C-13-H2C-13-N
  574113.9360  0.0300 -2.6896 3  668.1170133 -58516 30366 858      65 857        C-13-H3C-13-H2C-13-N
  574146.5290  0.0300 -3.4331 3  179.4061 67 -58516 30333 726      32 627        C-13-H3C-13-H2C-13-N
  574157.7518  0.0030 -5.3733 3   93.3933 51  58516 30325 521      24 322        C-13-H3C-13-H2C-13-N
  574345.8070  0.0500 -4.4758 3 1464.6171133 -58516 303663432      653431        C-13-H3C-13-H2C-13-N
  574345.8070  0.0500 -4.4758 3 1464.6171133 -58516 303663433      653432        C-13-H3C-13-H2C-13-N
  574403.9280  0.0682 -5.7800 3 1450.6967203  58516 303A1 398      A1 299        C-13-H3C-13-H2C-13-N
  574404.6477  0.0682 -5.7800 3 1450.6967203  58516 303A1 498      A1 399        C-13-H3C-13-H2C-13-N
  574706.0230  0.0123 -4.5873 3 1513.8656133  58516 303663531      653530        C-13-H3C-13-H2C-13-N
  574706.0230  0.0123 -4.5873 3 1513.8656133  58516 303663532      653531        C-13-H3C-13-H2C-13-N
  574796.8910  0.0300 -2.6564 3  657.2734135 -58516 30367 563      66 562        C-13-H3C-13-H2C-13-N
  575059.6305  0.0087 -5.1845 3  400.9560105  58516 30352 547      52 250        C-13-H3C-13-H2C-13-N
  575076.7050  0.0184 -4.7020 3 1564.3964133  58516 303663630      653629        C-13-H3C-13-H2C-13-N
  575076.7050  0.0184 -4.7020 3 1564.3964133  58516 303663631      653630        C-13-H3C-13-H2C-13-N
  575201.7230  0.0300 -3.9912 3  676.4465137 -58516 30368 464      67 563        C-13-H3C-13-H2C-13-N
  575457.6084  0.0272 -4.8198 3 1616.1985133  58516 303663729      653728        C-13-H3C-13-H2C-13-N
  575457.6084  0.0272 -4.8198 3 1616.1985133  58516 303663730      653729        C-13-H3C-13-H2C-13-N
  575795.7660  0.0300 -3.8580 3  665.6651137 -58516 30368 365      67 464        C-13-H3C-13-H2C-13-N
  575848.4840  0.0391 -4.9408 3 1669.2606133  58516 303663828      653827        C-13-H3C-13-H2C-13-N
  575848.4840  0.0391 -4.9408 3 1669.2606133  58516 303663829      653828        C-13-H3C-13-H2C-13-N
  576014.6654  0.0424 -5.4337 3 1218.1248181  58516 30390 882      89 981        C-13-H3C-13-H2C-13-N
  576249.0988  0.0549 -5.0649 3 1723.5714133  58516 303663927      653926        C-13-H3C-13-H2C-13-N
  576249.0988  0.0549 -5.0649 3 1723.5714133  58516 303663928      653927        C-13-H3C-13-H2C-13-N
  576399.8160  0.0300 -2.6532 3  656.9163135 -58516 30367 463      66 462        C-13-H3C-13-H2C-13-N
  576496.9800  0.0300 -2.6643 3  665.6651137 -58516 30368 465      67 464        C-13-H3C-13-H2C-13-N
  576648.6720  0.0300 -2.6640 3  665.6366137 -58516 30368 365      67 364        C-13-H3C-13-H2C-13-N
  576659.2333  0.0757 -5.1923 3 1779.1196133  58516 303664026      654025        C-13-H3C-13-H2C-13-N
  576659.2333  0.0757 -5.1923 3 1779.1196133  58516 303664027      654026        C-13-H3C-13-H2C-13-N
  576678.5386  0.0037 -5.1963 3  125.1700 59  58516 30329 524      28 325        C-13-H3C-13-H2C-13-N
  576691.4935  0.0017 -3.3615 3  145.6656 57  58516 30328 821      27 720        C-13-H3C-13-H2C-13-N
  576691.7774  0.0017 -3.3615 3  145.6656 57  58516 30328 820      27 721        C-13-H3C-13-H2C-13-N
  576771.0461  0.0122 -4.5976 3  861.5047153  58516 30376 670      75 769        C-13-H3C-13-H2C-13-N
  576939.6296  0.0050 -5.8599 3  108.9665 53  58516 30326 620      26 323        C-13-H3C-13-H2C-13-N
  577078.6806  0.1024 -5.3229 3 1835.8936133  58516 303664125      654124        C-13-H3C-13-H2C-13-N
  577078.6806  0.1024 -5.3229 3 1835.8936133  58516 303664126      654125        C-13-H3C-13-H2C-13-N
  577269.8738  0.1222 -5.7060 3 1156.5103133  58516 303662739      672642        C-13-H3C-13-H2C-13-N
  577269.8738  0.1222 -5.7060 3 1156.5103133  58516 303662740      672641        C-13-H3C-13-H2C-13-N
  577349.9470  0.0300 -3.8556 3  665.6366137 -58516 30368 465      67 364        C-13-H3C-13-H2C-13-N
  577393.6810  0.0078 -5.0298 3  504.5807117  58516 30358 652      58 355        C-13-H3C-13-H2C-13-N
  577507.2446  0.1365 -5.4567 3 1893.8817133  58516 303664224      654223        C-13-H3C-13-H2C-13-N
  577507.2446  0.1365 -5.4567 3 1893.8817133  58516 303664225      654224        C-13-H3C-13-H2C-13-N
  577539.6990  0.0043 -5.4101 3  457.6101109  58516 30354 847      54 648        C-13-H3C-13-H2C-13-N
  577566.7422  0.0838 -5.6844 3 1321.6373195  58516 30397 295      97 196        C-13-H3C-13-H2C-13-N
  577566.8014  0.0838 -5.6844 3 1321.6373195  58516 30397 395      97 296        C-13-H3C-13-H2C-13-N
  577574.1230  0.0047 -5.2472 3  127.1950 61  58516 30330 427      29 228        C-13-H3C-13-H2C-13-N
  577944.7394  0.1793 -5.5939 3 1953.0722133  58516 303664323      654322        C-13-H3C-13-H2C-13-N
  577944.7394  0.1793 -5.5939 3 1953.0722133  58516 303664324      654323        C-13-H3C-13-H2C-13-N
  577977.0267  0.0806 -5.4882 3 1025.3531123  58516 303612635      622538        C-13-H3C-13-H2C-13-N
  577977.0267  0.0806 -5.4882 3 1025.3531123  58516 303612636      622537        C-13-H3C-13-H2C-13-N
  577987.7780  0.0300 -3.7830 3  672.7985139 -58516 30369 267      68 366        C-13-H3C-13-H2C-13-N
  578019.4070  0.0300 -2.6699 3  672.7985139 -58516 30369 367      68 366        C-13-H3C-13-H2C-13-N
  578027.1580  0.0300 -2.6699 3  672.7971139 -58516 30369 267      68 266        C-13-H3C-13-H2C-13-N
  578058.7520  0.0300 -3.7829 3  672.7971139 -58516 30369 367      68 266        C-13-H3C-13-H2C-13-N
  578139.7300  0.0300 -2.6335 3  645.6493133 -58516 30366 561      65 560        C-13-H3C-13-H2C-13-N
  578148.0200  0.0300 -3.3153 3  120.7149 47 -58516 30323 915      22 814        C-13-H3C-13-H2C-13-N
  578148.0200  0.0300 -3.3153 3  120.7149 47 -58516 30323 914      22 815        C-13-H3C-13-H2C-13-N
  578357.2860  0.0300 -2.6614 3  658.3640133 -58516 30366 759      65 758        C-13-H3C-13-H2C-13-N
  578390.9886  0.2326 -5.7343 3 2013.4532133  58516 303664422      654421        C-13-H3C-13-H2C-13-N
  578390.9886  0.2326 -5.7343 3 2013.4532133  58516 303664423      654422        C-13-H3C-13-H2C-13-N
  578531.6990  0.0300 -3.5715 3  244.6674 81 -58516 30340 635      39 534        C-13-H3C-13-H2C-13-N
  578576.1493  0.0057 -4.9428 3  495.6898115  58516 30357 750      57 453        C-13-H3C-13-H2C-13-N
  578595.7828  0.0059 -4.9405 3  512.5542117  58516 30358 751      58 454        C-13-H3C-13-H2C-13-N
  578651.9304  0.0508 -5.2960 3  902.8208113  58516 303562531      572434        C-13-H3C-13-H2C-13-N
  578651.9304  0.0508 -5.2960 3  902.8208113  58516 303562532      572433        C-13-H3C-13-H2C-13-N
  578795.2498  0.0065 -5.4770 3  202.7522 75  58516 30337 533      37 236        C-13-H3C-13-H2C-13-N
  578845.8243  0.2984 -5.8781 3 2075.0128133  58516 303664521      654520        C-13-H3C-13-H2C-13-N
  578845.8243  0.2984 -5.8781 3 2075.0128133  58516 303664522      654521        C-13-H3C-13-H2C-13-N
  578866.4440  0.0300 -3.0286 3  828.1859135 -58516 303671651      661650        C-13-H3C-13-H2C-13-N
  578866.4440  0.0300 -3.0286 3  828.1859135 -58516 303671652      661651        C-13-H3C-13-H2C-13-N
  578872.9530  0.0300 -2.9776 3  805.2174135 -58516 303671552      661551        C-13-H3C-13-H2C-13-N
  578872.9530  0.0300 -2.9776 3  805.2174135 -58516 303671553      661552        C-13-H3C-13-H2C-13-N
  578904.4870  0.0300 -3.0828 3  852.6250135 -58516 303671750      661749        C-13-H3C-13-H2C-13-N
  578904.4870  0.0300 -3.0828 3  852.6250135 -58516 303671751      661750        C-13-H3C-13-H2C-13-N
  578920.4345  0.1655 -5.7265 3 1197.6350187  58516 30393 192      93 093        C-13-H3C-13-H2C-13-N
  578920.4378  0.1655 -5.7265 3 1197.6350187  58516 30393 292      93 193        C-13-H3C-13-H2C-13-N
  578934.4720  0.0300 -2.9298 3  783.7314135 -58516 303671454      661453        C-13-H3C-13-H2C-13-N
  578934.4720  0.0300 -2.9298 3  783.7314135 -58516 303671453      661452        C-13-H3C-13-H2C-13-N
  578979.5860  0.0300 -3.1403 3  878.5242135 -58516 303671849      661848        C-13-H3C-13-H2C-13-N
  578979.5860  0.0300 -3.1403 3  878.5242135 -58516 303671850      661849        C-13-H3C-13-H2C-13-N
  579030.4886  0.0074 -5.6431 3  601.3841127  58516 30363 756      63 559        C-13-H3C-13-H2C-13-N
  579061.2994  0.0676 -5.9042 3 1447.1578197  58516 30398 989      971088        C-13-H3C-13-H2C-13-N
  579066.0760  0.0300 -2.8852 3  763.7415135 -58516 303671355      661354        C-13-H3C-13-H2C-13-N
  579066.0760  0.0300 -2.8852 3  763.7415135 -58516 303671354      661353        C-13-H3C-13-H2C-13-N
  579086.2210  0.0300 -3.2010 3  905.8737135 -58516 303671948      661947        C-13-H3C-13-H2C-13-N
  579086.2210  0.0300 -3.2010 3  905.8737135 -58516 303671949      661948        C-13-H3C-13-H2C-13-N
  579158.4370  0.0300 -3.2852 3  104.4855 37 -58516 3031810 8      17 9 9        C-13-H3C-13-H2C-13-N
  579158.4370  0.0300 -3.2852 3  104.4855 37 -58516 3031810 9      17 9 8        C-13-H3C-13-H2C-13-N
  579213.7200  0.0300 -3.9359 3  637.9529133 -58516 30366 562      65 461        C-13-H3C-13-H2C-13-N
  579220.2780  0.0300 -3.2649 3  934.6639135 -58516 303672047      662046        C-13-H3C-13-H2C-13-N
  579220.2780  0.0300 -3.2649 3  934.6639135 -58516 303672048      662047        C-13-H3C-13-H2C-13-N
  579264.3070  0.0300 -3.5540 3  233.0778 79 -58516 30339 633      38 534        C-13-H3C-13-H2C-13-N
  579285.7472  0.0303 -5.1318 3  788.9239103  58516 303512427      522330        C-13-H3C-13-H2C-13-N
  579285.7472  0.0303 -5.1318 3  788.9239103  58516 303512428      522329        C-13-H3C-13-H2C-13-N
  579290.3150  0.0300 -2.8439 3  745.2649135 -58516 303671256      661255        C-13-H3C-13-H2C-13-N
  579290.3150  0.0300 -2.8439 3  745.2649135 -58516 303671255      661254        C-13-H3C-13-H2C-13-N
  579378.5430  0.0300 -3.3320 3  964.8858135 -58516 303672146      662145        C-13-H3C-13-H2C-13-N
  579378.5430  0.0300 -3.3320 3  964.8858135 -58516 303672147      662146        C-13-H3C-13-H2C-13-N
  579394.8264  0.0048 -4.2455 3  745.9795143  58516 30371 566      70 665        C-13-H3C-13-H2C-13-N
  579558.5720  0.0300 -3.4022 3  996.5301135 -58516 303672245      662244        C-13-H3C-13-H2C-13-N
  579558.5720  0.0300 -3.4022 3  996.5301135 -58516 303672246      662245        C-13-H3C-13-H2C-13-N
  579598.5329  0.0056 -4.9494 3  479.0897113  58516 30356 749      56 452        C-13-H3C-13-H2C-13-N
  579636.7479  0.0029 -3.7249 3  678.7623141  58516 30370 169      69 268        C-13-H3C-13-H2C-13-N
  579637.5458  0.0029 -2.6729 3  678.7623141  58516 30370 269      69 268        C-13-H3C-13-H2C-13-N
  579637.7600  0.0029 -2.6729 3  678.7622141  58516 30370 169      69 168        C-13-H3C-13-H2C-13-N
  579638.5579  0.0029 -3.7249 3  678.7622141  58516 30370 269      69 168        C-13-H3C-13-H2C-13-N
  579642.3537  0.0013 -2.8058 3  728.3245135  58516 303671157      661156        C-13-H3C-13-H2C-13-N
  579643.0978  0.0013 -2.8058 3  728.3245135  58516 303671156      661155        C-13-H3C-13-H2C-13-N
  579716.1530  0.0061 -4.9430 3  529.6817119  58516 30359 752      59 455        C-13-H3C-13-H2C-13-N
  579758.4010  0.0300 -3.4757 3 1029.5878135 -58516 303672344      662343        C-13-H3C-13-H2C-13-N
  579758.4010  0.0300 -3.4757 3 1029.5878135 -58516 303672345      662344        C-13-H3C-13-H2C-13-N
  579804.6370  0.0300 -2.6698 3  666.9591135 -58516 30367 662      66 661        C-13-H3C-13-H2C-13-N
  579869.4398  0.0166 -4.9990 3  683.6716 93  58516 303462323      472226        C-13-H3C-13-H2C-13-N
  579869.4398  0.0166 -4.9990 3  683.6716 93  58516 303462324      472225        C-13-H3C-13-H2C-13-N
  579940.3450  0.0300 -3.2597 3   96.9510 27 -58516 3031311 2      1210 3        C-13-H3C-13-H2C-13-N
  579940.3450  0.0300 -3.2597 3   96.9510 27 -58516 3031311 3      1210 2        C-13-H3C-13-H2C-13-N
  579976.3790  0.0500 -3.5524 3 1064.0496135 -58516 303672443      662442        C-13-H3C-13-H2C-13-N
  579976.3790  0.0500 -3.5524 3 1064.0496135 -58516 303672444      662443        C-13-H3C-13-H2C-13-N
  580177.9750  0.0300 -2.7709 3  712.9530135 -58516 303671058      661057        C-13-H3C-13-H2C-13-N
  580189.3930  0.0300 -2.7709 3  712.9541135 -58516 303671057      661056        C-13-H3C-13-H2C-13-N
  580211.3020  0.0300 -3.6322 3 1099.9062135 -58516 303672542      662541        C-13-H3C-13-H2C-13-N
  580211.3020  0.0300 -3.6322 3 1099.9062135 -58516 303672543      662542        C-13-H3C-13-H2C-13-N
  580277.1514  0.0154 -5.8715 3  842.9974149  58516 30374 966      74 767        C-13-H3C-13-H2C-13-N
  580393.8617  0.0083 -4.9028 3  587.0723 83  58516 303412219      422122        C-13-H3C-13-H2C-13-N
  580393.8617  0.0083 -4.9028 3  587.0723 83  58516 303412220      422121        C-13-H3C-13-H2C-13-N
  580462.0850  0.0300 -3.7151 3 1137.1482135 -58516 303672641      662640        C-13-H3C-13-H2C-13-N
  580462.0850  0.0300 -3.7151 3 1137.1482135 -58516 303672642      662641        C-13-H3C-13-H2C-13-N
  580681.8787  0.0710 -5.8291 3 1478.8103205  58516 303A2 399      A2 2A0        C-13-H3C-13-H2C-13-N
  580682.4610  0.0710 -5.8291 3 1478.8103205  58516 303A2 499      A2 3A0        C-13-H3C-13-H2C-13-N
  580727.7900  0.0300 -3.8013 3 1175.7660135 -58516 303672740      662739        C-13-H3C-13-H2C-13-N
  580727.7900  0.0300 -3.8013 3 1175.7660135 -58516 303672741      662740        C-13-H3C-13-H2C-13-N
  580849.8617  0.0042 -4.8523 3  499.1334 73  58516 303362115      372018        C-13-H3C-13-H2C-13-N
  580849.8617  0.0042 -4.8523 3  499.1334 73  58516 303362116      372017        C-13-H3C-13-H2C-13-N
  580953.2342  0.0038 -5.1550 3  133.7231 61  58516 30330 525      29 326        C-13-H3C-13-H2C-13-N
  580961.3600  0.0300 -2.7392 3  699.1982135 -58516 30367 959      66 958        C-13-H3C-13-H2C-13-N
  581007.7360  0.0300 -3.8905 3 1215.7498135 -58516 303672839      662838        C-13-H3C-13-H2C-13-N
  581007.7360  0.0300 -3.8905 3 1215.7498135 -58516 303672840      662839        C-13-H3C-13-H2C-13-N
  581090.3380  0.0082 -5.5970 3  121.5701 61  58516 30330 328      29 129        C-13-H3C-13-H2C-13-N
  581096.1140  0.0300 -2.7391 3  699.2143135 -58516 30367 958      66 957        C-13-H3C-13-H2C-13-N
  581228.4090  0.0036 -4.8648 3  419.8613 63  58516 303312011      321914        C-13-H3C-13-H2C-13-N
  581228.4090  0.0036 -4.8648 3  419.8613 63  58516 303312012      321913        C-13-H3C-13-H2C-13-N
  581301.1810  0.0030 -3.9829 3 1257.0898135  58516 303672938      662937        C-13-H3C-13-H2C-13-N
  581301.1810  0.0030 -3.9829 3 1257.0898135  58516 303672939      662938        C-13-H3C-13-H2C-13-N
  581303.0449  0.0055 -3.6759 3  683.6656143  58516 30371 071      70 170        C-13-H3C-13-H2C-13-N
  581303.0550  0.0300 -2.6737 3  683.6656143 -58516 30371 171      70 170        C-13-H3C-13-H2C-13-N
  581303.0550  0.0300 -2.6737 3  683.6656143 -58516 30371 071      70 070        C-13-H3C-13-H2C-13-N
  581303.0649  0.0055 -3.6759 3  683.6656143  58516 30371 171      70 070        C-13-H3C-13-H2C-13-N
  581398.6013  0.0082 -4.8994 3  121.5598 61  58516 30330 328      29 029        C-13-H3C-13-H2C-13-N
  581508.6964  0.0165 -5.9027 3 1728.9979211  58516 303A51491      A51392        C-13-H3C-13-H2C-13-N
  581520.7442  0.0040 -4.9791 3  349.2610 53  58516 3032619 7      271810        C-13-H3C-13-H2C-13-N
  581520.7442  0.0040 -4.9791 3  349.2610 53  58516 3032619 8      2718 9        C-13-H3C-13-H2C-13-N
  581597.0772  0.0055 -4.9602 3  462.7550111  58516 30355 748      55 451        C-13-H3C-13-H2C-13-N
  581607.6560  0.0300 -4.0785 3 1299.7760135 -58516 303673037      663036        C-13-H3C-13-H2C-13-N
  581607.6560  0.0300 -4.0785 3 1299.7760135 -58516 303673038      663037        C-13-H3C-13-H2C-13-N
  581718.5622  0.0043 -5.3171 3  287.3369 43  58516 3032118 3      2217 6        C-13-H3C-13-H2C-13-N
  581718.5622  0.0043 -5.3171 3  287.3369 43  58516 3032118 4      2217 5        C-13-H3C-13-H2C-13-N
  581735.2957  0.0161 -5.9024 3 1728.9896211  58516 303A51492      A51393        C-13-H3C-13-H2C-13-N
  581879.2650  0.0300 -2.7110 3  687.1040135 -58516 30367 860      66 859        C-13-H3C-13-H2C-13-N
  581926.5760  0.0300 -4.1772 3 1343.7980135 -58516 303673136      663135        C-13-H3C-13-H2C-13-N
  581926.5760  0.0300 -4.1772 3 1343.7980135 -58516 303673137      663136        C-13-H3C-13-H2C-13-N
  581988.5762  0.0063 -4.9502 3  547.0718121  58516 30360 753      60 456        C-13-H3C-13-H2C-13-N
  582037.1960  0.0300 -2.6875 3  676.5569135 -58516 30367 761      66 760        C-13-H3C-13-H2C-13-N
  582257.5240  0.0045 -4.2790 3 1389.1456135  58516 303673235      663234        C-13-H3C-13-H2C-13-N
  582257.5240  0.0045 -4.2790 3 1389.1456135  58516 303673236      663235        C-13-H3C-13-H2C-13-N
  582352.5390  0.0300 -2.6396 3  651.4627133 -58516 30366 660      65 659        C-13-H3C-13-H2C-13-N
  582390.7187  0.0103 -5.4810 3  308.5867 93  58516 30346 442      46 145        C-13-H3C-13-H2C-13-N
  582431.5502  0.0016 -3.4347 3  188.9600 69  58516 30334 728      33 627        C-13-H3C-13-H2C-13-N
  582439.8203  0.0041 -5.3963 3  441.8190107  58516 30353 846      53 647        C-13-H3C-13-H2C-13-N
  582456.4386  0.0155 -5.8438 3 1698.8299209  58516 303A41490      A41391        C-13-H3C-13-H2C-13-N
  582548.1590  0.0300 -3.4345 3  188.9563 69 -58516 30334 727      33 628        C-13-H3C-13-H2C-13-N
  582600.1340  0.0300 -4.3839 3 1435.8082135 -58516 303673334      663333        C-13-H3C-13-H2C-13-N
  582600.1340  0.0300 -4.3839 3 1435.8082135 -58516 303673335      663334        C-13-H3C-13-H2C-13-N
  582639.6668  0.0153 -5.8436 3 1698.8232209  58516 303A41491      A41392        C-13-H3C-13-H2C-13-N
  582919.3800  0.0300 -2.6779 3  676.4465137 -58516 30368 564      67 563        C-13-H3C-13-H2C-13-N
  582954.0657  0.0088 -4.4919 3 1483.7752135  58516 303673433      663432        C-13-H3C-13-H2C-13-N
  582954.0657  0.0088 -4.4919 3 1483.7752135  58516 303673434      663433        C-13-H3C-13-H2C-13-N
  583012.4140  0.0300 -2.7097 3  687.2674135 -58516 30367 859      66 858        C-13-H3C-13-H2C-13-N
  583318.9545  0.0131 -4.6031 3 1533.0357135  58516 303673532      663531        C-13-H3C-13-H2C-13-N
  583318.9545  0.0131 -4.6031 3 1533.0357135  58516 303673533      663532        C-13-H3C-13-H2C-13-N
  583364.5717  0.0147 -5.7856 3 1668.9463207  58516 303A31489      A31390        C-13-H3C-13-H2C-13-N
  583393.3065  0.0030 -5.3311 3  100.6093 53  58516 30326 522      25 323        C-13-H3C-13-H2C-13-N
  583484.7612  0.0255 -5.0003 3 1032.2405167  58516 30383 776      82 875        C-13-H3C-13-H2C-13-N
  583512.2753  0.0146 -5.7854 3 1668.9409207  58516 303A31490      A31391        C-13-H3C-13-H2C-13-N
  583694.5156  0.0195 -4.7173 3 1583.5789135  58516 303673631      663630        C-13-H3C-13-H2C-13-N
  583694.5156  0.0195 -4.7173 3 1583.5789135  58516 303673632      663631        C-13-H3C-13-H2C-13-N
  583848.3018  0.0860 -5.7308 3 1348.4770197  58516 30398 296      98 197        C-13-H3C-13-H2C-13-N
  583848.3491  0.0860 -5.7308 3 1348.4770197  58516 30398 396      98 297        C-13-H3C-13-H2C-13-N
  583990.7390  0.0300 -3.8753 3  684.8949139 -58516 30369 366      68 465        C-13-H3C-13-H2C-13-N
  584080.4732  0.0284 -4.8348 3 1635.3937135  58516 303673730      663729        C-13-H3C-13-H2C-13-N
  584080.4732  0.0284 -4.8348 3 1635.3937135  58516 303673731      663730        C-13-H3C-13-H2C-13-N
  584234.9758  0.0140 -5.7281 3 1639.3470205  58516 303A21488      A21389        C-13-H3C-13-H2C-13-N
  584303.5320  0.0500 -2.6752 3  676.1429137 -58516 30368 464      67 463        C-13-H3C-13-H2C-13-N
  584353.6729  0.0139 -5.7279 3 1639.3427205  58516 303A21489      A21390        C-13-H3C-13-H2C-13-N
  584476.5704  0.0406 -4.9553 3 1688.4688135  58516 303673829      663828        C-13-H3C-13-H2C-13-N
  584476.5704  0.0406 -4.9553 3 1688.4688135  58516 303673830      663829        C-13-H3C-13-H2C-13-N
  584499.3542  0.0055 -4.9750 3  446.6874109  58516 30354 747      54 450        C-13-H3C-13-H2C-13-N
  584502.3320  0.0300 -4.0029 3  695.8906139 -58516 30369 465      68 564        C-13-H3C-13-H2C-13-N
  584549.8039  0.0041 -4.6454 3  126.9624 61  58516 30330 427      29 128        C-13-H3C-13-H2C-13-N
  584566.5620  0.0300 -2.6862 3  684.8949139 -58516 30369 466      68 465        C-13-H3C-13-H2C-13-N
  584691.9970  0.0300 -2.6860 3  684.8715139 -58516 30369 366      68 365        C-13-H3C-13-H2C-13-N
  584808.8218  0.1791 -5.9061 3 1275.4808141  58516 303702842      712745        C-13-H3C-13-H2C-13-N
  584808.8218  0.1791 -5.9061 3 1275.4808141  58516 303702843      712744        C-13-H3C-13-H2C-13-N
  584882.5669  0.0567 -5.0790 3 1742.7930135  58516 303673928      663927        C-13-H3C-13-H2C-13-N
  584882.5669  0.0567 -5.0790 3 1742.7930135  58516 303673929      663928        C-13-H3C-13-H2C-13-N
  584913.2670  0.0300 -3.5833 3  256.3365 83 -58516 30341 636      40 535        C-13-H3C-13-H2C-13-N
  585057.0288  0.0037 -5.1144 3  142.5757 63  58516 30331 526      30 327        C-13-H3C-13-H2C-13-N
  585069.3693  0.0134 -5.6713 3 1610.0322203  58516 303A11487      A11388        C-13-H3C-13-H2C-13-N
  585164.4567  0.0134 -5.6711 3 1610.0288203  58516 303A11488      A11389        C-13-H3C-13-H2C-13-N
  585223.9289  0.1715 -5.7703 3 1223.1974189  58516 30394 193      94 094        C-13-H3C-13-H2C-13-N
  585223.9315  0.1715 -5.7703 3 1223.1974189  58516 30394 293      94 194        C-13-H3C-13-H2C-13-N
  585266.8805  0.0016 -3.3585 3  153.7563 59  58516 30329 822      28 721        C-13-H3C-13-H2C-13-N
  585267.3521  0.0016 -3.3585 3  153.7563 59  58516 30329 821      28 722        C-13-H3C-13-H2C-13-N
  585267.7924  0.0017 -3.8733 3  684.8715139  58516 30369 466      68 365        C-13-H3C-13-H2C-13-N
  585298.2368  0.0779 -5.2058 3 1798.3549135  58516 303674027      664026        C-13-H3C-13-H2C-13-N
  585298.2368  0.0779 -5.2058 3 1798.3549135  58516 303674028      664027        C-13-H3C-13-H2C-13-N
  585456.9260  0.0066 -4.9623 3  564.7239123  58516 30361 754      61 457        C-13-H3C-13-H2C-13-N
  585501.7020  0.0300 -3.9500 3  656.9163135 -58516 30367 563      66 462        C-13-H3C-13-H2C-13-N
  585585.6296  0.1222 -5.6686 3 1137.1482131  58516 303652738      662641        C-13-H3C-13-H2C-13-N
  585585.6296  0.1222 -5.6686 3 1137.1482131  58516 303652739      662640        C-13-H3C-13-H2C-13-N
  585714.7799  0.0106 -4.8882 3  138.4057 65  58516 30332 230      31 131        C-13-H3C-13-H2C-13-N
  585723.3669  0.1051 -5.3358 3 1855.1428135  58516 303674126      664125        C-13-H3C-13-H2C-13-N
  585723.3669  0.1051 -5.3358 3 1855.1428135  58516 303674127      664126        C-13-H3C-13-H2C-13-N
  585869.3273  0.0129 -5.6151 3 1581.0019201  58516 303A01486      A01387        C-13-H3C-13-H2C-13-N
  585907.5978  0.0106 -5.5928 3  138.3992 65  58516 30332 230      31 031        C-13-H3C-13-H2C-13-N
  585945.2590  0.0129 -5.6150 3 1580.9992201  58516 303A01487      A01388        C-13-H3C-13-H2C-13-N
  586065.2780  0.0300 -3.8028 3  692.0791141 -58516 30370 268      69 367        C-13-H3C-13-H2C-13-N
  586089.4450  0.0500 -2.6556 3  664.9339135 -58516 30367 562      66 561        C-13-H3C-13-H2C-13-N
  586090.7280  0.0300 -2.6920 3  692.0791141 -58516 30370 368      69 367        C-13-H3C-13-H2C-13-N
  586096.9180  0.0300 -2.6920 3  692.0781141 -58516 30370 268      69 267        C-13-H3C-13-H2C-13-N
  586122.2954  0.0021 -3.8027 3  692.0781141  58516 30370 368      69 267        C-13-H3C-13-H2C-13-N
  586157.7555  0.1398 -5.4690 3 1913.1452135  58516 303674225      664224        C-13-H3C-13-H2C-13-N
  586157.7555  0.1398 -5.4690 3 1913.1452135  58516 303674226      664225        C-13-H3C-13-H2C-13-N
  586335.9968  0.0806 -5.4556 3 1007.4309121  58516 303602634      612537        C-13-H3C-13-H2C-13-N
  586335.9968  0.0806 -5.4556 3 1007.4309121  58516 303602635      612536        C-13-H3C-13-H2C-13-N
  586601.2113  0.1833 -5.6055 3 1972.3504135  58516 303674324      664323        C-13-H3C-13-H2C-13-N
  586601.2113  0.1833 -5.6055 3 1972.3504135  58516 303674325      664324        C-13-H3C-13-H2C-13-N
  586636.2990  0.0124 -5.5596 3 1552.2562199  58516 303991485      991386        C-13-H3C-13-H2C-13-N
  586656.5910  0.0300 -3.7618 3  261.0158 85 -58516 30342 537      41 438        C-13-H3C-13-H2C-13-N
  586696.7388  0.0124 -5.5596 3 1552.2540199  58516 303991486      991387        C-13-H3C-13-H2C-13-N
  586793.7280  0.0300 -3.3089 3  127.3566 49 -58516 30324 916      23 815        C-13-H3C-13-H2C-13-N
  586793.7280  0.0300 -3.3089 3  127.3566 49 -58516 30324 915      23 816        C-13-H3C-13-H2C-13-N
  586894.4391  0.0039 -5.3840 3  426.3336105  58516 30352 845      52 646        C-13-H3C-13-H2C-13-N
  586952.2158  0.0740 -5.8788 3 1507.1896207  58516 303A3 3A0      A3 2A1        C-13-H3C-13-H2C-13-N
  586952.6869  0.0740 -5.8788 3 1507.1896207  58516 303A3 4A0      A3 3A1        C-13-H3C-13-H2C-13-N
  587051.2958  0.0508 -5.2688 3  886.3403111  58516 303552530      562433        C-13-H3C-13-H2C-13-N
  587051.2958  0.0508 -5.2688 3  886.3403111  58516 303552531      562432        C-13-H3C-13-H2C-13-N
  587053.5527  0.2375 -5.7452 3 2032.7463135  58516 303674423      664422        C-13-H3C-13-H2C-13-N
  587053.5527  0.2375 -5.7452 3 2032.7463135  58516 303674424      664423        C-13-H3C-13-H2C-13-N
  587371.6226  0.0120 -5.5048 3 1523.7951197  58516 303981484      981385        C-13-H3C-13-H2C-13-N
  587419.5743  0.0120 -5.5048 3 1523.7933197  58516 303981485      981386        C-13-H3C-13-H2C-13-N
  587443.0730  0.0300 -3.0491 3  847.4948137 -58516 303681652      671651        C-13-H3C-13-H2C-13-N
  587443.0730  0.0300 -3.0491 3  847.4948137 -58516 303681653      671652        C-13-H3C-13-H2C-13-N
  587455.2820  0.0300 -2.9982 3  824.5266137 -58516 303681553      671552        C-13-H3C-13-H2C-13-N
  587455.2820  0.0300 -2.9982 3  824.5266137 -58516 303681554      671553        C-13-H3C-13-H2C-13-N
  587477.0850  0.0300 -3.1033 3  871.9352137 -58516 303681751      671750        C-13-H3C-13-H2C-13-N
  587477.0850  0.0300 -3.1033 3  871.9352137 -58516 303681752      671751        C-13-H3C-13-H2C-13-N
  587514.6073  0.3043 -5.8882 3 2094.3210135  58516 303674522      664521        C-13-H3C-13-H2C-13-N
  587514.6073  0.3043 -5.8882 3 2094.3210135  58516 303674523      664522        C-13-H3C-13-H2C-13-N
  587524.6470  0.0300 -2.9505 3  803.0426137 -58516 303681455      671454        C-13-H3C-13-H2C-13-N
  587524.6470  0.0300 -2.9505 3  803.0426137 -58516 303681454      671453        C-13-H3C-13-H2C-13-N
  587549.3750  0.0300 -3.1606 3  897.8369137 -58516 303681850      671849        C-13-H3C-13-H2C-13-N
  587549.3750  0.0300 -3.1606 3  897.8369137 -58516 303681851      671850        C-13-H3C-13-H2C-13-N
  587550.8000  0.0500 -2.6815 3  677.6559135 -58516 30367 760      66 759        C-13-H3C-13-H2C-13-N
  587654.4140  0.0300 -3.2212 3  925.1899137 -58516 303681949      671948        C-13-H3C-13-H2C-13-N
  587654.4140  0.0300 -3.2212 3  925.1899137 -58516 303681950      671949        C-13-H3C-13-H2C-13-N
  587667.0020  0.0300 -2.9060 3  783.0571137 -58516 303681356      671355        C-13-H3C-13-H2C-13-N
  587667.0020  0.0300 -2.9060 3  783.0571137 -58516 303681355      671354        C-13-H3C-13-H2C-13-N
  587712.0309  0.0030 -3.7461 3  698.0969143  58516 30371 170      70 269        C-13-H3C-13-H2C-13-N
  587712.7430  0.0300 -2.6953 3  698.0969143 -58516 30371 270      70 269        C-13-H3C-13-H2C-13-N
  587712.7430  0.0300 -2.6953 3  698.0969143 -58516 30371 170      70 169        C-13-H3C-13-H2C-13-N
  587713.4578  0.0030 -3.7461 3  698.0969143  58516 30371 270      70 169        C-13-H3C-13-H2C-13-N
  587722.6375  0.0303 -5.1107 3  773.8863101  58516 303502426      512329        C-13-H3C-13-H2C-13-N
  587722.6375  0.0303 -5.1107 3  773.8863101  58516 303502427      512328        C-13-H3C-13-H2C-13-N
  587787.6510  0.0300 -3.2850 3  953.9847137 -58516 303682048      672047        C-13-H3C-13-H2C-13-N
  587787.6510  0.0300 -3.2850 3  953.9847137 -58516 303682049      672048        C-13-H3C-13-H2C-13-N
  587829.3030  0.0300 -3.2766 3  109.6824 39 -58516 3031910 9      18 910        C-13-H3C-13-H2C-13-N
  587829.3030  0.0300 -3.2766 3  109.6824 39 -58516 303191010      18 9 9        C-13-H3C-13-H2C-13-N
  587906.0730  0.0300 -2.8648 3  764.5880137 -58516 303681257      671256        C-13-H3C-13-H2C-13-N
  587906.0730  0.0300 -2.8648 3  764.5880137 -58516 303681256      671255        C-13-H3C-13-H2C-13-N
  587926.2690  0.0300 -3.5629 3  244.3874 81 -58516 30340 634      39 535        C-13-H3C-13-H2C-13-N
  587945.8700  0.0300 -3.3519 3  984.2118137 -58516 303682147      672146        C-13-H3C-13-H2C-13-N
  587945.8700  0.0300 -3.3519 3  984.2118137 -58516 303682148      672147        C-13-H3C-13-H2C-13-N
  588076.5379  0.0115 -5.4507 3 1495.6186195  58516 303971483      971384        C-13-H3C-13-H2C-13-N
  588113.2230  0.0500 -2.6915 3  686.2993137 -58516 30368 663      67 662        C-13-H3C-13-H2C-13-N
  588114.4560  0.0115 -5.4507 3 1495.6172195  58516 303971484      971385        C-13-H3C-13-H2C-13-N
  588125.8840  0.0047 -4.7880 3  219.6090 79  58516 30339 435      38 236        C-13-H3C-13-H2C-13-N
  588126.4400  0.0300 -3.4221 3 1015.8621137 -58516 303682246      672245        C-13-H3C-13-H2C-13-N
  588126.4400  0.0300 -3.4221 3 1015.8621137 -58516 303682247      672246        C-13-H3C-13-H2C-13-N
  588227.2361  0.0054 -4.9932 3  430.8885107  58516 30353 746      53 449        C-13-H3C-13-H2C-13-N
  588278.9110  0.0500 -2.8267 3  747.6593137 -58516 303681158      671157        C-13-H3C-13-H2C-13-N
  588279.9430  0.0500 -2.8267 3  747.6593137 -58516 303681157      671156        C-13-H3C-13-H2C-13-N
  588327.3420  0.0300 -3.4954 3 1048.9265137 -58516 303682345      672344        C-13-H3C-13-H2C-13-N
  588327.3420  0.0300 -3.4954 3 1048.9265137 -58516 303682346      672345        C-13-H3C-13-H2C-13-N
  588340.9528  0.0166 -4.9851 3  670.0782 91  58516 303452322      462225        C-13-H3C-13-H2C-13-N
  588340.9528  0.0166 -4.9851 3  670.0782 91  58516 303452323      462224        C-13-H3C-13-H2C-13-N
  588475.2605  0.0084 -5.7721 3  521.5348119  58516 30359 653      59 456        C-13-H3C-13-H2C-13-N
  588546.9160  0.0300 -3.5719 3 1083.3955137 -58516 303682444      672443        C-13-H3C-13-H2C-13-N
  588546.9160  0.0300 -3.5719 3 1083.3955137 -58516 303682445      672444        C-13-H3C-13-H2C-13-N
  588617.6210  0.0300 -3.2514 3  100.7046 29 -58516 3031411 3      1310 4        C-13-H3C-13-H2C-13-N
  588617.6210  0.0300 -3.2514 3  100.7046 29 -58516 3031411 4      1310 3        C-13-H3C-13-H2C-13-N
  588694.1934  0.0080 -5.6827 3  619.7416129  58516 30364 757      64 560        C-13-H3C-13-H2C-13-N
  588752.1985  0.0111 -5.3973 3 1467.7269193  58516 303961482      961383        C-13-H3C-13-H2C-13-N
  588782.0819  0.0111 -5.3973 3 1467.7258193  58516 303961483      961384        C-13-H3C-13-H2C-13-N
  588783.8370  0.0300 -3.6516 3 1119.2600137 -58516 303682543      672542        C-13-H3C-13-H2C-13-N
  588783.8370  0.0300 -3.6516 3 1119.2600137 -58516 303682544      672543        C-13-H3C-13-H2C-13-N
  588843.9260  0.0300 -2.7919 3  732.3056137 -58516 303681059      671058        C-13-H3C-13-H2C-13-N
  588858.7380  0.0300 -2.7919 3  732.3072137 -58516 303681058      671057        C-13-H3C-13-H2C-13-N
  588897.0849  0.0083 -4.8980 3  574.9242 81  58516 303402218      412121        C-13-H3C-13-H2C-13-N
  588897.0849  0.0083 -4.8980 3  574.9242 81  58516 303402219      412120        C-13-H3C-13-H2C-13-N
  589036.9560  0.0300 -3.7344 3 1156.5103137 -58516 303682642      672641        C-13-H3C-13-H2C-13-N
  589036.9560  0.0300 -3.7344 3 1156.5103137 -58516 303682643      672642        C-13-H3C-13-H2C-13-N
  589052.1165  0.0037 -5.0742 3  151.7260 65  58516 30332 527      31 328        C-13-H3C-13-H2C-13-N
  589175.6925  0.0066 -5.4770 3  213.4250 77  58516 30338 534      38 237        C-13-H3C-13-H2C-13-N
  589305.3990  0.0300 -3.8203 3 1195.1370137 -58516 303682741      672740        C-13-H3C-13-H2C-13-N
  589305.3990  0.0300 -3.8203 3 1195.1370137 -58516 303682742      672741        C-13-H3C-13-H2C-13-N
  589379.8786  0.0057 -3.6982 3  703.0558145  58516 30372 072      71 171        C-13-H3C-13-H2C-13-N
  589379.8930  0.0300 -2.6963 3  703.0558145 -58516 30372 172      71 171        C-13-H3C-13-H2C-13-N
  589379.8930  0.0300 -2.6963 3  703.0558145 -58516 30372 072      71 071        C-13-H3C-13-H2C-13-N
  589379.8941  0.0057 -3.6982 3  703.0558145  58516 30372 172      71 071        C-13-H3C-13-H2C-13-N
  589381.8971  0.0042 -4.8600 3  488.4312 71  58516 303352114      362017        C-13-H3C-13-H2C-13-N
  589381.8971  0.0042 -4.8600 3  488.4312 71  58516 303352115      362016        C-13-H3C-13-H2C-13-N
  589399.6814  0.0106 -5.3445 3 1440.1199191  58516 303951481      951382        C-13-H3C-13-H2C-13-N
  589414.1328  0.0077 -4.4132 3  182.2238 73  58516 30336 333      35 234        C-13-H3C-13-H2C-13-N
  589423.1524  0.0106 -5.3445 3 1440.1191191  58516 303951482      951383        C-13-H3C-13-H2C-13-N
  589588.3110  0.0300 -3.9094 3 1235.1301137 -58516 303682840      672839        C-13-H3C-13-H2C-13-N
  589588.3110  0.0300 -3.9094 3 1235.1301137 -58516 303682841      672840        C-13-H3C-13-H2C-13-N
  589662.0440  0.0300 -2.7603 3  718.5770137 -58516 30368 960      67 959        C-13-H3C-13-H2C-13-N
  589786.4008  0.0037 -4.8918 3  410.6055 61  58516 303302010      311913        C-13-H3C-13-H2C-13-N
  589786.4008  0.0037 -4.8918 3  410.6055 61  58516 303302011      311912        C-13-H3C-13-H2C-13-N
  589830.7030  0.0300 -2.7601 3  718.5975137 -58516 30368 959      67 958        C-13-H3C-13-H2C-13-N
  589866.3391  0.0141 -5.8397 3  821.2679147  58516 30373 965      73 766        C-13-H3C-13-H2C-13-N
  589885.0430  0.0300 -4.0016 3 1276.4799137 -58516 303682939      672938        C-13-H3C-13-H2C-13-N
  589885.0430  0.0300 -4.0016 3 1276.4799137 -58516 303682940      672939        C-13-H3C-13-H2C-13-N
  590019.9960  0.0102 -5.2925 3 1412.7979189  58516 303941480      941381        C-13-H3C-13-H2C-13-N
  590038.3669  0.0102 -5.2924 3 1412.7972189  58516 303941481      941382        C-13-H3C-13-H2C-13-N
  590101.9098  0.0041 -5.0432 3  341.4520 51  58516 3032519 6      2618 9        C-13-H3C-13-H2C-13-N
  590101.9098  0.0041 -5.0432 3  341.4520 51  58516 3032519 7      2618 8        C-13-H3C-13-H2C-13-N
  590123.8440  0.0882 -5.7780 3 1375.5831199  58516 30399 297      99 198        C-13-H3C-13-H2C-13-N
  590123.8818  0.0882 -5.7780 3 1375.5831199  58516 30399 397      99 298        C-13-H3C-13-H2C-13-N
  590157.7120  0.0070 -4.9793 3  582.6380125  58516 30362 755      62 458        C-13-H3C-13-H2C-13-N
  590195.1450  0.0300 -4.0969 3 1319.1763137 -58516 303683038      673037        C-13-H3C-13-H2C-13-N
  590195.1450  0.0300 -4.0969 3 1319.1763137 -58516 303683039      673038        C-13-H3C-13-H2C-13-N
  590320.2247  0.0044 -5.4930 3  280.9748 41  58516 3032018 2      2117 5        C-13-H3C-13-H2C-13-N
  590320.2247  0.0044 -5.4930 3  280.9748 41  58516 3032018 3      2117 4        C-13-H3C-13-H2C-13-N
  590517.8480  0.0500 -4.1953 3 1363.2090137 -58516 303683137      673136        C-13-H3C-13-H2C-13-N
  590517.8480  0.0500 -4.1953 3 1363.2090137 -58516 303683138      673137        C-13-H3C-13-H2C-13-N
  590578.7220  0.0300 -2.7323 3  706.5134137 -58516 30368 861      67 860        C-13-H3C-13-H2C-13-N
  590600.9460  0.0300 -2.7090 3  695.9716137 -58516 30368 762      67 761        C-13-H3C-13-H2C-13-N
  590614.0918  0.0097 -5.2411 3 1385.7608187  58516 303931479      931380        C-13-H3C-13-H2C-13-N
  590628.4204  0.0097 -5.2410 3 1385.7603187  58516 303931480      931381        C-13-H3C-13-H2C-13-N
  590760.2010  0.0300 -3.4372 3  198.8028 71 -58516 30335 729      34 628        C-13-H3C-13-H2C-13-N
  590852.8697  0.0049 -4.2968 3 1408.5676137  58516 303683236      673235        C-13-H3C-13-H2C-13-N
  590852.8697  0.0049 -4.2968 3 1408.5676137  58516 303683237      673236        C-13-H3C-13-H2C-13-N
  590925.5620  0.0300 -3.4370 3  198.7976 71 -58516 30335 728      34 629        C-13-H3C-13-H2C-13-N
  590926.3339  0.0038 -5.3732 3  411.1531103  58516 30351 844      51 645        C-13-H3C-13-H2C-13-N
  590957.6530  0.0300 -3.5966 3  268.3085 85 -58516 30342 637      41 536        C-13-H3C-13-H2C-13-N
  591029.7060  0.0300 -2.7003 3  695.8906139 -58516 30369 565      68 564        C-13-H3C-13-H2C-13-N
  591096.4370  0.0300 -2.6608 3  670.8878135 -58516 30367 661      66 660        C-13-H3C-13-H2C-13-N
  591182.8652  0.0093 -5.1903 3 1359.0087185  58516 303921478      921379        C-13-H3C-13-H2C-13-N
  591194.0011  0.0093 -5.1903 3 1359.0083185  58516 303921479      921380        C-13-H3C-13-H2C-13-N
  591199.7330  0.0300 -4.4014 3 1455.2416137 -58516 303683335      673334        C-13-H3C-13-H2C-13-N
  591199.7330  0.0300 -4.4014 3 1455.2416137 -58516 303683336      673335        C-13-H3C-13-H2C-13-N
  591522.4531  0.1777 -5.8148 3 1249.0268191  58516 30395 194      95 095        C-13-H3C-13-H2C-13-N
  591522.4551  0.1777 -5.8148 3 1249.0268191  58516 30395 294      95 195        C-13-H3C-13-H2C-13-N
  591557.9700  0.0500 -4.5092 3 1503.2204137 -58516 303683434      673433        C-13-H3C-13-H2C-13-N
  591557.9700  0.0500 -4.5092 3 1503.2204137 -58516 303683435      673434        C-13-H3C-13-H2C-13-N
  591643.2449  0.0075 -5.1155 3  182.1494 73  58516 30336 333      35 134        C-13-H3C-13-H2C-13-N
  591727.1651  0.0089 -5.1403 3 1332.5418183  58516 303911477      911378        C-13-H3C-13-H2C-13-N
  591735.7884  0.0089 -5.1403 3 1332.5414183  58516 303911478      911379        C-13-H3C-13-H2C-13-N
  591766.4440  0.0300 -4.2490 3  766.4234145 -58516 30372 567      71 666        C-13-H3C-13-H2C-13-N
  591927.6988  0.0140 -4.6200 3 1552.4931137  58516 303683533      673532        C-13-H3C-13-H2C-13-N
  591927.6988  0.0140 -4.6200 3 1552.4931137  58516 303683534      673533        C-13-H3C-13-H2C-13-N
  591935.3620  0.0300 -2.7307 3  706.7146137 -58516 30368 860      67 859        C-13-H3C-13-H2C-13-N
  592021.1780  0.0300 -3.9651 3  676.1429137 -58516 30368 564      67 463        C-13-H3C-13-H2C-13-N
  592160.1640  0.0300 -3.8936 3  704.3940141 -58516 30370 367      69 466        C-13-H3C-13-H2C-13-N
  592219.9800  0.0300 -2.6980 3  695.6332139 -58516 30369 465      68 464        C-13-H3C-13-H2C-13-N
  592247.7983  0.0084 -5.0909 3 1306.3599181  58516 303901476      901377        C-13-H3C-13-H2C-13-N
  592254.4512  0.0084 -5.0909 3 1306.3597181  58516 303901477      901378        C-13-H3C-13-H2C-13-N
  592308.1086  0.0206 -4.7339 3 1603.0489137  58516 303683632      673631        C-13-H3C-13-H2C-13-N
  592308.1086  0.0206 -4.7339 3 1603.0489137  58516 303683633      673632        C-13-H3C-13-H2C-13-N
  592339.3694  0.0083 -5.0742 3  521.4059119  58516 30359 653      59 356        C-13-H3C-13-H2C-13-N
  592364.3816  0.0048 -5.2330 3  135.6817 63  58516 30331 428      30 229        C-13-H3C-13-H2C-13-N
  592632.4170  0.0300 -2.7089 3  704.3940141 -58516 30370 467      69 466        C-13-H3C-13-H2C-13-N
  592698.0247  0.0054 -5.0146 3  415.3606105  58516 30352 745      52 448        C-13-H3C-13-H2C-13-N
  592699.0908  0.0298 -4.8509 3 1654.8765137  58516 303683731      673730        C-13-H3C-13-H2C-13-N
  592699.0908  0.0298 -4.8509 3 1654.8765137  58516 303683732      673731        C-13-H3C-13-H2C-13-N
  592715.5400  0.0500 -4.0623 3  231.2484 81 -58516 30340 436      39 337        C-13-H3C-13-H2C-13-N
  592725.8141  0.0124 -4.5966 3  883.4605155  58516 30377 671      76 770        C-13-H3C-13-H2C-13-N
  592735.9580  0.0300 -2.7087 3  704.3748141 -58516 30370 367      69 366        C-13-H3C-13-H2C-13-N
  592745.5334  0.0080 -5.0422 3 1280.4634179  58516 303891475      891376        C-13-H3C-13-H2C-13-N
  592750.6470  0.0080 -5.0422 3 1280.4632179  58516 303891476      891377        C-13-H3C-13-H2C-13-N
  592804.0119  0.0030 -5.2920 3  108.1104 55  58516 30327 523      26 324        C-13-H3C-13-H2C-13-N
  593007.9934  0.0036 -5.0346 3  161.1727 67  58516 30333 528      32 329        C-13-H3C-13-H2C-13-N
  593085.5927  0.1791 -5.8654 3 1254.9661139  58516 303692841      702744        C-13-H3C-13-H2C-13-N
  593085.5927  0.1791 -5.8654 3 1254.9661139  58516 303692842      702743        C-13-H3C-13-H2C-13-N
  593100.3806  0.0422 -4.9711 3 1707.9648137  58516 303683830      673829        C-13-H3C-13-H2C-13-N
  593100.3806  0.0422 -4.9711 3 1707.9648137  58516 303683831      673830        C-13-H3C-13-H2C-13-N
  593208.2230  0.0300 -3.8921 3  704.3748141 -58516 30370 467      69 366        C-13-H3C-13-H2C-13-N
  593221.1080  0.0300 -4.9942 3 1254.8521177 -58516 303881474      881375        C-13-H3C-13-H2C-13-N
  593225.0207  0.0076 -4.9942 3 1254.8520177  58516 303881475      881376        C-13-H3C-13-H2C-13-N
  593274.2577  0.0038 -5.8721 3   51.2108 35  58516 30317 611      16 412        C-13-H3C-13-H2C-13-N
  593348.9023  0.0038 -5.8720 3   51.2083 35  58516 30317 612      16 413        C-13-H3C-13-H2C-13-N
  593511.7303  0.0588 -5.0943 3 1762.3026137  58516 303683929      673928        C-13-H3C-13-H2C-13-N
  593511.7303  0.0588 -5.0943 3 1762.3026137  58516 303683930      673929        C-13-H3C-13-H2C-13-N
  593621.2270  0.0300 -4.0164 3  715.6052141 -58516 30370 466      69 565        C-13-H3C-13-H2C-13-N
  593675.2180  0.0072 -4.9469 3 1229.5263175  58516 303871473      871374        C-13-H3C-13-H2C-13-N
  593678.2043  0.0072 -4.9469 3 1229.5262175  58516 303871474      871375        C-13-H3C-13-H2C-13-N
  593829.8404  0.0016 -3.3566 3  162.1367 61  58516 30330 823      29 722        C-13-H3C-13-H2C-13-N
  593830.6093  0.0016 -3.3566 3  162.1367 61  58516 30330 822      29 723        C-13-H3C-13-H2C-13-N
  593907.9758  0.1222 -5.6325 3 1118.0722129  58516 303642737      652640        C-13-H3C-13-H2C-13-N
  593907.9758  0.1222 -5.6325 3 1118.0722129  58516 303642738      652639        C-13-H3C-13-H2C-13-N
  593932.9073  0.0804 -5.2207 3 1817.8783137  58516 303684028      674027        C-13-H3C-13-H2C-13-N
  593932.9073  0.0804 -5.2207 3 1817.8783137  58516 303684029      674028        C-13-H3C-13-H2C-13-N
  593989.4200  0.0300 -2.6786 3  684.4838137 -58516 30368 563      67 562        C-13-H3C-13-H2C-13-N
  594108.5476  0.0069 -4.9003 3 1204.4859173  58516 303861472      861373        C-13-H3C-13-H2C-13-N
  594110.8164  0.0069 -4.9003 3 1204.4858173  58516 303861473      861374        C-13-H3C-13-H2C-13-N
  594138.9550  0.0300 -3.8235 3  711.6290143 -58516 30371 269      70 368        C-13-H3C-13-H2C-13-N
  594159.3320  0.0300 -2.7150 3  711.6290143 -58516 30371 369      70 368        C-13-H3C-13-H2C-13-N
  594164.3560  0.0300 -2.7149 3  711.6281143 -58516 30371 269      70 268        C-13-H3C-13-H2C-13-N
  594184.7400  0.0300 -3.8234 3  711.6281143 -58516 30371 369      70 268        C-13-H3C-13-H2C-13-N
  594363.6923  0.1081 -5.3501 3 1874.6805137  58516 303684127      674126        C-13-H3C-13-H2C-13-N
  594363.6923  0.1081 -5.3501 3 1874.6805137  58516 303684128      674127        C-13-H3C-13-H2C-13-N
  594521.7452  0.0065 -4.8543 3 1179.7311171  58516 303851471      851372        C-13-H3C-13-H2C-13-N
  594523.4618  0.0065 -4.8543 3 1179.7310171  58516 303851472      851373        C-13-H3C-13-H2C-13-N
  594562.3640  0.0037 -5.3639 3  396.2765101  58516 30350 843      50 644        C-13-H3C-13-H2C-13-N
  594637.7208  0.0093 -5.2331 3  415.9238107  58516 30353 548      53 251        C-13-H3C-13-H2C-13-N
  594701.1662  0.0806 -5.4244 3  989.7955119  58516 303592633      602536        C-13-H3C-13-H2C-13-N
  594701.1662  0.0806 -5.4244 3  989.7955119  58516 303592634      602535        C-13-H3C-13-H2C-13-N
  594803.8775  0.1433 -5.4828 3 1932.6974137  58516 303684226      674225        C-13-H3C-13-H2C-13-N
  594803.8775  0.1433 -5.4828 3 1932.6974137  58516 303684227      674226        C-13-H3C-13-H2C-13-N
  594915.4383  0.0062 -4.8090 3 1155.2619169  58516 303841470      841371        C-13-H3C-13-H2C-13-N
  594916.7318  0.0062 -4.8090 3 1155.2618169  58516 303841471      841372        C-13-H3C-13-H2C-13-N
  595253.2664  0.1876 -5.6186 3 1991.9173137  58516 303684325      674324        C-13-H3C-13-H2C-13-N
  595253.2664  0.1876 -5.6186 3 1991.9173137  58516 303684326      674325        C-13-H3C-13-H2C-13-N
  595290.2337  0.0058 -4.7645 3 1131.0783167  58516 303831469      831370        C-13-H3C-13-H2C-13-N
  595291.2043  0.0058 -4.7645 3 1131.0783167  58516 303831470      831371        C-13-H3C-13-H2C-13-N
  595375.8780  0.0443 -5.4453 3 1244.1321183  58516 30391 883      90 982        C-13-H3C-13-H2C-13-N
  595434.5830  0.0300 -3.3034 3  134.2873 51 -58516 30325 917      24 816        C-13-H3C-13-H2C-13-N
  595434.5830  0.0300 -3.3034 3  134.2873 51 -58516 30325 916      24 817        C-13-H3C-13-H2C-13-N
  595456.4715  0.0508 -5.2431 3  870.1468109  58516 303542529      552432        C-13-H3C-13-H2C-13-N
  595456.4715  0.0508 -5.2431 3  870.1468109  58516 303542530      552431        C-13-H3C-13-H2C-13-N
  595646.7185  0.0055 -4.7205 3 1107.1806165  58516 303821468      821369        C-13-H3C-13-H2C-13-N
  595647.4436  0.0055 -4.7205 3 1107.1806165  58516 303821469      821370        C-13-H3C-13-H2C-13-N
  595711.6721  0.2427 -5.7576 3 2052.3283137  58516 303684424      674423        C-13-H3C-13-H2C-13-N
  595711.6721  0.2427 -5.7576 3 2052.3283137  58516 303684425      674424        C-13-H3C-13-H2C-13-N
  595784.6459  0.0032 -3.7682 3  717.7009145  58516 30372 171      71 270        C-13-H3C-13-H2C-13-N
  595785.2120  0.0300 -2.7185 3  717.7009145 -58516 30372 271      71 270        C-13-H3C-13-H2C-13-N
  595785.2120  0.0300 -2.7185 3  717.7009145 -58516 30372 171      71 170        C-13-H3C-13-H2C-13-N
  595785.7705  0.0032 -3.7682 3  717.7009145  58516 30372 271      71 170        C-13-H3C-13-H2C-13-N
  595985.4615  0.0053 -4.6773 3 1083.5687163  58516 303811467      811368        C-13-H3C-13-H2C-13-N
  595986.0009  0.0053 -4.6773 3 1083.5687163  58516 303811468      811369        C-13-H3C-13-H2C-13-N
  596016.8520  0.0300 -3.0706 3  867.0898139 -58516 303691653      681652        C-13-H3C-13-H2C-13-N
  596016.8520  0.0300 -3.0706 3  867.0898139 -58516 303691654      681653        C-13-H3C-13-H2C-13-N
  596034.9750  0.0300 -3.0197 3  844.1219139 -58516 303691555      681554        C-13-H3C-13-H2C-13-N
  596034.9750  0.0300 -3.0197 3  844.1219139 -58516 303691554      681553        C-13-H3C-13-H2C-13-N
  596046.6320  0.0300 -3.1246 3  891.5313139 -58516 303691752      681751        C-13-H3C-13-H2C-13-N
  596046.6320  0.0300 -3.1246 3  891.5313139 -58516 303691753      681752        C-13-H3C-13-H2C-13-N
  596112.5020  0.0300 -2.9721 3  822.6403139 -58516 303691456      681455        C-13-H3C-13-H2C-13-N
  596112.5020  0.0300 -2.9721 3  822.6403139 -58516 303691455      681454        C-13-H3C-13-H2C-13-N
  596116.1150  0.0300 -3.1819 3  917.4354139 -58516 303691851      681850        C-13-H3C-13-H2C-13-N
  596116.1150  0.0300 -3.1819 3  917.4354139 -58516 303691852      681851        C-13-H3C-13-H2C-13-N
  596120.1538  0.0074 -5.0011 3  600.8141127  58516 30363 756      63 459        C-13-H3C-13-H2C-13-N
  596164.9550  0.0303 -5.0914 3  759.1363 99  58516 303492425      502328        C-13-H3C-13-H2C-13-N
  596164.9550  0.0303 -5.0914 3  759.1363 99  58516 303492426      502327        C-13-H3C-13-H2C-13-N
  596178.9172  0.3106 -5.8998 3 2113.9184137  58516 303684523      674522        C-13-H3C-13-H2C-13-N
  596178.9172  0.3106 -5.8998 3 2113.9184137  58516 303684524      674523        C-13-H3C-13-H2C-13-N
  596219.2740  0.0300 -3.2424 3  944.7920139 -58516 303691950      681949        C-13-H3C-13-H2C-13-N
  596219.2740  0.0300 -3.2424 3  944.7920139 -58516 303691951      681950        C-13-H3C-13-H2C-13-N
  596266.0040  0.0300 -2.9277 3  802.6595139 -58516 303691357      681356        C-13-H3C-13-H2C-13-N
  596266.0040  0.0300 -2.9277 3  802.6595139 -58516 303691356      681355        C-13-H3C-13-H2C-13-N
  596307.0151  0.0050 -4.6348 3 1060.2428161  58516 303801466      801367        C-13-H3C-13-H2C-13-N
  596307.4146  0.0050 -4.6348 3 1060.2427161  58516 303801467      801368        C-13-H3C-13-H2C-13-N
  596351.6000  0.0300 -3.3060 3  973.5911139 -58516 303692049      682048        C-13-H3C-13-H2C-13-N
  596351.6000  0.0300 -3.3060 3  973.5911139 -58516 303692050      682049        C-13-H3C-13-H2C-13-N
  596393.3583  0.0903 -5.8257 3 1402.9556201  58516 303A0 298      A0 199        C-13-H3C-13-H2C-13-N
  596393.3885  0.0903 -5.8257 3 1402.9556201  58516 303A0 398      A0 299        C-13-H3C-13-H2C-13-N
  596396.9547  0.0017 -2.7141 3  705.9166139  58516 30369 664      68 663        C-13-H3C-13-H2C-13-N
  596498.8810  0.0300 -3.2686 3  115.1682 41 -58516 303201010      19 911        C-13-H3C-13-H2C-13-N
  596498.8810  0.0300 -3.2686 3  115.1682 41 -58516 303201011      19 910        C-13-H3C-13-H2C-13-N
  596509.6270  0.0300 -3.3729 3 1003.8236139 -58516 303692148      682147        C-13-H3C-13-H2C-13-N
  596509.6270  0.0300 -3.3729 3 1003.8236139 -58516 303692149      682148        C-13-H3C-13-H2C-13-N
  596520.4590  0.0300 -2.8865 3  784.1984139 -58516 303691258      681257        C-13-H3C-13-H2C-13-N
  596520.4590  0.0300 -2.8865 3  784.1984139 -58516 303691257      681256        C-13-H3C-13-H2C-13-N
  596611.9159  0.0047 -4.5930 3 1037.2028159  58516 303791465      791366        C-13-H3C-13-H2C-13-N
  596612.2105  0.0047 -4.5930 3 1037.2028159  58516 303791466      791367        C-13-H3C-13-H2C-13-N
  596633.0644  0.0022 -3.6113 3  280.5846 87  58516 30343 638      42 537        C-13-H3C-13-H2C-13-N
  596690.6770  0.0300 -3.4429 3 1035.4799139 -58516 303692247      682246        C-13-H3C-13-H2C-13-N
  596690.6770  0.0300 -3.4429 3 1035.4799139 -58516 303692248      682247        C-13-H3C-13-H2C-13-N
  596706.1440  0.0300 -3.5732 3  255.9871 83 -58516 30341 635      40 536        C-13-H3C-13-H2C-13-N
  596746.4640  0.0300 -2.7025 3  697.2545137 -58516 30368 761      67 760        C-13-H3C-13-H2C-13-N
  596817.5191  0.0167 -4.9734 3  656.7728 89  58516 303442321      452224        C-13-H3C-13-H2C-13-N
  596817.5191  0.0167 -4.9734 3  656.7728 89  58516 303442322      452223        C-13-H3C-13-H2C-13-N
  596892.6110  0.0300 -3.5161 3 1068.5510139 -58516 303692346      682345        C-13-H3C-13-H2C-13-N
  596892.6110  0.0300 -3.5161 3 1068.5510139 -58516 303692347      682346        C-13-H3C-13-H2C-13-N
  596900.6861  0.0045 -4.5518 3 1014.4489157  58516 303781464      781365        C-13-H3C-13-H2C-13-N
  596900.9022  0.0045 -4.5518 3 1014.4489157  58516 303781465      781366        C-13-H3C-13-H2C-13-N
  596914.9080  0.0300 -2.8486 3  767.2821139 -58516 303691159      681158        C-13-H3C-13-H2C-13-N
  596916.3040  0.0300 -2.8486 3  767.2823139 -58516 303691158      681157        C-13-H3C-13-H2C-13-N
  597000.8617  0.0035 -4.9956 3  170.9138 69  58516 30334 529      33 330        C-13-H3C-13-H2C-13-N
  597113.6700  0.0300 -3.5924 3 1103.0273139 -58516 303692445      682444        C-13-H3C-13-H2C-13-N
  597113.6700  0.0300 -3.5924 3 1103.0273139 -58516 303692446      682445        C-13-H3C-13-H2C-13-N
  597173.8339  0.0043 -4.5114 3  991.9811155  58516 303771463      771364        C-13-H3C-13-H2C-13-N
  597173.9918  0.0043 -4.5114 3  991.9811155  58516 303771464      771365        C-13-H3C-13-H2C-13-N
  597295.5260  0.0300 -3.2431 3  104.7470 31 -58516 3031511 4      1410 5        C-13-H3C-13-H2C-13-N
  597295.5260  0.0300 -3.2431 3  104.7470 31 -58516 3031511 5      1410 4        C-13-H3C-13-H2C-13-N
  597352.5040  0.0300 -3.6719 3 1138.8997139 -58516 303692544      682543        C-13-H3C-13-H2C-13-N
  597352.5040  0.0300 -3.6719 3 1138.8997139 -58516 303692545      682544        C-13-H3C-13-H2C-13-N
  597405.0003  0.0083 -4.8961 3  563.0642 79  58516 303392217      402120        C-13-H3C-13-H2C-13-N
  597405.0003  0.0083 -4.8961 3  563.0642 79  58516 303392218      402119        C-13-H3C-13-H2C-13-N
  597431.8549  0.0041 -4.4716 3  969.7996153  58516 303761462      761363        C-13-H3C-13-H2C-13-N
  597431.9696  0.0041 -4.4716 3  969.7996153  58516 303761463      761364        C-13-H3C-13-H2C-13-N
  597454.0610  0.0059 -3.7213 3  722.7154147  58516 30373 073      72 172        C-13-H3C-13-H2C-13-N
  597454.0760  0.0300 -2.7198 3  722.7154147 -58516 30373 173      72 172        C-13-H3C-13-H2C-13-N
  597454.0760  0.0300 -2.7198 3  722.7154147 -58516 30373 073      72 072        C-13-H3C-13-H2C-13-N
  597454.0731  0.0059 -3.7213 3  722.7154147  58516 30373 173      72 072        C-13-H3C-13-H2C-13-N
  597510.1960  0.0500 -2.8138 3  751.9473139 -58516 303691060      681059        C-13-H3C-13-H2C-13-N
  597529.3530  0.0500 -2.8138 3  751.9494139 -58516 303691059      681058        C-13-H3C-13-H2C-13-N
  597607.9590  0.0300 -3.7545 3 1176.1585139 -58516 303692643      682642        C-13-H3C-13-H2C-13-N
  597607.9590  0.0300 -3.7545 3 1176.1585139 -58516 303692644      682643        C-13-H3C-13-H2C-13-N
  597675.2324  0.0039 -4.4325 3  947.9044151  58516 303751461      751362        C-13-H3C-13-H2C-13-N
  597675.3153  0.0039 -4.4325 3  947.9044151  58516 303751462      751363        C-13-H3C-13-H2C-13-N
  597815.9733  0.1840 -5.8599 3 1275.1233193  58516 30396 195      96 096        C-13-H3C-13-H2C-13-N
  597815.9750  0.1840 -5.8599 3 1275.1233193  58516 30396 295      96 196        C-13-H3C-13-H2C-13-N
  597825.7422  0.0054 -5.0387 3  400.1057103  58516 30351 744      51 447        C-13-H3C-13-H2C-13-N
  597831.9383  0.0035 -5.3561 3  381.7027 99  58516 30349 842      49 643        C-13-H3C-13-H2C-13-N
  597879.0430  0.0500 -3.8403 3 1214.7941139 -58516 303692742      682741        C-13-H3C-13-H2C-13-N
  597879.0430  0.0500 -3.8403 3 1214.7941139 -58516 303692743      682742        C-13-H3C-13-H2C-13-N
  597904.4380  0.0038 -4.3942 3  926.2955149  58516 303741460      741361        C-13-H3C-13-H2C-13-N
  597904.4977  0.0038 -4.3942 3  926.2955149  58516 303741461      741362        C-13-H3C-13-H2C-13-N
  597918.2802  0.0043 -4.8718 3  478.0175 69  58516 303342113      352016        C-13-H3C-13-H2C-13-N
  597918.2802  0.0043 -4.8718 3  478.0175 69  58516 303342114      352015        C-13-H3C-13-H2C-13-N
  598119.9560  0.0300 -4.3565 3  904.9730147 -58516 303731459      731360        C-13-H3C-13-H2C-13-N
  598119.9560  0.0300 -4.3565 3  904.9730147 -58516 303731460      731361        C-13-H3C-13-H2C-13-N
  598164.9630  0.0300 -3.9292 3 1254.7967139 -58516 303692841      682840        C-13-H3C-13-H2C-13-N
  598164.9630  0.0300 -3.9292 3 1254.7967139 -58516 303692842      682841        C-13-H3C-13-H2C-13-N
  598194.7365  0.0043 -4.6136 3  135.4872 63  58516 30331 428      30 129        C-13-H3C-13-H2C-13-N
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  598322.1810  0.0300 -4.3196 3  883.9370145 -58516 303721459      721360        C-13-H3C-13-H2C-13-N
  598348.4160  0.0038 -4.9258 3  401.6385 59  58516 3032920 9      301912        C-13-H3C-13-H2C-13-N
  598348.4160  0.0038 -4.9258 3  401.6385 59  58516 303292010      301911        C-13-H3C-13-H2C-13-N
  598362.5520  0.0500 -2.7823 3  738.2460139 -58516 30369 961      68 960        C-13-H3C-13-H2C-13-N
  598464.9050  0.0500 -4.0212 3 1296.1564139 -58516 303692940      682939        C-13-H3C-13-H2C-13-N
  598464.9050  0.0500 -4.0212 3 1296.1564139 -58516 303692941      682940        C-13-H3C-13-H2C-13-N
  598511.5820  0.0300 -4.2833 3  863.1877143 -58516 303711457      711358        C-13-H3C-13-H2C-13-N
  598511.5820  0.0300 -4.2833 3  863.1876143 -58516 303711458      711359        C-13-H3C-13-H2C-13-N
  598572.5850  0.0300 -2.7821 3  738.2722139 -58516 30369 960      68 959        C-13-H3C-13-H2C-13-N
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  598686.7974  0.0042 -5.1231 3  333.9319 49  58516 3032419 6      2518 7        C-13-H3C-13-H2C-13-N
  598688.6210  0.0300 -4.2478 3  842.7249141 -58516 303701456      701357        C-13-H3C-13-H2C-13-N
  598688.6210  0.0300 -4.2478 3  842.7249141 -58516 303701457      701358        C-13-H3C-13-H2C-13-N
  598747.3440  0.0300 -3.9812 3  695.6332139 -58516 30369 565      68 464        C-13-H3C-13-H2C-13-N
  598778.5280  0.0300 -4.1163 3 1338.8631139 -58516 303693039      683038        C-13-H3C-13-H2C-13-N
  598778.5280  0.0300 -4.1163 3 1338.8631139 -58516 303693040      683039        C-13-H3C-13-H2C-13-N
  598853.6810  0.0300 -4.2130 3  822.5488139 -58516 303691455      691356        C-13-H3C-13-H2C-13-N
  598853.6810  0.0300 -4.2130 3  822.5488139 -58516 303691456      691357        C-13-H3C-13-H2C-13-N
  598925.3321  0.0045 -5.7479 3  274.9016 39  58516 3031918 1      2017 4        C-13-H3C-13-H2C-13-N
  598925.3321  0.0045 -5.7479 3  274.9016 39  58516 3031918 2      2017 3        C-13-H3C-13-H2C-13-N
  598994.1457  0.0028 -4.3898 3  155.9207 29  58516 3031414 0      1413 1        C-13-H3C-13-H2C-13-N
  598994.1457  0.0028 -4.3898 3  155.9207 29  58516 3031414 1      1413 2        C-13-H3C-13-H2C-13-N
  599007.1780  0.0300 -4.1789 3  802.6595137 -58516 303681454      681355        C-13-H3C-13-H2C-13-N
  599007.1780  0.0300 -4.1789 3  802.6595137 -58516 303681455      681356        C-13-H3C-13-H2C-13-N
  599027.2640  0.0300 -4.1113 3  160.2544 31 -58516 3031514 1      1513 2        C-13-H3C-13-H2C-13-N
  599027.2640  0.0300 -4.1113 3  160.2544 31 -58516 3031514 2      1513 3        C-13-H3C-13-H2C-13-N
  599046.5650  0.0300 -3.4408 3  208.9375 73 -58516 30336 730      35 629        C-13-H3C-13-H2C-13-N
  599062.0710  0.0300 -3.9571 3  164.8769 33 -58516 3031614 2      1613 3        C-13-H3C-13-H2C-13-N
  599062.0710  0.0300 -3.9571 3  164.8769 33 -58516 3031614 3      1613 4        C-13-H3C-13-H2C-13-N
  599098.5840  0.0300 -3.8535 3  169.7883 35 -58516 3031714 3      1713 4        C-13-H3C-13-H2C-13-N
  599098.5840  0.0300 -3.8535 3  169.7883 35 -58516 3031714 4      1713 5        C-13-H3C-13-H2C-13-N
  599105.0392  0.0042 -4.2145 3 1382.9065139  58516 303693138      683137        C-13-H3C-13-H2C-13-N
  599105.0392  0.0042 -4.2145 3 1382.9065139  58516 303693139      683138        C-13-H3C-13-H2C-13-N
  599128.8800  0.0300 -2.7235 3  715.6052141 -58516 30370 566      69 565        C-13-H3C-13-H2C-13-N
  599136.4220  0.0300 -3.7775 3  174.9885 37 -58516 3031814 4      1813 5        C-13-H3C-13-H2C-13-N
  599136.4220  0.0300 -3.7775 3  174.9885 37 -58516 3031814 5      1813 6        C-13-H3C-13-H2C-13-N
  599137.5285  0.0129 -5.8082 3  799.8389145  58516 30372 964      72 765        C-13-H3C-13-H2C-13-N
  599141.7700  0.0300 -2.7314 3  715.6719139 -58516 30369 763      68 762        C-13-H3C-13-H2C-13-N
  599149.5490  0.0300 -4.1455 3  783.0571135 -58516 303671453      671354        C-13-H3C-13-H2C-13-N
  599149.5490  0.0300 -4.1455 3  783.0571135 -58516 303671454      671355        C-13-H3C-13-H2C-13-N
  599175.7150  0.0300 -3.7190 3  180.4775 39 -58516 3031914 5      1913 6        C-13-H3C-13-H2C-13-N
  599175.7150  0.0300 -3.7190 3  180.4775 39 -58516 3031914 6      1913 7        C-13-H3C-13-H2C-13-N
  599216.2990  0.0500 -3.6726 3  186.2552 41 -58516 3032014 6      2013 7        C-13-H3C-13-H2C-13-N
  599216.2990  0.0500 -3.6726 3  186.2552 41 -58516 3032014 7      2013 8        C-13-H3C-13-H2C-13-N
  599257.9880  0.0500 -3.6350 3  192.3218 43 -58516 3032114 7      2113 8        C-13-H3C-13-H2C-13-N
  599257.9880  0.0500 -3.6350 3  192.3218 43 -58516 3032114 8      2113 9        C-13-H3C-13-H2C-13-N
  599270.0830  0.0300 -2.7544 3  726.2130139 -58516 30369 862      68 861        C-13-H3C-13-H2C-13-N
  599278.5110  0.0500 -3.4405 3  208.9302 73 -58516 30336 729      35 630        C-13-H3C-13-H2C-13-N
  599281.1390  0.0500 -4.1128 3  763.7415133 -58516 303661452      661353        C-13-H3C-13-H2C-13-N
  599281.1390  0.0500 -4.1128 3  763.7415133 -58516 303661453      661354        C-13-H3C-13-H2C-13-N
  599300.7770  0.0500 -3.6043 3  198.6771 45 -58516 3032214 8      2213 9        C-13-H3C-13-H2C-13-N
  599300.7770  0.0500 -3.6043 3  198.6771 45 -58516 3032214 9      221310        C-13-H3C-13-H2C-13-N
  599344.3990  0.0500 -3.5790 3  205.3211 47 -58516 3032314 9      231310        C-13-H3C-13-H2C-13-N
  599344.3990  0.0500 -3.5790 3  205.3211 47 -58516 303231410      231311        C-13-H3C-13-H2C-13-N
  599357.5368  0.0087 -5.7251 3  638.3716131  58516 30365 758      65 561        C-13-H3C-13-H2C-13-N
  599388.7680  0.0500 -3.5583 3  212.2538 49 -58516 303241410      241311        C-13-H3C-13-H2C-13-N
  599388.7680  0.0500 -3.5583 3  212.2538 49 -58516 303241411      241312        C-13-H3C-13-H2C-13-N
  599402.3940  0.0300 -4.0809 3  744.7129131 -58516 303651451      651352        C-13-H3C-13-H2C-13-N
  599402.3940  0.0300 -4.0809 3  744.7129131 -58516 303651452      651353        C-13-H3C-13-H2C-13-N
  599433.7380  0.0300 -3.5413 3  219.4753 51 -58516 303251411      251312        C-13-H3C-13-H2C-13-N
  599433.7380  0.0300 -3.5413 3  219.4753 51 -58516 303251412      251313        C-13-H3C-13-H2C-13-N
  599444.0720  0.0300 -4.3157 3 1428.2763139 -58516 303693237      683236        C-13-H3C-13-H2C-13-N
  599444.0720  0.0300 -4.3157 3 1428.2763139 -58516 303693238      683237        C-13-H3C-13-H2C-13-N
  599479.1860  0.0300 -3.5275 3  226.9854 53 -58516 303261412      261313        C-13-H3C-13-H2C-13-N
  599479.1860  0.0300 -3.5275 3  226.9854 53 -58516 303261413      261314        C-13-H3C-13-H2C-13-N
  599513.6360  0.0500 -4.0497 3  725.9713129 -58516 303641450      641351        C-13-H3C-13-H2C-13-N
  599513.6360  0.0500 -4.0497 3  725.9713129 -58516 303641451      641352        C-13-H3C-13-H2C-13-N
  599524.9360  0.0500 -3.5165 3  234.7841 55 -58516 303271413      271314        C-13-H3C-13-H2C-13-N
  599524.9360  0.0500 -3.5165 3  234.7841 55 -58516 303271414      271315        C-13-H3C-13-H2C-13-N
  599570.8150  0.0300 -3.5081 3  242.8715 57 -58516 303281414      281315        C-13-H3C-13-H2C-13-N
  599570.8150  0.0300 -3.5081 3  242.8715 57 -58516 303281415      281316        C-13-H3C-13-H2C-13-N
  599592.1836  0.0049 -5.4607 3  539.4104119  58516 30359 851      59 654        C-13-H3C-13-H2C-13-N
  599615.2685  0.0026 -4.0192 3  707.5168127  58516 303631449      631350        C-13-H3C-13-H2C-13-N
  599615.2696  0.0026 -4.0192 3  707.5168127  58516 303631450      631351        C-13-H3C-13-H2C-13-N
  599616.6500  0.0300 -3.5018 3  251.2475 59 -58516 303291415      291316        C-13-H3C-13-H2C-13-N
  599616.6500  0.0300 -3.5018 3  251.2475 59 -58516 303291416      291317        C-13-H3C-13-H2C-13-N
  599647.4624  0.0047 -5.4435 3  522.3186117  58516 30358 850      58 653        C-13-H3C-13-H2C-13-N
  599662.3010  0.0300 -3.4976 3  259.9121 61 -58516 303301416      301317        C-13-H3C-13-H2C-13-N
  599662.3010  0.0300 -3.4976 3  259.9121 61 -58516 303301417      301318        C-13-H3C-13-H2C-13-N
  599707.6050  0.0300 -3.4953 3  268.8652 63 -58516 303311417      311318        C-13-H3C-13-H2C-13-N
  599707.6050  0.0300 -3.4953 3  268.8652 63 -58516 303311418      311319        C-13-H3C-13-H2C-13-N
  599707.6050  0.0300 -3.9895 3  689.3495125 -58516 303621448      621349        C-13-H3C-13-H2C-13-N
  599707.6050  0.0300 -3.9895 3  689.3495125 -58516 303621449      621350        C-13-H3C-13-H2C-13-N
  599752.2580  0.0300 -3.4946 3  278.1069 65 -58516 303321418      321319        C-13-H3C-13-H2C-13-N
  599752.2580  0.0300 -3.4946 3  278.1069 65 -58516 303321419      321320        C-13-H3C-13-H2C-13-N
  599763.3330  0.0500 -2.6830 3  690.6047137 -58516 30368 662      67 661        C-13-H3C-13-H2C-13-N
  599791.2010  0.0300 -3.9605 3  671.4693123 -58516 303611447      611348        C-13-H3C-13-H2C-13-N
  599791.2010  0.0300 -3.9605 3  671.4693123 -58516 303611448      611349        C-13-H3C-13-H2C-13-N
  599795.1891  0.0072 -4.4201 3 1474.9619139  58516 303693336      683335        C-13-H3C-13-H2C-13-N
  599795.1891  0.0072 -4.4201 3 1474.9619139  58516 303693337      683336        C-13-H3C-13-H2C-13-N
  599796.2300  0.0300 -3.4956 3  287.6371 67 -58516 303331419      331320        C-13-H3C-13-H2C-13-N
  599796.2300  0.0300 -3.4956 3  287.6371 67 -58516 303331420      331321        C-13-H3C-13-H2C-13-N
  599801.9434  0.0052 -5.4792 3  556.7863121  58516 30360 852      60 655        C-13-H3C-13-H2C-13-N
  599839.2330  0.0300 -3.4980 3  297.4557 69 -58516 303341420      341321        C-13-H3C-13-H2C-13-N
  599839.2330  0.0300 -3.4980 3  297.4557 69 -58516 303341421      341322        C-13-H3C-13-H2C-13-N
  599866.2020  0.0300 -3.9323 3  653.8764121 -58516 303601446      601347        C-13-H3C-13-H2C-13-N
  599866.2020  0.0300 -3.9323 3  653.8764121 -58516 303601447      601348        C-13-H3C-13-H2C-13-N
  599881.1030  0.0500 -3.5018 3  307.5628 71 -58516 303351421      351322        C-13-H3C-13-H2C-13-N
  599881.1030  0.0500 -3.5018 3  307.5628 71 -58516 303351422      351323        C-13-H3C-13-H2C-13-N
  599921.6260  0.0500 -3.5070 3  317.9583 73 -58516 303361422      361323        C-13-H3C-13-H2C-13-N
  599921.6260  0.0500 -3.5070 3  317.9583 73 -58516 303361423      361324        C-13-H3C-13-H2C-13-N
  599933.0250  0.0500 -3.9048 3  636.5708119 -58516 303591445      591346        C-13-H3C-13-H2C-13-N
  599933.0250  0.0500 -3.9048 3  636.5708119 -58516 303591446      591347        C-13-H3C-13-H2C-13-N
  599933.0637  0.0045 -5.4277 3  505.5117115  58516 30357 849      57 652        C-13-H3C-13-H2C-13-N
  599960.5980  0.0300 -3.5134 3  328.6421 75 -58516 303371423      371324        C-13-H3C-13-H2C-13-N
  599960.5980  0.0300 -3.5134 3  328.6421 75 -58516 303371424      371325        C-13-H3C-13-H2C-13-N
  599991.9770  0.0300 -3.8781 3  619.5526117 -58516 303581444      581345        C-13-H3C-13-H2C-13-N
  599991.9770  0.0300 -3.8781 3  619.5526117 -58516 303581445      581346        C-13-H3C-13-H2C-13-N
  599997.7800  0.0300 -3.5210 3  339.6143 77 -58516 303381424      381325        C-13-H3C-13-H2C-13-N
  599997.7800  0.0300 -3.5210 3  339.6143 77 -58516 303381425      381326        C-13-H3C-13-H2C-13-N
  600032.9590  0.0300 -3.5298 3  350.8749 79 -58516 303391425      391326        C-13-H3C-13-H2C-13-N
  600032.9590  0.0300 -3.5298 3  350.8749 79 -58516 303391426      391327        C-13-H3C-13-H2C-13-N
  600043.4700  0.0300 -3.8522 3  602.8218115 -58516 303571443      571344        C-13-H3C-13-H2C-13-N
  600043.4700  0.0300 -3.8522 3  602.8218115 -58516 303571444      571345        C-13-H3C-13-H2C-13-N
  600065.9240  0.0300 -3.5397 3  362.4237 81 -58516 303401426      401327        C-13-H3C-13-H2C-13-N
  600065.9240  0.0300 -3.5397 3  362.4237 81 -58516 303401427      401328        C-13-H3C-13-H2C-13-N
  600087.7640  0.0300 -3.8271 3  586.3785113 -58516 303561442      561343        C-13-H3C-13-H2C-13-N
  600087.7640  0.0300 -3.8271 3  586.3785113 -58516 303561443      561344        C-13-H3C-13-H2C-13-N
  600096.4720  0.0300 -3.5507 3  374.2607 83 -58516 303411427      411328        C-13-H3C-13-H2C-13-N
  600096.4720  0.0300 -3.5507 3  374.2607 83 -58516 303411428      411329        C-13-H3C-13-H2C-13-N
  600105.8758  0.0067 -5.4802 3  224.3700 79  58516 30339 535      39 238        C-13-H3C-13-H2C-13-N
  600120.0687  0.0086 -5.5962 3  129.8518 63  58516 30331 329      30 130        C-13-H3C-13-H2C-13-N
  600124.3172  0.0019 -3.5627 3  386.3860 85  58516 303421428      421329        C-13-H3C-13-H2C-13-N
  600124.3172  0.0019 -3.5627 3  386.3860 85  58516 303421429      421330        C-13-H3C-13-H2C-13-N
  600125.1885  0.0022 -3.8027 3  570.2228111  58516 303551441      551342        C-13-H3C-13-H2C-13-N
  600125.1886  0.0022 -3.8027 3  570.2228111  58516 303551442      551343        C-13-H3C-13-H2C-13-N
  600148.6130  0.0500 -2.7216 3  715.3875141 -58516 30370 466      69 465        C-13-H3C-13-H2C-13-N
  600149.2357  0.0019 -3.5757 3  398.7994 87  58516 303431429      431330        C-13-H3C-13-H2C-13-N
  600149.2357  0.0019 -3.5757 3  398.7994 87  58516 303431430      431331        C-13-H3C-13-H2C-13-N
  600156.0853  0.0021 -3.7791 3  554.3546109  58516 303541440      541341        C-13-H3C-13-H2C-13-N
  600156.0853  0.0021 -3.7791 3  554.3546109  58516 303541441      541342        C-13-H3C-13-H2C-13-N
  600158.0143  0.0103 -4.5275 3 1522.9527139  58516 303693435      683434        C-13-H3C-13-H2C-13-N
  600158.0143  0.0103 -4.5275 3 1522.9527139  58516 303693436      683435        C-13-H3C-13-H2C-13-N
  600171.0130  0.0300 -3.5897 3  411.5010 89 -58516 303441430      441331        C-13-H3C-13-H2C-13-N
  600171.0130  0.0300 -3.5897 3  411.5010 89 -58516 303441431      441332        C-13-H3C-13-H2C-13-N
  600180.6940  0.0300 -3.7564 3  538.7741107 -58516 303531439      531340        C-13-H3C-13-H2C-13-N
  600180.6940  0.0300 -3.7564 3  538.7741107 -58516 303531440      531341        C-13-H3C-13-H2C-13-N
  600189.3090  0.0500 -3.6046 3  424.4906 91 -58516 303451431      451332        C-13-H3C-13-H2C-13-N
  600189.3090  0.0500 -3.6046 3  424.4906 91 -58516 303451432      451333        C-13-H3C-13-H2C-13-N
  600199.4970  0.0300 -3.7344 3  523.4812105 -58516 303521438      521339        C-13-H3C-13-H2C-13-N
  600199.4970  0.0300 -3.7344 3  523.4812105 -58516 303521439      521340        C-13-H3C-13-H2C-13-N
  600203.9440  0.0300 -3.6205 3  437.7683 93 -58516 303461432      461333        C-13-H3C-13-H2C-13-N
  600203.9440  0.0300 -3.6205 3  437.7683 93 -58516 303461433      461334        C-13-H3C-13-H2C-13-N
  600212.6180  0.0300 -3.7133 3  508.4761103 -58516 303511437      511338        C-13-H3C-13-H2C-13-N
  600212.6180  0.0300 -3.7133 3  508.4761103 -58516 303511438      511339        C-13-H3C-13-H2C-13-N
  600214.6620  0.0300 -3.6373 3  451.3340 95 -58516 303471433      471334        C-13-H3C-13-H2C-13-N
  600214.6620  0.0300 -3.6373 3  451.3340 95 -58516 303471434      471335        C-13-H3C-13-H2C-13-N
  600220.4072  0.0020 -3.6930 3  493.7588101  58516 303501436      501337        C-13-H3C-13-H2C-13-N
  600220.4073  0.0020 -3.6930 3  493.7588101  58516 303501437      501338        C-13-H3C-13-H2C-13-N
  600221.1434  0.0020 -3.6550 3  465.1877 97  58516 303481434      481335        C-13-H3C-13-H2C-13-N
  600221.1434  0.0020 -3.6550 3  465.1877 97  58516 303481435      481336        C-13-H3C-13-H2C-13-N
  600223.1530  0.0300 -3.6736 3  479.3293 99 -58516 303491435      491336        C-13-H3C-13-H2C-13-N
  600223.1530  0.0300 -3.6736 3  479.3293 99 -58516 303491436      491337        C-13-H3C-13-H2C-13-N
  600307.8310  0.0300 -3.9130 3  724.1621143 -58516 30371 368      70 467        C-13-H3C-13-H2C-13-N
  600313.5302  0.0055 -5.4991 3  574.4454123  58516 30361 853      61 656        C-13-H3C-13-H2C-13-N
  600364.0842  0.0085 -4.8966 3  129.8436 63  58516 30331 329      30 030        C-13-H3C-13-H2C-13-N
  600416.3613  0.0043 -5.4131 3  488.9904113  58516 30356 848      56 651        C-13-H3C-13-H2C-13-N
  600495.4520  0.0300 -3.7862 3  273.1352 87 -58516 30343 538      42 439        C-13-H3C-13-H2C-13-N
  600532.1998  0.0150 -4.6381 3 1572.2377139  58516 303693534      683533        C-13-H3C-13-H2C-13-N
  600532.1998  0.0150 -4.6381 3 1572.2377139  58516 303693535      683534        C-13-H3C-13-H2C-13-N
  600694.7630  0.0500 -2.7324 3  724.1621143 -58516 30371 468      70 467        C-13-H3C-13-H2C-13-N
  600765.6336  0.0035 -5.3499 3  367.4308 97  58516 30348 841      48 642        C-13-H3C-13-H2C-13-N
  600780.0940  0.0300 -2.7323 3  724.1463143 -58516 30371 368      70 367        C-13-H3C-13-H2C-13-N
  600884.6930  0.0300 -2.7526 3  726.4595139 -58516 30369 861      68 860        C-13-H3C-13-H2C-13-N
  600917.4277  0.0219 -4.7517 3 1622.8061139  58516 303693633      683632        C-13-H3C-13-H2C-13-N
  600917.4277  0.0219 -4.7517 3 1622.8061139  58516 303693634      683633        C-13-H3C-13-H2C-13-N
  601066.8336  0.0041 -5.3998 3  472.7556111  58516 30355 847      55 650        C-13-H3C-13-H2C-13-N
  601113.1465  0.0033 -4.9575 3  180.9475 71  58516 30335 530      34 331        C-13-H3C-13-H2C-13-N
  601165.7874  0.0059 -5.5204 3  592.3869125  58516 30362 854      62 657        C-13-H3C-13-H2C-13-N
  601167.0290  0.0300 -3.9117 3  724.1463143 -58516 30371 468      70 367        C-13-H3C-13-H2C-13-N
  601313.4047  0.0313 -4.8683 3 1674.6468139  58516 303693732      683731        C-13-H3C-13-H2C-13-N
  601313.4047  0.0313 -4.8683 3 1674.6468139  58516 303693733      683732        C-13-H3C-13-H2C-13-N
  601369.3378  0.1791 -5.8258 3 1234.7372137  58516 303682840      692743        C-13-H3C-13-H2C-13-N
  601369.3378  0.1791 -5.8258 3 1234.7372137  58516 303682841      692742        C-13-H3C-13-H2C-13-N
  601684.2914  0.0262 -5.0038 3 1056.2347169  58516 30384 777      83 876        C-13-H3C-13-H2C-13-N
  601719.7452  0.0037 -5.8027 3   56.1275 37  58516 30318 612      17 413        C-13-H3C-13-H2C-13-N
  601719.8577  0.0441 -4.9881 3 1727.7485139  58516 303693831      683830        C-13-H3C-13-H2C-13-N
  601719.8577  0.0441 -4.9881 3 1727.7485139  58516 303693832      683831        C-13-H3C-13-H2C-13-N
  601839.7476  0.0037 -5.8026 3   56.1235 37  58516 30318 613      17 414        C-13-H3C-13-H2C-13-N
  601848.0290  0.0300 -2.7024 3  704.2971139 -58516 30369 564      68 563        C-13-H3C-13-H2C-13-N
  601856.0765  0.0040 -5.3878 3  456.8079109  58516 30354 846      54 649        C-13-H3C-13-H2C-13-N
  601910.6920  0.0300 -3.6274 3  293.1655 89 -58516 30344 639      43 538        C-13-H3C-13-H2C-13-N
  602136.5319  0.0610 -5.1109 3 1782.1000139  58516 303693930      683929        C-13-H3C-13-H2C-13-N
  602136.5319  0.0610 -5.1109 3 1782.1000139  58516 303693931      683930        C-13-H3C-13-H2C-13-N
  602209.0530  0.0300 -3.8451 3  731.4480145 -58516 30372 270      71 369        C-13-H3C-13-H2C-13-N
  602225.3710  0.0300 -2.7387 3  731.4480145 -58516 30372 370      71 369        C-13-H3C-13-H2C-13-N
  602229.4180  0.0300 -2.7387 3  731.4473145 -58516 30372 270      71 269        C-13-H3C-13-H2C-13-N
  602236.9074  0.1222 -5.5975 3 1099.2825127  58516 303632736      642639        C-13-H3C-13-H2C-13-N
  602236.9074  0.1222 -5.5975 3 1099.2825127  58516 303632737      642638        C-13-H3C-13-H2C-13-N
  602245.7730  0.0300 -3.8450 3  731.4473145 -58516 30372 370      71 269        C-13-H3C-13-H2C-13-N
  602379.2707  0.0016 -3.3556 3  170.8070 63  58516 30331 824      30 723        C-13-H3C-13-H2C-13-N
  602380.5027  0.0016 -3.3556 3  170.8069 63  58516 30331 823      30 724        C-13-H3C-13-H2C-13-N
  602399.5894  0.0063 -5.5432 3  610.6099127  58516 30363 855      63 658        C-13-H3C-13-H2C-13-N
  602414.1295  0.0030 -5.2558 3  115.8961 57  58516 30328 524      27 325        C-13-H3C-13-H2C-13-N
  602563.1876  0.0830 -5.2368 3 1837.6898139  58516 303694029      684028        C-13-H3C-13-H2C-13-N
  602563.1876  0.0830 -5.2368 3 1837.6898139  58516 303694030      684029        C-13-H3C-13-H2C-13-N
  602580.7670  0.0300 -4.0314 3  735.5900143 -58516 30371 467      70 566        C-13-H3C-13-H2C-13-N
  602596.7275  0.0045 -5.8725 3  108.1104 53  58516 30326 621      26 324        C-13-H3C-13-H2C-13-N
  602656.8324  0.0923 -5.8742 3 1430.5943203  58516 303A1 299      A1 1A0        C-13-H3C-13-H2C-13-N
  602656.8566  0.0923 -5.8742 3 1430.5943203  58516 303A1 399      A1 2A0        C-13-H3C-13-H2C-13-N
  602757.8123  0.0038 -5.3770 3  441.1479107  58516 30353 845      53 648        C-13-H3C-13-H2C-13-N
  602999.5991  0.1113 -5.3658 3 1894.5063139  58516 303694128      684127        C-13-H3C-13-H2C-13-N
  602999.5991  0.1113 -5.3658 3 1894.5063139  58516 303694129      684128        C-13-H3C-13-H2C-13-N
  603072.5319  0.0806 -5.3946 3  972.4468117  58516 303582632      592535        C-13-H3C-13-H2C-13-N
  603072.5319  0.0806 -5.3946 3  972.4468117  58516 303582633      592534        C-13-H3C-13-H2C-13-N
  603213.0987  0.0045 -5.8088 3  115.8961 55  58516 30327 622      27 325        C-13-H3C-13-H2C-13-N
  603366.1466  0.0080 -5.0277 3  619.2522129  58516 30364 757      64 460        C-13-H3C-13-H2C-13-N
  603394.0327  0.0034 -5.3453 3  353.4595 95  58516 30347 840      47 641        C-13-H3C-13-H2C-13-N
  603445.5529  0.1472 -5.4979 3 1952.5379139  58516 303694227      684226        C-13-H3C-13-H2C-13-N
  603445.5529  0.1472 -5.4979 3 1952.5379139  58516 303694228      684227        C-13-H3C-13-H2C-13-N
  603522.4681  0.0053 -5.0652 3  385.1264101  58516 30350 743      50 446        C-13-H3C-13-H2C-13-N
  603704.0535  0.0047 -4.2549 3  787.1412147  58516 30373 568      72 667        C-13-H3C-13-H2C-13-N
  603747.8926  0.0037 -5.3675 3  425.7764105  58516 30352 844      52 647        C-13-H3C-13-H2C-13-N
  603854.5648  0.0034 -3.7912 3  737.5741147  58516 30373 172      72 271        C-13-H3C-13-H2C-13-N
  603855.0090  0.0300 -2.7424 3  737.5741147 -58516 30373 272      72 271        C-13-H3C-13-H2C-13-N
  603855.0090  0.0300 -2.7424 3  737.5741147 -58516 30373 172      72 171        C-13-H3C-13-H2C-13-N
  603855.4511  0.0034 -3.7912 3  737.5741147  58516 30373 272      72 171        C-13-H3C-13-H2C-13-N
  603867.4570  0.0508 -5.2190 3  854.2407107  58516 303532528      542431        C-13-H3C-13-H2C-13-N
  603867.4570  0.0508 -5.2190 3  854.2407107  58516 303532529      542430        C-13-H3C-13-H2C-13-N
  603900.8466  0.1923 -5.6331 3 2011.7728139  58516 303694326      684325        C-13-H3C-13-H2C-13-N
  603900.8466  0.1923 -5.6331 3 2011.7728139  58516 303694327      684326        C-13-H3C-13-H2C-13-N
  604025.1640  0.0045 -5.7495 3  123.9657 57  58516 30328 623      28 326        C-13-H3C-13-H2C-13-N
  604057.8092  0.0068 -5.5676 3  629.1135129  58516 30364 856      64 659        C-13-H3C-13-H2C-13-N
  604070.0440  0.0300 -3.2988 3  141.5072 53 -58516 30326 918      25 817        C-13-H3C-13-H2C-13-N
  604070.0440  0.0300 -3.2988 3  141.5072 53 -58516 30326 917      25 818        C-13-H3C-13-H2C-13-N
  604365.2882  0.2483 -5.7715 3 2072.1991139  58516 303694425      684424        C-13-H3C-13-H2C-13-N
  604365.2882  0.2483 -5.7715 3 2072.1991139  58516 303694426      684425        C-13-H3C-13-H2C-13-N
  604387.1621  0.0109 -5.5233 3  321.7057 95  58516 30347 443      47 146        C-13-H3C-13-H2C-13-N
  604587.7330  0.0300 -3.0929 3  886.9708141 -58516 303701654      691653        C-13-H3C-13-H2C-13-N
  604587.7330  0.0300 -3.0929 3  886.9708141 -58516 303701655      691654        C-13-H3C-13-H2C-13-N
  604611.9880  0.0500 -3.0421 3  864.0035141 -58516 303701555      691554        C-13-H3C-13-H2C-13-N
  604611.9880  0.0500 -3.0421 3  864.0035141 -58516 303701556      691555        C-13-H3C-13-H2C-13-N
  604612.7014  0.0303 -5.0739 3  744.6740 97  58516 303482424      492327        C-13-H3C-13-H2C-13-N
  604612.7014  0.0303 -5.0739 3  744.6740 97  58516 303482425      492326        C-13-H3C-13-H2C-13-N
  604613.1440  0.0500 -3.1469 3  911.4133141 -58516 303701753      691752        C-13-H3C-13-H2C-13-N
  604613.1440  0.0500 -3.1469 3  911.4133141 -58516 303701754      691753        C-13-H3C-13-H2C-13-N
  604656.4940  0.0300 -2.7375 3  725.8103141 -58516 30370 665      69 664        C-13-H3C-13-H2C-13-N
  604679.5200  0.0300 -3.2041 3  937.3197141 -58516 303701852      691851        C-13-H3C-13-H2C-13-N
  604679.5200  0.0300 -3.2041 3  937.3197141 -58516 303701853      691852        C-13-H3C-13-H2C-13-N
  604697.9970  0.0300 -2.9946 3  842.5244141 -58516 303701457      691456        C-13-H3C-13-H2C-13-N
  604697.9970  0.0300 -2.9946 3  842.5244141 -58516 303701456      691455        C-13-H3C-13-H2C-13-N
  604780.7430  0.0300 -3.2644 3  964.6797141 -58516 303701951      691950        C-13-H3C-13-H2C-13-N
  604780.7430  0.0300 -3.2644 3  964.6797141 -58516 303701952      691951        C-13-H3C-13-H2C-13-N
  604804.2918  0.0036 -5.3592 3  410.6939103  58516 30351 843      51 646        C-13-H3C-13-H2C-13-N
  604863.0530  0.0300 -2.9503 3  822.5488141 -58516 303701358      691357        C-13-H3C-13-H2C-13-N
  604863.0530  0.0300 -2.9503 3  822.5488141 -58516 303701357      691356        C-13-H3C-13-H2C-13-N
  604912.0270  0.0300 -3.3280 3  993.4833141 -58516 303702050      692049        C-13-H3C-13-H2C-13-N
  604912.0270  0.0300 -3.3280 3  993.4833141 -58516 303702051      692050        C-13-H3C-13-H2C-13-N
  605058.7965  0.0045 -5.6943 3  132.3182 59  58516 30329 624      29 327        C-13-H3C-13-H2C-13-N
  605069.8240  0.0300 -3.3947 3 1023.7210141 -58516 303702149      692148        C-13-H3C-13-H2C-13-N
  605069.8240  0.0300 -3.3947 3 1023.7210141 -58516 303702150      692149        C-13-H3C-13-H2C-13-N
  605133.4750  0.0300 -2.9092 3  804.0962141 -58516 303701259      691258        C-13-H3C-13-H2C-13-N
  605133.4750  0.0300 -2.9092 3  804.0962141 -58516 303701258      691257        C-13-H3C-13-H2C-13-N
  605167.0310  0.0300 -3.2614 3  120.9428 43 -58516 303211011      20 912        C-13-H3C-13-H2C-13-N
  605167.0310  0.0300 -3.2614 3  120.9428 43 -58516 303211012      20 911        C-13-H3C-13-H2C-13-N
  605210.3747  0.0089 -5.8229 3  538.6054121  58516 30360 654      60 457        C-13-H3C-13-H2C-13-N
  605251.2390  0.0300 -3.4646 3 1055.3834141 -58516 303702248      692247        C-13-H3C-13-H2C-13-N
  605251.2390  0.0300 -3.4646 3 1055.3834141 -58516 303702249      692248        C-13-H3C-13-H2C-13-N
  605299.1428  0.0167 -4.9640 3  643.7554 87  58516 303432320      442223        C-13-H3C-13-H2C-13-N
  605299.1428  0.0167 -4.9640 3  643.7554 87  58516 303432321      442222        C-13-H3C-13-H2C-13-N
  605433.0434  0.0032 -4.9205 3  191.2718 73  58516 30336 531      35 332        C-13-H3C-13-H2C-13-N
  605440.5029  0.0049 -4.8045 3  230.8239 81  58516 30340 436      39 237        C-13-H3C-13-H2C-13-N
  605454.0960  0.0300 -3.5377 3 1088.4611141 -58516 303702347      692346        C-13-H3C-13-H2C-13-N
  605454.0960  0.0300 -3.5377 3 1088.4611141 -58516 303702348      692347        C-13-H3C-13-H2C-13-N
  605525.5581  0.0062 -3.7452 3  742.6443149  58516 30374 074      73 173        C-13-H3C-13-H2C-13-N
  605525.5710  0.0500 -2.7440 3  742.6443149 -58516 30374 174      73 173        C-13-H3C-13-H2C-13-N
  605525.5710  0.0500 -2.7440 3  742.6443149 -58516 30374 074      73 073        C-13-H3C-13-H2C-13-N
  605525.5674  0.0062 -3.7452 3  742.6443149  58516 30374 174      73 073        C-13-H3C-13-H2C-13-N
  605550.3160  0.0500 -2.8713 3  787.1931141 -58516 303701160      691159        C-13-H3C-13-H2C-13-N
  605552.1190  0.0500 -2.8713 3  787.1932141 -58516 303701159      691158        C-13-H3C-13-H2C-13-N
  605633.1612  0.0019 -3.5848 3  267.8766 85  58516 30342 636      41 537        C-13-H3C-13-H2C-13-N
  605656.2590  0.0300 -3.9983 3  715.3875141 -58516 30370 566      69 465        C-13-H3C-13-H2C-13-N
  605676.5990  0.0300 -3.6139 3 1122.9449141 -58516 303702446      692445        C-13-H3C-13-H2C-13-N
  605676.5990  0.0300 -3.6139 3 1122.9449141 -58516 303702447      692446        C-13-H3C-13-H2C-13-N
  605746.8142  0.0033 -5.3422 3  339.7879 93  58516 30346 839      46 640        C-13-H3C-13-H2C-13-N
  605907.0897  0.0036 -5.3522 3  395.9008101  58516 30350 842      50 645        C-13-H3C-13-H2C-13-N
  605917.2990  0.0300 -3.6932 3 1158.8252141 -58516 303702545      692544        C-13-H3C-13-H2C-13-N
  605917.2990  0.0300 -3.6932 3 1158.8252141 -58516 303702546      692545        C-13-H3C-13-H2C-13-N
  605917.6147  0.0083 -4.8972 3  551.4927 77  58516 303382216      392119        C-13-H3C-13-H2C-13-N
  605917.6147  0.0083 -4.8972 3  551.4927 77  58516 303382217      392118        C-13-H3C-13-H2C-13-N
  605935.1770  0.0300 -2.7245 3  717.1598139 -58516 30369 762      68 761        C-13-H3C-13-H2C-13-N
  605973.8510  0.0300 -3.2350 3  109.0781 33 -58516 3031611 5      1510 6        C-13-H3C-13-H2C-13-N
  605973.8510  0.0300 -3.2350 3  109.0781 33 -58516 3031611 6      1510 5        C-13-H3C-13-H2C-13-N
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  608031.1090  0.0300 -4.3357 3 1448.2716141 -58516 303703239      693238        C-13-H3C-13-H2C-13-N
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  609660.0501  0.1792 -5.7874 3 1214.7941135  58516 303672840      682741        C-13-H3C-13-H2C-13-N
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  609923.3584  0.0330 -4.8868 3 1694.7045141  58516 303703734      693733        C-13-H3C-13-H2C-13-N
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  610113.6637  0.0036 -5.7378 3   61.3352 39  58516 30319 613      18 414        C-13-H3C-13-H2C-13-N
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  610334.9453  0.0462 -5.0062 3 1747.8197141  58516 303703833      693832        C-13-H3C-13-H2C-13-N
  610455.4100  0.0033 -5.3371 3  339.6316 93  58516 30346 838      46 641        C-13-H3C-13-H2C-13-N
  610572.4192  0.1222 -5.5639 3 1080.7792125  58516 303622735      632638        C-13-H3C-13-H2C-13-N
  610572.4192  0.1222 -5.5639 3 1080.7792125  58516 303622736      632637        C-13-H3C-13-H2C-13-N
  610756.9148  0.0635 -5.1287 3 1802.1851141  58516 303703931      693930        C-13-H3C-13-H2C-13-N
  610756.9148  0.0635 -5.1287 3 1802.1851141  58516 303703932      693931        C-13-H3C-13-H2C-13-N
  610914.0610  0.0300 -3.3556 3  179.7671 65 -58516 30332 825      31 724        C-13-H3C-13-H2C-13-N
  610915.9650  0.0300 -3.3556 3  179.7671 65 -58516 30332 824      31 725        C-13-H3C-13-H2C-13-N
  611053.6710  0.0096 -5.7702 3  657.2734133  58516 30366 759      66 562        C-13-H3C-13-H2C-13-N
  611181.2730  0.0300 -3.6633 3  319.2448 93 -58516 30346 641      45 540        C-13-H3C-13-H2C-13-N
  611189.0205  0.0860 -5.2542 3 1857.7891141  58516 303704030      694029        C-13-H3C-13-H2C-13-N
  611189.0205  0.0860 -5.2542 3 1857.7891141  58516 303704031      694030        C-13-H3C-13-H2C-13-N
  611401.3740  0.0300 -4.0480 3  755.8446145 -58516 30372 468      71 567        C-13-H3C-13-H2C-13-N
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  611450.0903  0.0806 -5.3661 3  955.3850115  58516 303572632      582533        C-13-H3C-13-H2C-13-N
  611562.0844  0.0032 -5.3367 3  326.2916 91  58516 30345 837      45 640        C-13-H3C-13-H2C-13-N
  611580.2464  0.0069 -5.4863 3  235.5870 81  58516 30340 536      40 239        C-13-H3C-13-H2C-13-N
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  611631.0300  0.1149 -5.3827 3 1914.6202141  58516 303704130      694129        C-13-H3C-13-H2C-13-N
  611910.0654  0.0086 -5.0589 3  637.9529131  58516 30365 758      65 461        C-13-H3C-13-H2C-13-N
  611921.7583  0.0035 -3.8149 3  757.7166149  58516 30374 173      73 272        C-13-H3C-13-H2C-13-N
  611922.1100  0.0300 -2.7672 3  757.7166149 -58516 30374 273      73 272        C-13-H3C-13-H2C-13-N
  611922.1100  0.0300 -2.7672 3  757.7166149 -58516 30374 173      73 172        C-13-H3C-13-H2C-13-N
  611922.4567  0.0035 -3.8149 3  757.7166149  58516 30374 273      73 172        C-13-H3C-13-H2C-13-N
  611940.2404  0.0047 -5.5134 3  168.5442 67  58516 30333 628      33 331        C-13-H3C-13-H2C-13-N
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  612082.7239  0.1514 -5.5143 3 1972.6667141  58516 303704229      694228        C-13-H3C-13-H2C-13-N
  612248.2905  0.0030 -5.2224 3  123.9657 59  58516 30329 525      28 326        C-13-H3C-13-H2C-13-N
  612284.2506  0.0508 -5.1965 3  838.6219105  58516 303522527      532430        C-13-H3C-13-H2C-13-N
  612284.2506  0.0508 -5.1965 3  838.6219105  58516 303522528      532429        C-13-H3C-13-H2C-13-N
  612431.5082  0.0045 -4.5878 3  144.2810 65  58516 30332 429      31 130        C-13-H3C-13-H2C-13-N
  612531.6472  0.0076 -4.4352 3  192.3517 75  58516 30337 334      36 235        C-13-H3C-13-H2C-13-N
  612543.8940  0.1973 -5.6490 3 2031.9167141  58516 303704327      694326        C-13-H3C-13-H2C-13-N
  612543.8940  0.1973 -5.6490 3 2031.9167141  58516 303704328      694327        C-13-H3C-13-H2C-13-N
  612637.0594  0.0032 -5.3377 3  313.2431 89  58516 30344 836      44 639        C-13-H3C-13-H2C-13-N
  612699.5430  0.0300 -3.2952 3  149.0162 55 -58516 30327 919      26 818        C-13-H3C-13-H2C-13-N
  612699.5430  0.0300 -3.2952 3  149.0162 55 -58516 30327 918      26 819        C-13-H3C-13-H2C-13-N
  612725.5910  0.0300 -4.0164 3  735.4063143 -58516 30371 567      70 466        C-13-H3C-13-H2C-13-N
  612892.7600  0.0300 -2.7619 3  745.9795143 -58516 30371 666      70 665        C-13-H3C-13-H2C-13-N
  612932.8664  0.0031 -5.3458 3  288.0784 85  58516 30342 835      42 636        C-13-H3C-13-H2C-13-N
  612946.0415  0.0057 -4.0949 3  242.6663 83  58516 30341 437      40 338        C-13-H3C-13-H2C-13-N
  613014.3430  0.2542 -5.7868 3 2092.3585141  58516 303704426      694425        C-13-H3C-13-H2C-13-N
  613014.3430  0.2542 -5.7868 3 2092.3585141  58516 303704427      694426        C-13-H3C-13-H2C-13-N
  613065.8776  0.0303 -5.0583 3  730.4994 95  58516 303472423      482326        C-13-H3C-13-H2C-13-N
  613065.8776  0.0303 -5.0583 3  730.4994 95  58516 303472424      482325        C-13-H3C-13-H2C-13-N
  613155.6670  0.0300 -3.1162 3  907.1377143 -58516 303711655      701654        C-13-H3C-13-H2C-13-N
  613155.6670  0.0300 -3.1162 3  907.1377143 -58516 303711656      701655        C-13-H3C-13-H2C-13-N
  613176.4070  0.0300 -3.1700 3  931.5810143 -58516 303711754      701753        C-13-H3C-13-H2C-13-N
  613176.4070  0.0300 -3.1700 3  931.5810143 -58516 303711755      701754        C-13-H3C-13-H2C-13-N
  613186.3730  0.0300 -3.0655 3  884.1712143 -58516 303711556      701555        C-13-H3C-13-H2C-13-N
  613186.3730  0.0300 -3.0655 3  884.1712143 -58516 303711557      701556        C-13-H3C-13-H2C-13-N
  613239.6240  0.0300 -3.2271 3  957.4897143 -58516 303711853      701852        C-13-H3C-13-H2C-13-N
  613239.6240  0.0300 -3.2271 3  957.4897143 -58516 303711854      701853        C-13-H3C-13-H2C-13-N
  613281.1150  0.0300 -3.0180 3  862.6950143 -58516 303711458      701457        C-13-H3C-13-H2C-13-N
  613281.1150  0.0300 -3.0180 3  862.6950143 -58516 303711457      701456        C-13-H3C-13-H2C-13-N
  613338.7740  0.0300 -3.2874 3  984.8530143 -58516 303711952      701951        C-13-H3C-13-H2C-13-N
  613338.7740  0.0300 -3.2874 3  984.8530143 -58516 303711953      701952        C-13-H3C-13-H2C-13-N
  613458.1320  0.0500 -2.9737 3  842.7249143 -58516 303711359      701358        C-13-H3C-13-H2C-13-N
  613458.1320  0.0500 -2.9737 3  842.7249143 -58516 303711358      701357        C-13-H3C-13-H2C-13-N
  613468.9040  0.0300 -3.3509 3 1013.6610143 -58516 303712051      702050        C-13-H3C-13-H2C-13-N
  613468.9040  0.0300 -3.3509 3 1013.6610143 -58516 303712052      702051        C-13-H3C-13-H2C-13-N
  613594.3358  0.0064 -3.7699 3  762.8425151  58516 30375 075      74 174        C-13-H3C-13-H2C-13-N
  613594.3450  0.0300 -2.7690 3  762.8425151 -58516 30375 175      74 174        C-13-H3C-13-H2C-13-N
  613594.3450  0.0300 -2.7690 3  762.8425151 -58516 30375 075      74 074        C-13-H3C-13-H2C-13-N
  613594.3431  0.0064 -3.7699 3  762.8425151  58516 30375 175      74 074        C-13-H3C-13-H2C-13-N
  613626.3280  0.0300 -3.4175 3 1043.9039143 -58516 303712150      702149        C-13-H3C-13-H2C-13-N
  613626.3280  0.0300 -3.4175 3 1043.9039143 -58516 303712151      702150        C-13-H3C-13-H2C-13-N
  613673.4411  0.0032 -5.3400 3  300.4861 87  58516 30343 835      43 638        C-13-H3C-13-H2C-13-N
  613745.0840  0.0300 -2.9327 3  824.2813143 -58516 303711260      701259        C-13-H3C-13-H2C-13-N
  613745.0840  0.0300 -2.9327 3  824.2813143 -58516 303711259      701258        C-13-H3C-13-H2C-13-N
  613785.8274  0.0167 -4.9570 3  631.0261 85  58516 303422319      432222        C-13-H3C-13-H2C-13-N
  613785.8274  0.0167 -4.9570 3  631.0261 85  58516 303422320      432221        C-13-H3C-13-H2C-13-N
  613808.0420  0.0500 -3.4873 3 1075.5724143 -58516 303712249      702248        C-13-H3C-13-H2C-13-N
  613808.0420  0.0500 -3.4873 3 1075.5724143 -58516 303712250      702249        C-13-H3C-13-H2C-13-N
  613833.2500  0.0300 -3.2550 3  127.0063 45 -58516 303221012      21 913        C-13-H3C-13-H2C-13-N
  613833.2500  0.0300 -3.2550 3  127.0063 45 -58516 303221013      21 912        C-13-H3C-13-H2C-13-N
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  614011.7060  0.0300 -3.5602 3 1108.6569143 -58516 303712349      702348        C-13-H3C-13-H2C-13-N
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  614187.5020  0.0500 -2.8949 3  807.3923143 -58516 303711160      701159        C-13-H3C-13-H2C-13-N
  614235.6410  0.0300 -3.6363 3 1143.1481143 -58516 303712447      702446        C-13-H3C-13-H2C-13-N
  614235.6410  0.0300 -3.6363 3 1143.1481143 -58516 303712448      702447        C-13-H3C-13-H2C-13-N
  614286.6919  0.0031 -5.3507 3  275.8911 83  58516 30341 834      41 635        C-13-H3C-13-H2C-13-N
  614351.7863  0.0074 -5.1368 3  192.2910 75  58516 30337 334      36 135        C-13-H3C-13-H2C-13-N
  614434.9340  0.0084 -4.9017 3  540.2095 75  58516 303372215      382118        C-13-H3C-13-H2C-13-N
  614434.9340  0.0084 -4.9017 3  540.2095 75  58516 303372216      382117        C-13-H3C-13-H2C-13-N
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  614478.1430  0.0300 -3.7155 3 1179.0364143 -58516 303712547      702546        C-13-H3C-13-H2C-13-N
  614480.3856  0.0047 -5.4777 3  178.3008 69  58516 30334 629      34 332        C-13-H3C-13-H2C-13-N
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  614652.3460  0.0300 -3.2273 3  113.6980 35 -58516 3031711 7      1610 6        C-13-H3C-13-H2C-13-N
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  614740.4680  0.0300 -3.5979 3  280.0554 87 -58516 30343 637      42 538        C-13-H3C-13-H2C-13-N
  614755.5223  0.0459 -5.4574 3 1270.4221185  58516 30392 884      91 983        C-13-H3C-13-H2C-13-N
  614843.6790  0.0300 -2.8603 3  792.0980143 -58516 303711062      701061        C-13-H3C-13-H2C-13-N
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  615004.1257  0.0045 -4.9098 3  458.0559 65  58516 303322112      332013        C-13-H3C-13-H2C-13-N
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  615014.3120  0.0300 -3.8833 3 1254.9661143 -58516 303712745      702744        C-13-H3C-13-H2C-13-N
  615027.2821  0.0099 -5.2823 3  431.1611109  58516 30354 549      54 252        C-13-H3C-13-H2C-13-N
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  615078.2626  0.0040 -3.8132 3  285.5353 89  58516 30344 539      43 440        C-13-H3C-13-H2C-13-N
  615107.1130  0.0300 -2.7475 3  737.3716141 -58516 30370 763      69 762        C-13-H3C-13-H2C-13-N
  615144.8290  0.0027 -3.6829 3  332.7437 95  58516 30347 642      46 541        C-13-H3C-13-H2C-13-N
  615227.7010  0.0300 -4.2632 3  808.1324149 -58516 30374 569      73 668        C-13-H3C-13-H2C-13-N
  615276.0830  0.0300 -3.1990 3  109.0759 25 -58516 3031212 0      1111 1        C-13-H3C-13-H2C-13-N
  615276.0830  0.0300 -3.1990 3  109.0759 25 -58516 3031212 1      1111 0        C-13-H3C-13-H2C-13-N
  615297.7000  0.0300 -2.7725 3  755.8446145 -58516 30372 568      71 567        C-13-H3C-13-H2C-13-N
  615306.0220  0.0300 -3.9718 3 1294.9879143 -58516 303712843      702842        C-13-H3C-13-H2C-13-N
  615306.0220  0.0300 -3.9718 3 1294.9879143 -58516 303712844      702843        C-13-H3C-13-H2C-13-N
  615469.4250  0.0300 -3.4513 3  230.0832 77 -58516 30338 732      37 631        C-13-H3C-13-H2C-13-N
  615484.5608  0.0040 -5.0203 3  384.5707 55  58516 3032720 7      281910        C-13-H3C-13-H2C-13-N
  615484.5608  0.0040 -5.0203 3  384.5707 55  58516 3032720 8      2819 9        C-13-H3C-13-H2C-13-N
  615500.9610  0.0030 -5.3572 3  263.9985 81  58516 30340 833      40 634        C-13-H3C-13-H2C-13-N
  615609.9531  0.0031 -5.3492 3  275.8471 83  58516 30341 833      41 636        C-13-H3C-13-H2C-13-N
  615612.4272  0.0036 -4.0634 3 1336.3677143  58516 303712942      702941        C-13-H3C-13-H2C-13-N
  615612.4272  0.0036 -4.0634 3 1336.3677143  58516 303712943      702942        C-13-H3C-13-H2C-13-N
  615761.3370  0.0300 -2.8289 3  778.4547143 -58516 30371 963      70 962        C-13-H3C-13-H2C-13-N
  615858.5341  0.0095 -5.6820 3  705.9166137  58516 30368 860      68 663        C-13-H3C-13-H2C-13-N
  615867.7876  0.0045 -5.3555 3  319.7585 45  58516 3032219 3      2318 6        C-13-H3C-13-H2C-13-N
  615867.7876  0.0045 -5.3555 3  319.7585 45  58516 3032219 4      2318 5        C-13-H3C-13-H2C-13-N
  615911.6120  0.0300 -3.4508 3  230.0695 77 -58516 30338 731      37 632        C-13-H3C-13-H2C-13-N
  615932.9190  0.0500 -4.1581 3 1379.0955143 -58516 303713041      703040        C-13-H3C-13-H2C-13-N
  615932.9190  0.0500 -4.1581 3 1379.0955143 -58516 303713042      703041        C-13-H3C-13-H2C-13-N
  616038.5260  0.0300 -2.7711 3  755.6900145 -58516 30372 468      71 467        C-13-H3C-13-H2C-13-N
  616082.3720  0.0300 -2.8286 3  778.4965143 -58516 30371 962      70 961        C-13-H3C-13-H2C-13-N
  616150.7360  0.0300 -2.7788 3  755.9265143 -58516 30371 765      70 764        C-13-H3C-13-H2C-13-N
  616266.8713  0.0049 -4.2559 3 1423.1608143  58516 303713140      703139        C-13-H3C-13-H2C-13-N
  616266.8713  0.0049 -4.2559 3 1423.1608143  58516 303713141      703140        C-13-H3C-13-H2C-13-N
  616269.0311  0.0053 -5.1239 3  356.0040 97  58516 30348 741      48 444        C-13-H3C-13-H2C-13-N
  616502.9980  0.0030 -5.3561 3  263.9651 81  58516 30340 832      40 635        C-13-H3C-13-H2C-13-N
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  616550.5840  0.0300 -3.9547 3  764.5049147 -58516 30373 370      72 469        C-13-H3C-13-H2C-13-N
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  616613.8360  0.0300 -4.3567 3 1468.5534143 -58516 303713240      703239        C-13-H3C-13-H2C-13-N
  616623.0860  0.0300 -2.8013 3  766.4815143 -58516 30371 864      70 863        C-13-H3C-13-H2C-13-N
  616809.5020  0.0300 -2.7819 3  764.5049147 -58516 30373 470      72 469        C-13-H3C-13-H2C-13-N
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  616867.2460  0.0300 -2.7818 3  764.4944147 -58516 30373 370      72 369        C-13-H3C-13-H2C-13-N
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  616973.2150  0.0300 -4.4606 3 1515.2625143 -58516 303713339      703338        C-13-H3C-13-H2C-13-N
  617126.1932  0.0021 -3.9539 3  764.4944147  58516 30373 470      72 369        C-13-H3C-13-H2C-13-N
  617343.0063  0.0030 -5.3645 3  252.3749 79  58516 30339 831      39 634        C-13-H3C-13-H2C-13-N
  617344.8938  0.0122 -4.5675 3 1563.2776143  58516 303713437      703436        C-13-H3C-13-H2C-13-N
  617344.8938  0.0122 -4.5675 3 1563.2776143  58516 303713438      703437        C-13-H3C-13-H2C-13-N
  617400.4575  0.0048 -5.4455 3  188.3359 71  58516 30335 630      35 333        C-13-H3C-13-H2C-13-N
  617476.9160  0.0300 -2.7525 3  744.7092143 -58516 30371 566      70 565        C-13-H3C-13-H2C-13-N
  617569.2520  0.0030 -5.3753 3  241.0950 77  58516 30338 831      38 632        C-13-H3C-13-H2C-13-N
  617728.2486  0.0174 -4.6775 3 1612.5878143  58516 303713536      703535        C-13-H3C-13-H2C-13-N
  617728.2486  0.0174 -4.6775 3 1612.5878143  58516 303713537      703536        C-13-H3C-13-H2C-13-N
  617957.7223  0.1792 -5.7501 3 1195.1370133  58516 303662838      672741        C-13-H3C-13-H2C-13-N
  617957.7223  0.1792 -5.7501 3 1195.1370133  58516 303662839      672740        C-13-H3C-13-H2C-13-N
  618123.0199  0.0248 -4.7905 3 1663.1821143  58516 303713635      703634        C-13-H3C-13-H2C-13-N
  618123.0199  0.0248 -4.7905 3 1663.1821143  58516 303713636      703635        C-13-H3C-13-H2C-13-N
  618128.9749  0.0030 -5.3746 3  241.0764 77  58516 30338 830      38 633        C-13-H3C-13-H2C-13-N
  618338.9970  0.0300 -3.8909 3  771.8931149 -58516 30374 272      73 371        C-13-H3C-13-H2C-13-N
  618349.5220  0.0500 -2.7886 3  771.8931149 -58516 30374 372      73 371        C-13-H3C-13-H2C-13-N
  618352.1280  0.0500 -2.7886 3  771.8927149 -58516 30374 272      73 271        C-13-H3C-13-H2C-13-N
  618362.6250  0.0300 -3.8909 3  771.8927149 -58516 30374 372      73 271        C-13-H3C-13-H2C-13-N
  618446.1982  0.0035 -5.6771 3   66.8345 41  58516 30320 614      19 415        C-13-H3C-13-H2C-13-N
  618448.0759  0.0030 -5.3869 3  230.0832 75  58516 30337 830      37 631        C-13-H3C-13-H2C-13-N
  618528.8959  0.0349 -4.9065 3 1715.0493143  58516 303713734      703733        C-13-H3C-13-H2C-13-N
  618528.8959  0.0349 -4.9065 3 1715.0493143  58516 303713735      703734        C-13-H3C-13-H2C-13-N
  618653.9910  0.0300 -3.7033 3  346.5488 97 -58516 30348 643      47 542        C-13-H3C-13-H2C-13-N
  618731.8726  0.0035 -5.6769 3   66.8250 41  58516 30320 615      19 416        C-13-H3C-13-H2C-13-N
  618860.6806  0.0030 -5.3864 3  230.0695 75  58516 30337 829      37 632        C-13-H3C-13-H2C-13-N
  618868.5900  0.0300 -2.7990 3  766.8456143 -58516 30371 863      70 862        C-13-H3C-13-H2C-13-N
  618914.5051  0.1223 -5.5315 3 1062.5625123  58516 303612734      622637        C-13-H3C-13-H2C-13-N
  618914.5051  0.1223 -5.5315 3 1062.5625123  58516 303612735      622636        C-13-H3C-13-H2C-13-N
  618945.5868  0.0484 -5.0256 3 1768.1783143  58516 303713833      703832        C-13-H3C-13-H2C-13-N
  618945.5868  0.0484 -5.0256 3 1768.1783143  58516 303713834      703833        C-13-H3C-13-H2C-13-N
  619237.3388  0.0030 -5.4003 3  219.3641 73  58516 30336 829      36 630        C-13-H3C-13-H2C-13-N
  619372.8225  0.0662 -5.1476 3 1822.5578143  58516 303713932      703931        C-13-H3C-13-H2C-13-N
  619372.8225  0.0662 -5.1476 3 1822.5578143  58516 303713933      703932        C-13-H3C-13-H2C-13-N
  619407.3877  0.0089 -5.5971 3  138.4057 65  58516 30332 330      31 131        C-13-H3C-13-H2C-13-N
  619432.9110  0.0500 -3.3566 3  189.0173 67 -58516 30333 826      32 725        C-13-H3C-13-H2C-13-N
  619435.8350  0.0500 -3.3566 3  189.0172 67 -58516 30333 825      32 726        C-13-H3C-13-H2C-13-N
  619538.5585  0.0030 -5.3999 3  219.3541 73  58516 30336 828      36 631        C-13-H3C-13-H2C-13-N
  619600.2056  0.0089 -4.8958 3  138.3992 65  58516 30332 330      31 031        C-13-H3C-13-H2C-13-N
  619635.8164  0.0267 -5.0083 3 1080.5094171  58516 30385 778      84 877        C-13-H3C-13-H2C-13-N
  619810.3492  0.0892 -5.2727 3 1878.1762143  58516 303714031      704030        C-13-H3C-13-H2C-13-N
  619810.3492  0.0892 -5.2727 3 1878.1762143  58516 303714032      704031        C-13-H3C-13-H2C-13-N
  619833.8373  0.0806 -5.3391 3  938.6102113  58516 303562630      572533        C-13-H3C-13-H2C-13-N
  619833.8373  0.0806 -5.3391 3  938.6102113  58516 303562631      572532        C-13-H3C-13-H2C-13-N
  619934.8300  0.0300 -4.0355 3  755.6900145 -58516 30372 568      71 467        C-13-H3C-13-H2C-13-N
  619945.9037  0.0029 -5.4155 3  208.9375 71  58516 30335 828      35 629        C-13-H3C-13-H2C-13-N
  619986.1959  0.0037 -3.8395 3  778.1281151  58516 30375 174      74 273        C-13-H3C-13-H2C-13-N
  619986.4660  0.0500 -2.7928 3  778.1281151 -58516 30375 274      74 273        C-13-H3C-13-H2C-13-N
  619986.4660  0.0500 -2.7928 3  778.1281151 -58516 30375 174      74 173        C-13-H3C-13-H2C-13-N
  619986.7462  0.0037 -3.8395 3  778.1281151  58516 30375 274      74 173        C-13-H3C-13-H2C-13-N
  620101.3600  0.0300 -4.0659 3  776.3688147 -58516 30373 469      72 568        C-13-H3C-13-H2C-13-N
  620163.5891  0.0029 -5.4153 3  208.9302 71  58516 30335 827      35 630        C-13-H3C-13-H2C-13-N
  620257.9280  0.1187 -5.4009 3 1935.0220143  58516 303714130      704129        C-13-H3C-13-H2C-13-N
  620257.9280  0.1187 -5.4009 3 1935.0220143  58516 303714131      704130        C-13-H3C-13-H2C-13-N
  620346.2824  0.0105 -5.7152 3  725.8103139  58516 30369 861      69 664        C-13-H3C-13-H2C-13-N
  620581.5423  0.0029 -5.4326 3  198.8028 69  58516 30334 827      34 628        C-13-H3C-13-H2C-13-N
  620593.9826  0.0028 -4.8206 3  223.9666 79  58516 30339 534      38 335        C-13-H3C-13-H2C-13-N
  620706.8502  0.0509 -5.1756 3  823.2905103  58516 303512526      522429        C-13-H3C-13-H2C-13-N
  620706.8502  0.0509 -5.1756 3  823.2905103  58516 303512527      522428        C-13-H3C-13-H2C-13-N
  620715.3332  0.1560 -5.5320 3 1993.0835143  58516 303714229      704228        C-13-H3C-13-H2C-13-N
  620715.3332  0.1560 -5.5320 3 1993.0835143  58516 303714230      704229        C-13-H3C-13-H2C-13-N
  620725.2059  0.0049 -5.4170 3  198.6489 73  58516 30336 631      36 334        C-13-H3C-13-H2C-13-N
  620737.1961  0.0029 -5.4325 3  198.7976 69  58516 30334 826      34 629        C-13-H3C-13-H2C-13-N
  621106.6660  0.0300 -2.7870 3  766.4234145 -58516 30372 667      71 666        C-13-H3C-13-H2C-13-N
  621151.0911  0.0030 -5.4518 3  188.9600 67  58516 30333 826      33 627        C-13-H3C-13-H2C-13-N
  621182.3511  0.2027 -5.6663 3 2052.3490143  58516 303714328      704327        C-13-H3C-13-H2C-13-N
  621182.3511  0.2027 -5.6663 3 2052.3490143  58516 303714329      704328        C-13-H3C-13-H2C-13-N
  621261.1533  0.0030 -5.4516 3  188.9563 67  58516 30333 825      33 628        C-13-H3C-13-H2C-13-N
  621322.3990  0.0300 -3.2925 3  156.8145 57 -58516 30328 920      27 819        C-13-H3C-13-H2C-13-N
  621322.3990  0.0300 -3.2925 3  156.8145 57 -58516 30328 919      27 820        C-13-H3C-13-H2C-13-N
  621524.4835  0.0303 -5.0447 3  716.6127 93  58516 303462422      472325        C-13-H3C-13-H2C-13-N
  621524.4835  0.0303 -5.0447 3  716.6127 93  58516 303462423      472324        C-13-H3C-13-H2C-13-N
  621658.7786  0.2607 -5.8035 3 2112.8065143  58516 303714427      704426        C-13-H3C-13-H2C-13-N
  621658.7786  0.2607 -5.8035 3 2112.8065143  58516 303714428      704427        C-13-H3C-13-H2C-13-N
  621660.3604  0.0066 -3.7954 3  783.3098153  58516 30376 076      75 175        C-13-H3C-13-H2C-13-N
  621660.3700  0.0300 -2.7948 3  783.3098153 -58516 30376 176      75 175        C-13-H3C-13-H2C-13-N
  621660.3700  0.0300 -2.7948 3  783.3098153 -58516 30376 076      75 075        C-13-H3C-13-H2C-13-N
  621660.3660  0.0066 -3.7954 3  783.3098153  58516 30376 176      75 075        C-13-H3C-13-H2C-13-N
  621660.5903  0.0030 -5.4729 3  179.4087 65  58516 30332 825      32 626        C-13-H3C-13-H2C-13-N
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  622277.5750  0.0167 -4.9526 3  618.5850 83  58516 303412319      422220        C-13-H3C-13-H2C-13-N
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  622497.1930  0.0300 -3.2493 3  133.3586 47 -58516 303231014      22 913        C-13-H3C-13-H2C-13-N
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  622903.9616  0.0031 -5.5499 3  152.5008 59  58516 30329 821      29 624        C-13-H3C-13-H2C-13-N
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  622956.9626  0.0084 -4.9098 3  529.2147 73  58516 303362215      372116        C-13-H3C-13-H2C-13-N
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  623034.9920  0.0300 -3.7387 3 1199.5332145 -58516 303722548      712547        C-13-H3C-13-H2C-13-N
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  624058.7081  0.0042 -5.0850 3  376.4701 53  58516 3032620 7      2719 8        C-13-H3C-13-H2C-13-N
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  624179.8904  0.0038 -4.0860 3 1356.9023145  58516 303722944      712943        C-13-H3C-13-H2C-13-N
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  624463.9095  0.0046 -5.5325 3  313.1052 43  58516 3032119 3      2218 4        C-13-H3C-13-H2C-13-N
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  624503.8150  0.0300 -4.1805 3 1399.6408145 -58516 303723043      713042        C-13-H3C-13-H2C-13-N
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  624650.6050  0.0300 -3.9771 3  785.0795149 -58516 30374 371      73 470        C-13-H3C-13-H2C-13-N
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  624841.4420  0.0300 -4.2781 3 1443.7173145 -58516 303723142      713141        C-13-H3C-13-H2C-13-N
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  625192.2740  0.0300 -4.3787 3 1489.1214145 -58516 303723241      713240        C-13-H3C-13-H2C-13-N
  625264.4030  0.0300 -2.7787 3  765.3060145 -58516 30372 567      71 566        C-13-H3C-13-H2C-13-N
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  625282.7830  0.0500 -2.7556 3  751.4792143 -58516 30371 665      70 664        C-13-H3C-13-H2C-13-N
  625551.8191  0.0115 -5.7505 3  745.9795141  58516 30370 862      70 665        C-13-H3C-13-H2C-13-N
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  625555.8569  0.0095 -4.4824 3 1535.8426145  58516 303723340      713339        C-13-H3C-13-H2C-13-N
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  625931.7944  0.0133 -4.5891 3 1583.8700145  58516 303723439      713438        C-13-H3C-13-H2C-13-N
  626262.3465  0.1792 -5.7141 3 1175.7660131  58516 303652837      662740        C-13-H3C-13-H2C-13-N
  626262.3465  0.1792 -5.7141 3 1175.7660131  58516 303652838      662739        C-13-H3C-13-H2C-13-N
  626319.6855  0.0188 -4.6988 3 1633.1930145  58516 303723537      713536        C-13-H3C-13-H2C-13-N
  626319.6855  0.0188 -4.6988 3 1633.1930145  58516 303723538      713537        C-13-H3C-13-H2C-13-N
  626361.5860  0.0045 -4.2739 3  829.3962151  58516 30375 570      74 669        C-13-H3C-13-H2C-13-N
  626399.1620  0.0300 -3.9151 3  792.5190151 -58516 30375 273      74 372        C-13-H3C-13-H2C-13-N
  626407.5330  0.0500 -2.8147 3  792.5190151 -58516 30375 373      74 372        C-13-H3C-13-H2C-13-N
  626409.6590  0.0500 -2.8147 3  792.5187151 -58516 30375 273      74 272        C-13-H3C-13-H2C-13-N
  626418.0390  0.0300 -3.9151 3  792.5187151 -58516 30375 373      74 272        C-13-H3C-13-H2C-13-N
  626553.1050  0.0300 -3.7678 3  389.7943103 -58516 30351 646      50 545        C-13-H3C-13-H2C-13-N
  626705.8558  0.0035 -5.6202 3   72.6257 43  58516 30321 615      20 416        C-13-H3C-13-H2C-13-N
  626717.4481  0.0028 -4.7927 3  235.4314 81  58516 30340 535      39 336        C-13-H3C-13-H2C-13-N
  626719.1816  0.0265 -4.8115 3 1683.8004145  58516 303723636      713635        C-13-H3C-13-H2C-13-N
  626719.1816  0.0265 -4.8115 3 1683.8004145  58516 303723637      713636        C-13-H3C-13-H2C-13-N
  626818.9615  0.0116 -5.5646 3  335.0955 97  58516 30348 444      48 147        C-13-H3C-13-H2C-13-N
  627129.9613  0.0370 -4.9273 3 1735.6812145  58516 303723735      713734        C-13-H3C-13-H2C-13-N
  627129.9613  0.0370 -4.9273 3 1735.6812145  58516 303723736      713735        C-13-H3C-13-H2C-13-N
  627131.1669  0.0035 -5.6198 3   72.6115 43  58516 30321 616      20 417        C-13-H3C-13-H2C-13-N
  627239.0662  0.0047 -4.5672 3  153.3439 67  58516 30333 430      32 131        C-13-H3C-13-H2C-13-N
  627263.1588  0.1223 -5.5004 3 1044.6323121  58516 303602733      612636        C-13-H3C-13-H2C-13-N
  627263.1588  0.1223 -5.5004 3 1044.6323121  58516 303602734      612635        C-13-H3C-13-H2C-13-N
  627265.4370  0.0300 -4.0556 3  776.2388147 -58516 30373 569      72 468        C-13-H3C-13-H2C-13-N
  627551.7264  0.0509 -5.0460 3 1788.8241145  58516 303723834      713833        C-13-H3C-13-H2C-13-N
  627551.7264  0.0509 -5.0460 3 1788.8241145  58516 303723835      713834        C-13-H3C-13-H2C-13-N
  627904.9530  0.0300 -2.8234 3  787.4889145 -58516 30372 864      71 863        C-13-H3C-13-H2C-13-N
  627934.4080  0.0300 -3.3585 3  198.5576 69 -58516 30334 827      33 726        C-13-H3C-13-H2C-13-N
  627938.9830  0.0300 -3.3585 3  198.5574 69 -58516 30334 826      33 727        C-13-H3C-13-H2C-13-N
  627984.1987  0.0692 -5.1677 3 1843.2178145  58516 303723933      713932        C-13-H3C-13-H2C-13-N
  627984.1987  0.0692 -5.1677 3 1843.2178145  58516 303723934      713933        C-13-H3C-13-H2C-13-N
  628047.8463  0.0039 -3.8649 3  798.8086153  58516 30376 175      75 274        C-13-H3C-13-H2C-13-N
  628048.0650  0.0500 -2.8192 3  798.8086153 -58516 30376 275      75 274        C-13-H3C-13-H2C-13-N
  628048.0650  0.0500 -2.8192 3  798.8086153 -58516 30376 175      75 174        C-13-H3C-13-H2C-13-N
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  628223.7680  0.0806 -5.3136 3  922.1226111  58516 303552630      562531        C-13-H3C-13-H2C-13-N
  628382.5410  0.0300 -3.7898 3  404.8158105 -58516 30352 647      51 546        C-13-H3C-13-H2C-13-N
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  628427.1172  0.0928 -5.2925 3 1898.8508145  58516 303724033      714032        C-13-H3C-13-H2C-13-N
  628622.2443  0.0046 -5.7487 3   70.7493 45  58516 30322 518      21 219        C-13-H3C-13-H2C-13-N
  628682.1226  0.0051 -5.3705 3  220.1058 77  58516 30338 633      38 336        C-13-H3C-13-H2C-13-N
  628697.0350  0.0300 -4.0852 3  797.1621149 -58516 30374 470      73 569        C-13-H3C-13-H2C-13-N
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  628880.2363  0.1229 -5.4202 3 1955.7116145  58516 303724132      714131        C-13-H3C-13-H2C-13-N
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  629135.2528  0.0509 -5.1565 3  808.2467101  58516 303502526      512427        C-13-H3C-13-H2C-13-N
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  629723.6020  0.0300 -2.8214 3  804.0461155 -58516 30377 177      76 176        C-13-H3C-13-H2C-13-N
  629723.6020  0.0300 -2.8214 3  804.0461155 -58516 30377 077      76 076        C-13-H3C-13-H2C-13-N
  629723.6024  0.0069 -3.8218 3  804.0461155  58516 30377 177      76 076        C-13-H3C-13-H2C-13-N
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  629816.1606  0.2085 -5.6848 3 2073.0694145  58516 303724330      714329        C-13-H3C-13-H2C-13-N
  629863.2780  0.0300 -3.8116 3  420.1380107 -58516 30353 648      52 547        C-13-H3C-13-H2C-13-N
  629937.9850  0.0300 -3.2906 3  164.9019 59 -58516 30329 921      28 820        C-13-H3C-13-H2C-13-N
  629937.9850  0.0300 -3.2906 3  164.9019 59 -58516 30329 920      28 821        C-13-H3C-13-H2C-13-N
  629988.5182  0.0303 -5.0333 3  703.0139 91  58516 303452421      462324        C-13-H3C-13-H2C-13-N
  629988.5182  0.0303 -5.0333 3  703.0139 91  58516 303452422      462323        C-13-H3C-13-H2C-13-N
  630239.7610  0.0052 -5.1878 3  328.0131 93  58516 30346 739      46 442        C-13-H3C-13-H2C-13-N
  630282.5290  0.0300 -3.1653 3  948.3287147 -58516 303731657      721656        C-13-H3C-13-H2C-13-N
  630282.5290  0.0300 -3.1653 3  948.3287147 -58516 303731658      721657        C-13-H3C-13-H2C-13-N
  630293.4460  0.0300 -3.2190 3  972.7733147 -58516 303731756      721755        C-13-H3C-13-H2C-13-N
  630293.4460  0.0300 -3.2190 3  972.7733147 -58516 303731757      721756        C-13-H3C-13-H2C-13-N
  630298.5376  0.2675 -5.8215 3 2133.5428145  58516 303724428      714427        C-13-H3C-13-H2C-13-N
  630298.5376  0.2675 -5.8215 3 2133.5428145  58516 303724429      714428        C-13-H3C-13-H2C-13-N
  630326.7960  0.0300 -3.1147 3  925.3645147 -58516 303731559      721558        C-13-H3C-13-H2C-13-N
  630326.7960  0.0300 -3.1147 3  925.3645147 -58516 303731558      721557        C-13-H3C-13-H2C-13-N
  630349.7590  0.0300 -3.2759 3  998.6860147 -58516 303731855      721854        C-13-H3C-13-H2C-13-N
  630349.7590  0.0300 -3.2759 3  998.6860147 -58516 303731856      721855        C-13-H3C-13-H2C-13-N
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  630440.0380  0.0300 -3.0674 3  903.8949147 -58516 303731459      721458        C-13-H3C-13-H2C-13-N
  630443.5554  0.0043 -3.8426 3  298.2154 91  58516 30345 540      44 441        C-13-H3C-13-H2C-13-N
  630444.3330  0.0300 -3.3360 3 1026.0559147 -58516 303731954      721953        C-13-H3C-13-H2C-13-N
  630444.3330  0.0300 -3.3360 3 1026.0559147 -58516 303731955      721954        C-13-H3C-13-H2C-13-N
  630571.8400  0.0300 -3.3993 3 1054.8725147 -58516 303732053      722052        C-13-H3C-13-H2C-13-N
  630571.8400  0.0300 -3.3993 3 1054.8725147 -58516 303732054      722053        C-13-H3C-13-H2C-13-N
  630642.2620  0.0300 -3.0233 3  883.9370147 -58516 303731361      721360        C-13-H3C-13-H2C-13-N
  630642.2620  0.0300 -3.0233 3  883.9370147 -58516 303731360      721359        C-13-H3C-13-H2C-13-N
  630728.1980  0.0300 -3.4658 3 1085.1260147 -58516 303732152      722151        C-13-H3C-13-H2C-13-N
  630728.1980  0.0300 -3.4658 3 1085.1260147 -58516 303732153      722152        C-13-H3C-13-H2C-13-N
  630774.3869  0.0167 -4.9510 3  606.4322 81  58516 303402317      412220        C-13-H3C-13-H2C-13-N
  630774.3869  0.0167 -4.9510 3  606.4322 81  58516 303402318      412219        C-13-H3C-13-H2C-13-N
  630910.2440  0.0300 -3.5353 3 1116.8066147 -58516 303732251      722250        C-13-H3C-13-H2C-13-N
  630910.2440  0.0300 -3.5353 3 1116.8066147 -58516 303732252      722251        C-13-H3C-13-H2C-13-N
  630964.0550  0.0500 -2.9824 3  865.5131147 -58516 303731262      721261        C-13-H3C-13-H2C-13-N
  630964.1841  0.0018 -2.9824 3  865.5132147  58516 303731261      721260        C-13-H3C-13-H2C-13-N
  631035.3840  0.0300 -3.8331 3  435.7588109 -58516 30354 649      53 548        C-13-H3C-13-H2C-13-N
  631115.4740  0.0300 -3.6080 3 1149.9047147 -58516 303732350      722349        C-13-H3C-13-H2C-13-N
  631115.4740  0.0300 -3.6080 3 1149.9047147 -58516 303732351      722350        C-13-H3C-13-H2C-13-N
  631158.4860  0.0300 -3.2445 3  139.9998 49 -58516 303241014      23 915        C-13-H3C-13-H2C-13-N
  631158.4860  0.0300 -3.2445 3  139.9998 49 -58516 303241015      23 914        C-13-H3C-13-H2C-13-N
  631341.8390  0.0500 -3.6839 3 1184.4109147 -58516 303732449      722448        C-13-H3C-13-H2C-13-N
  631341.8390  0.0500 -3.6839 3 1184.4109147 -58516 303732450      722449        C-13-H3C-13-H2C-13-N
  631432.8070  0.0300 -2.8246 3  797.1621149 -58516 30374 570      73 569        C-13-H3C-13-H2C-13-N
  631453.0030  0.0500 -2.9447 3  848.6541147 -58516 303731163      721162        C-13-H3C-13-H2C-13-N
  631456.9560  0.0500 -2.9447 3  848.6545147 -58516 303731162      721161        C-13-H3C-13-H2C-13-N
  631483.7037  0.0085 -4.9220 3  518.5085 71  58516 303352213      362116        C-13-H3C-13-H2C-13-N
  631483.7037  0.0085 -4.9220 3  518.5085 71  58516 303352214      362115        C-13-H3C-13-H2C-13-N
  631527.6540  0.0128 -5.7880 3  766.4234143  58516 30371 863      71 666        C-13-H3C-13-H2C-13-N
  631587.6900  0.0500 -3.7628 3 1220.3154147 -58516 303732548      722547        C-13-H3C-13-H2C-13-N
  631587.6900  0.0500 -3.7628 3 1220.3154147 -58516 303732549      722548        C-13-H3C-13-H2C-13-N
  631643.9010  0.0300 -3.4662 3  252.4000 81 -58516 30340 734      39 633        C-13-H3C-13-H2C-13-N
  631851.9450  0.0300 -3.8449 3 1257.6087147 -58516 303732647      722646        C-13-H3C-13-H2C-13-N
  631851.9450  0.0300 -3.8449 3 1257.6087147 -58516 303732648      722647        C-13-H3C-13-H2C-13-N
  631942.7450  0.0300 -3.8543 3  451.6762111 -58516 30355 650      54 549        C-13-H3C-13-H2C-13-N
  631964.7660  0.0300 -2.8237 3  797.0531149 -58516 30374 470      73 469        C-13-H3C-13-H2C-13-N
  632009.2140  0.0300 -3.2133 3  123.8041 39 -58516 3031911 8      1810 9        C-13-H3C-13-H2C-13-N
  632009.2140  0.0300 -3.2133 3  123.8041 39 -58516 3031911 9      1810 8        C-13-H3C-13-H2C-13-N
  632107.4563  0.0047 -4.9718 3  439.2490 61  58516 3033021 9      312012        C-13-H3C-13-H2C-13-N
  632107.4563  0.0047 -4.9718 3  439.2490 61  58516 303302110      312011        C-13-H3C-13-H2C-13-N
  632133.1450  0.0300 -3.9300 3 1296.2810147 -58516 303732746      722745        C-13-H3C-13-H2C-13-N
  632133.1450  0.0300 -3.9300 3 1296.2810147 -58516 303732747      722746        C-13-H3C-13-H2C-13-N
  632148.4888  0.0088 -5.6871 3  717.1598137  58516 30368 960      68 761        C-13-H3C-13-H2C-13-N
  632177.9860  0.0300 -2.9102 3  833.4051147 -58516 303731064      721063        C-13-H3C-13-H2C-13-N
  632228.6210  0.0300 -2.9102 3  833.4110147 -58516 303731063      721062        C-13-H3C-13-H2C-13-N
  632320.8285  0.0111 -4.9015 3  156.3298 69  58516 30334 232      33 133        C-13-H3C-13-H2C-13-N
  632430.4730  0.0300 -4.0183 3 1336.3224147 -58516 303732845      722844        C-13-H3C-13-H2C-13-N
  632430.4730  0.0300 -4.0183 3 1336.3224147 -58516 303732846      722845        C-13-H3C-13-H2C-13-N
  632440.6556  0.0111 -5.6076 3  156.3258 69  58516 30334 232      33 033        C-13-H3C-13-H2C-13-N
  632455.2600  0.0300 -3.4654 3  252.3749 81 -58516 30340 733      39 634        C-13-H3C-13-H2C-13-N
  632632.2813  0.0040 -3.8750 3  467.8881113  58516 30356 651      55 550        C-13-H3C-13-H2C-13-N
  632636.9143  0.0043 -5.1657 3  368.6585 51  58516 3032520 5      2619 8        C-13-H3C-13-H2C-13-N
  632636.9143  0.0043 -5.1657 3  368.6585 51  58516 3032520 6      2619 7        C-13-H3C-13-H2C-13-N
  632638.8850  0.0300 -3.1873 3  116.2957 29 -58516 3031412 2      1311 3        C-13-H3C-13-H2C-13-N
  632638.8850  0.0300 -3.1873 3  116.2957 29 -58516 3031412 3      1311 2        C-13-H3C-13-H2C-13-N
  632687.2028  0.0031 -5.1642 3  140.9531 63  58516 30331 527      30 328        C-13-H3C-13-H2C-13-N
  632739.0891  0.0024 -4.0003 3  805.9226151  58516 30375 372      74 471        C-13-H3C-13-H2C-13-N
  632743.1066  0.0040 -4.1096 3 1377.7227147  58516 303732944      722943        C-13-H3C-13-H2C-13-N
  632743.1066  0.0040 -4.1096 3 1377.7227147  58516 303732945      722944        C-13-H3C-13-H2C-13-N
  632909.3458  0.0104 -5.1341 3  676.1429135  58516 30367 760      67 463        C-13-H3C-13-H2C-13-N
  632911.7590  0.0300 -2.8345 3  805.9226151 -58516 30375 472      74 471        C-13-H3C-13-H2C-13-N
  632950.6290  0.0300 -2.8344 3  805.9156151 -58516 30375 372      74 371        C-13-H3C-13-H2C-13-N
  633044.2400  0.0300 -2.8057 3  786.1626147 -58516 30373 568      72 567        C-13-H3C-13-H2C-13-N
  633057.7020  0.0300 -2.8299 3  797.3140147 -58516 30373 767      72 766        C-13-H3C-13-H2C-13-N
  633063.7919  0.0047 -5.7884 3  306.7409 41  58516 3032019 1      2118 4        C-13-H3C-13-H2C-13-N
  633063.7919  0.0047 -5.7884 3  306.7409 41  58516 3032019 2      2118 3        C-13-H3C-13-H2C-13-N
  633070.3588  0.0047 -4.2039 3 1420.4720147  58516 303733043      723042        C-13-H3C-13-H2C-13-N
  633070.3588  0.0047 -4.2039 3 1420.4720147  58516 303733044      723043        C-13-H3C-13-H2C-13-N
  633123.3088  0.0024 -3.9998 3  805.9156151  58516 30375 472      74 371        C-13-H3C-13-H2C-13-N
  633153.2659  0.0041 -3.8952 3  484.3920115  58516 30357 652      56 551        C-13-H3C-13-H2C-13-N
  633153.6390  0.0300 -2.8790 3  819.8239147 -58516 30373 965      72 964        C-13-H3C-13-H2C-13-N
  633270.1734  0.0136 -5.8224 3 1718.2585209  58516 303A41589      A41490        C-13-H3C-13-H2C-13-N
  633285.8918  0.0136 -5.8224 3 1718.2580209  58516 303A41590      A41491        C-13-H3C-13-H2C-13-N
  633357.5555  0.0051 -5.3524 3  231.2484 79  58516 30339 634      39 337        C-13-H3C-13-H2C-13-N
  633361.2640  0.0300 -2.7962 3  778.7122145 -58516 30372 765      71 764        C-13-H3C-13-H2C-13-N
  633388.8259  0.0046 -5.6415 3   77.2421 47  58516 30323 519      22 220        C-13-H3C-13-H2C-13-N
  633411.6122  0.0058 -4.3013 3 1464.5597147  58516 303733142      723141        C-13-H3C-13-H2C-13-N
  633411.6122  0.0058 -4.3013 3 1464.5597147  58516 303733143      723142        C-13-H3C-13-H2C-13-N
  633547.1257  0.0028 -4.7684 3  247.1757 83  58516 30341 536      40 337        C-13-H3C-13-H2C-13-N
  633556.7108  0.0042 -3.9147 3  501.1854117  58516 30358 653      57 552        C-13-H3C-13-H2C-13-N
  633626.0170  0.0300 -2.7818 3  772.3364145 -58516 30372 666      71 665        C-13-H3C-13-H2C-13-N
  633634.9930  0.0500 -2.8785 3  819.8897147 -58516 30373 964      72 963        C-13-H3C-13-H2C-13-N
  633647.8500  0.0300 -3.6285 3  305.2786 91 -58516 30345 639      44 540        C-13-H3C-13-H2C-13-N
  633766.3268  0.0076 -4.4017 3 1509.9756147  58516 303733241      723240        C-13-H3C-13-H2C-13-N
  633766.3268  0.0076 -4.4017 3 1509.9756147  58516 303733242      723241        C-13-H3C-13-H2C-13-N
  633876.8264  0.0131 -5.7647 3 1688.4052207  58516 303A31588      A31489        C-13-H3C-13-H2C-13-N
  633888.2843  0.0058 -4.1281 3  254.3589 85  58516 30342 438      41 339        C-13-H3C-13-H2C-13-N
  633889.2203  0.0131 -5.7646 3 1688.4048207  58516 303A31589      A31490        C-13-H3C-13-H2C-13-N
  633894.8884  0.0042 -3.9336 3  518.2660119  58516 30359 654      58 553        C-13-H3C-13-H2C-13-N
  633927.0540  0.0300 -2.8518 3  807.9070147 -58516 30373 866      72 865        C-13-H3C-13-H2C-13-N
  634093.3437  0.0473 -5.4699 3 1296.9939187  58516 30393 885      92 984        C-13-H3C-13-H2C-13-N
  634134.0212  0.0104 -4.5052 3 1556.7089147  58516 303733340      723339        C-13-H3C-13-H2C-13-N
  634134.0212  0.0104 -4.5052 3 1556.7089147  58516 303733341      723340        C-13-H3C-13-H2C-13-N
  634220.8830  0.0043 -3.9519 3  535.6310121  58516 30360 655      59 554        C-13-H3C-13-H2C-13-N
  634456.1235  0.0029 -3.9401 3  813.4138153  58516 30376 274      75 373        C-13-H3C-13-H2C-13-N
  634459.5751  0.0127 -5.7076 3 1658.8350205  58516 303A21587      A21488        C-13-H3C-13-H2C-13-N
  634462.8130  0.0500 -2.8417 3  813.4138153 -58516 30376 374      75 373        C-13-H3C-13-H2C-13-N
  634464.5560  0.0500 -2.8417 3  813.4135153 -58516 30376 274      75 273        C-13-H3C-13-H2C-13-N
  634469.3166  0.0126 -5.7075 3 1658.8347205  58516 303A21588      A21489        C-13-H3C-13-H2C-13-N
  634471.2430  0.0300 -3.9401 3  813.4135153 -58516 30376 374      75 273        C-13-H3C-13-H2C-13-N
  634514.2623  0.0145 -4.6117 3 1604.7489147  58516 303733439      723438        C-13-H3C-13-H2C-13-N
  634514.2623  0.0145 -4.6117 3 1604.7489147  58516 303733440      723439        C-13-H3C-13-H2C-13-N
  634573.9141  0.1792 -5.6793 3 1156.6812129  58516 303642836      652739        C-13-H3C-13-H2C-13-N
  634573.9141  0.1792 -5.6793 3 1156.6812129  58516 303642837      652738        C-13-H3C-13-H2C-13-N
  634588.1118  0.0043 -3.9697 3  553.2779123  58516 30361 656      60 555        C-13-H3C-13-H2C-13-N
  634700.5011  0.0022 -4.0766 3  797.0531149  58516 30374 570      73 469        C-13-H3C-13-H2C-13-N
  634879.2182  0.0034 -5.5667 3   78.7095 45  58516 30322 616      21 417        C-13-H3C-13-H2C-13-N
  634906.6573  0.0203 -4.7211 3 1654.0848147  58516 303733538      723537        C-13-H3C-13-H2C-13-N
  634906.6573  0.0203 -4.7211 3 1654.0848147  58516 303733539      723538        C-13-H3C-13-H2C-13-N
  635019.1440  0.0123 -5.6511 3 1629.5480203  58516 303A11586      A11487        C-13-H3C-13-H2C-13-N
  635026.7762  0.0123 -5.6511 3 1629.5478203  58516 303A11587      A11488        C-13-H3C-13-H2C-13-N
  635049.7210  0.0300 -3.9869 3  571.2040125 -58516 30362 657      61 556        C-13-H3C-13-H2C-13-N
  635310.8466  0.0284 -4.8336 3 1704.7055147  58516 303733637      723636        C-13-H3C-13-H2C-13-N
  635310.8466  0.0284 -4.8336 3 1704.7055147  58516 303733638      723637        C-13-H3C-13-H2C-13-N
  635499.3049  0.0034 -5.5663 3   78.6888 45  58516 30322 617      21 418        C-13-H3C-13-H2C-13-N
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  635562.1849  0.0119 -5.5953 3 1600.5442201  58516 303A01586      A01487        C-13-H3C-13-H2C-13-N
  635618.3729  0.1223 -5.4708 3 1026.9890119  58516 303592732      602635        C-13-H3C-13-H2C-13-N
  635618.3729  0.1223 -5.4708 3 1026.9890119  58516 303592733      602634        C-13-H3C-13-H2C-13-N
  635658.0410  0.0300 -4.0037 3  589.4066127 -58516 30363 658      62 557        C-13-H3C-13-H2C-13-N
  635726.4993  0.0393 -4.9491 3 1756.6000147  58516 303733736      723735        C-13-H3C-13-H2C-13-N
  635726.4993  0.0393 -4.9491 3 1756.6000147  58516 303733737      723736        C-13-H3C-13-H2C-13-N
  635993.3105  0.0076 -4.4562 3  202.7522 77  58516 30338 335      37 236        C-13-H3C-13-H2C-13-N
  636071.4794  0.0116 -5.5402 3 1571.8243199  58516 303991584      991485        C-13-H3C-13-H2C-13-N
  636076.1183  0.0116 -5.5402 3 1571.8241199  58516 303991585      991486        C-13-H3C-13-H2C-13-N
  636106.6775  0.0040 -3.8912 3  819.7580155  58516 30377 176      76 275        C-13-H3C-13-H2C-13-N
  636106.8500  0.0300 -2.8463 3  819.7580155 -58516 30377 276      76 275        C-13-H3C-13-H2C-13-N
  636106.8500  0.0300 -2.8463 3  819.7580155 -58516 30377 176      76 175        C-13-H3C-13-H2C-13-N
  636107.0191  0.0040 -3.8912 3  819.7580155  58516 30377 276      76 175        C-13-H3C-13-H2C-13-N
  636128.0934  0.0074 -5.5066 3  258.8364 85  58516 30342 538      42 241        C-13-H3C-13-H2C-13-N
  636153.3084  0.0536 -5.0675 3 1809.7570147  58516 303733835      723834        C-13-H3C-13-H2C-13-N
  636153.3084  0.0536 -5.0675 3 1809.7570147  58516 303733836      723835        C-13-H3C-13-H2C-13-N
  636159.3740  0.0105 -5.3317 3  446.6681111  58516 30355 550      55 253        C-13-H3C-13-H2C-13-N
  636417.2810  0.0300 -3.3615 3  208.3880 71 -58516 30335 828      34 727        C-13-H3C-13-H2C-13-N
  636424.2860  0.0300 -3.3615 3  208.3878 71 -58516 30335 827      34 728        C-13-H3C-13-H2C-13-N
  636463.4010  0.0300 -4.0202 3  607.8834129 -58516 30364 659      63 558        C-13-H3C-13-H2C-13-N
  636565.5428  0.0113 -5.4858 3 1543.3877197  58516 303981583      981484        C-13-H3C-13-H2C-13-N
  636569.1411  0.0113 -5.4858 3 1543.3875197  58516 303981584      981485        C-13-H3C-13-H2C-13-N
  636590.9875  0.0724 -5.1890 3 1864.1651147  58516 303733934      723933        C-13-H3C-13-H2C-13-N
  636590.9875  0.0724 -5.1890 3 1864.1651147  58516 303733935      723934        C-13-H3C-13-H2C-13-N
  636619.8767  0.0806 -5.2897 3  905.9222109  58516 303542628      552531        C-13-H3C-13-H2C-13-N
  636619.8767  0.0806 -5.2897 3  905.9222109  58516 303542629      552530        C-13-H3C-13-H2C-13-N
  636970.9590  0.0300 -2.8488 3  808.4335147 -58516 30373 865      72 864        C-13-H3C-13-H2C-13-N
  637039.0254  0.0109 -5.4320 3 1515.2347195  58516 303971582      971483        C-13-H3C-13-H2C-13-N
  637039.2684  0.0966 -5.3134 3 1919.8129147  58516 303734033      724032        C-13-H3C-13-H2C-13-N
  637039.2684  0.0966 -5.3134 3 1919.8129147  58516 303734034      724033        C-13-H3C-13-H2C-13-N
  637041.8071  0.0109 -5.4320 3 1515.2346195  58516 303971583      971484        C-13-H3C-13-H2C-13-N
  637132.9840  0.0300 -4.2867 3  850.9319153 -58516 30376 571      75 670        C-13-H3C-13-H2C-13-N
  637202.9080  0.0300 -4.1057 3  818.2244151 -58516 30375 471      74 570        C-13-H3C-13-H2C-13-N
  637286.6238  0.0271 -5.0142 3 1105.0637173  58516 30386 779      85 878        C-13-H3C-13-H2C-13-N
  637471.6400  0.0300 -2.8399 3  808.1324149 -58516 30374 669      73 668        C-13-H3C-13-H2C-13-N
  637474.4056  0.0052 -5.2212 3  314.4482 91  58516 30345 738      45 441        C-13-H3C-13-H2C-13-N
  637475.3796  0.0074 -5.1577 3  202.7027 77  58516 30338 335      37 136        C-13-H3C-13-H2C-13-N
  637492.5155  0.0106 -5.3789 3 1487.3655193  58516 303961581      961482        C-13-H3C-13-H2C-13-N
  637494.6584  0.0106 -5.3789 3 1487.3654193  58516 303961582      961483        C-13-H3C-13-H2C-13-N
  637497.8986  0.1274 -5.4408 3 1976.6888147  58516 303734132      724131        C-13-H3C-13-H2C-13-N
  637497.8986  0.1274 -5.4408 3 1976.6888147  58516 303734133      724132        C-13-H3C-13-H2C-13-N
  637513.4470  0.0300 -4.0364 3  626.6317131 -58516 30365 660      64 559        C-13-H3C-13-H2C-13-N
  637569.4547  0.0509 -5.1392 3  793.4906 99  58516 303492524      502427        C-13-H3C-13-H2C-13-N
  637569.4547  0.0509 -5.1392 3  793.4906 99  58516 303492525      502426        C-13-H3C-13-H2C-13-N
  637784.0152  0.0071 -3.8489 3  825.0514157  58516 30378 078      77 177        C-13-H3C-13-H2C-13-N
  637784.0220  0.0300 -2.8487 3  825.0514157 -58516 30378 178      77 177        C-13-H3C-13-H2C-13-N
  637784.0220  0.0300 -2.8487 3  825.0514157 -58516 30378 078      77 077        C-13-H3C-13-H2C-13-N
  637784.0186  0.0071 -3.8489 3  825.0514157  58516 30378 178      77 077        C-13-H3C-13-H2C-13-N
  637909.4295  0.0123 -4.6062 3  950.9924161  58516 30380 674      79 773        C-13-H3C-13-H2C-13-N
  637926.5808  0.0102 -5.3264 3 1459.7802191  58516 303951580      951481        C-13-H3C-13-H2C-13-N
  637928.2258  0.0102 -5.3264 3 1459.7801191  58516 303951581      951482        C-13-H3C-13-H2C-13-N
  637966.6397  0.1663 -5.5711 3 2034.7810147  58516 303734231      724230        C-13-H3C-13-H2C-13-N
  637966.6397  0.1663 -5.5711 3 2034.7810147  58516 303734232      724231        C-13-H3C-13-H2C-13-N
  638104.5598  0.0045 -5.5376 3   84.0271 49  58516 30324 520      23 221        C-13-H3C-13-H2C-13-N
  638325.9500  0.0142 -5.8277 3  787.1412145  58516 30372 864      72 667        C-13-H3C-13-H2C-13-N
  638341.7705  0.0099 -5.2746 3 1432.4788189  58516 303941579      941480        C-13-H3C-13-H2C-13-N
  638343.0287  0.0099 -5.2746 3 1432.4788189  58516 303941580      941481        C-13-H3C-13-H2C-13-N
  638445.2658  0.2148 -5.7045 3 2094.0778147  58516 303734330      724329        C-13-H3C-13-H2C-13-N
  638445.2658  0.2148 -5.7045 3 2094.0778147  58516 303734331      724330        C-13-H3C-13-H2C-13-N
  638457.9799  0.0303 -5.0241 3  689.7032 89  58516 303442420      452323        C-13-H3C-13-H2C-13-N
  638457.9799  0.0303 -5.0241 3  689.7032 89  58516 303442421      452322        C-13-H3C-13-H2C-13-N
  638523.8095  0.0052 -5.3376 3  242.6663 81  58516 30340 635      40 338        C-13-H3C-13-H2C-13-N
  638545.5950  0.0300 -3.2897 3  173.2787 61 -58516 30330 922      29 821        C-13-H3C-13-H2C-13-N
  638545.5950  0.0300 -3.2897 3  173.2787 61 -58516 30330 921      29 822        C-13-H3C-13-H2C-13-N
  638738.6162  0.0095 -5.2235 3 1405.4616187  58516 303931578      931479        C-13-H3C-13-H2C-13-N
  638739.5750  0.0095 -5.2235 3 1405.4615187  58516 303931579      931480        C-13-H3C-13-H2C-13-N
  638841.3730  0.0300 -3.1912 3  969.3527149 -58516 303741658      731657        C-13-H3C-13-H2C-13-N
  638841.3730  0.0300 -3.1912 3  969.3527149 -58516 303741659      731658        C-13-H3C-13-H2C-13-N
  638847.0520  0.0300 -3.2448 3  993.7976149 -58516 303741757      731756        C-13-H3C-13-H2C-13-N
  638847.0520  0.0300 -3.2448 3  993.7976149 -58516 303741758      731757        C-13-H3C-13-H2C-13-N
  638851.6886  0.0043 -4.0526 3  645.6493133  58516 30366 661      65 560        C-13-H3C-13-H2C-13-N
  638892.8160  0.0300 -3.1407 3  946.3900149 -58516 303741560      731559        C-13-H3C-13-H2C-13-N
  638892.8160  0.0300 -3.1407 3  946.3900149 -58516 303741559      731558        C-13-H3C-13-H2C-13-N
  638899.6670  0.0300 -3.3017 3 1019.7122149 -58516 303741856      731855        C-13-H3C-13-H2C-13-N
  638899.6670  0.0300 -3.3017 3 1019.7122149 -58516 303741857      731856        C-13-H3C-13-H2C-13-N
  638931.8795  0.0094 -5.5998 3  147.2317 67  58516 30333 331      32 132        C-13-H3C-13-H2C-13-N
  638991.7800  0.0300 -3.3617 3 1047.0853149 -58516 303741955      731954        C-13-H3C-13-H2C-13-N
  638991.7800  0.0300 -3.3617 3 1047.0853149 -58516 303741956      731955        C-13-H3C-13-H2C-13-N
  639015.7830  0.0300 -3.0934 3  924.9241149 -58516 303741461      731460        C-13-H3C-13-H2C-13-N
  639015.7830  0.0300 -3.0934 3  924.9241149 -58516 303741460      731459        C-13-H3C-13-H2C-13-N
  639083.9952  0.0093 -4.8969 3  147.2266 67  58516 30333 331      32 032        C-13-H3C-13-H2C-13-N
  639117.6338  0.0091 -5.1730 3 1378.7285185  58516 303921577      921478        C-13-H3C-13-H2C-13-N
  639117.7880  0.0300 -3.4249 3 1075.9061149 -58516 303742054      732053        C-13-H3C-13-H2C-13-N
  639117.7880  0.0300 -3.4249 3 1075.9061149 -58516 303742055      732054        C-13-H3C-13-H2C-13-N
  639118.3617  0.0091 -5.1730 3 1378.7284185  58516 303921578      921479        C-13-H3C-13-H2C-13-N
  639231.2580  0.0300 -3.0494 3  904.9730149 -58516 303741362      731361        C-13-H3C-13-H2C-13-N
  639231.2580  0.0300 -3.0494 3  904.9730149 -58516 303741361      731360        C-13-H3C-13-H2C-13-N
  639232.9102  0.0080 -5.6588 3  697.2545135  58516 30367 959      67 760        C-13-H3C-13-H2C-13-N
  639273.4740  0.0300 -3.4912 3 1106.1648149 -58516 303742153      732152        C-13-H3C-13-H2C-13-N
  639273.4740  0.0300 -3.4912 3 1106.1648149 -58516 303742154      732153        C-13-H3C-13-H2C-13-N
  639276.2631  0.0168 -4.9524 3  594.5676 79  58516 303392316      402219        C-13-H3C-13-H2C-13-N
  639276.2631  0.0168 -4.9524 3  594.5676 79  58516 303392317      402218        C-13-H3C-13-H2C-13-N
  639281.5357  0.0051 -5.2084 3  162.7866 69  58516 30334 431      33 232        C-13-H3C-13-H2C-13-N
  639455.5520  0.0300 -3.5607 3 1137.8515149 -58516 303742252      732251        C-13-H3C-13-H2C-13-N
  639455.5520  0.0300 -3.5607 3 1137.8515149 -58516 303742253      732252        C-13-H3C-13-H2C-13-N
  639479.3241  0.0087 -5.1232 3 1352.2796183  58516 303911576      911477        C-13-H3C-13-H2C-13-N
  639479.8747  0.0087 -5.1232 3 1352.2796183  58516 303911577      911478        C-13-H3C-13-H2C-13-N
  639489.4920  0.0300 -2.8519 3  818.2244151 -58516 30375 571      74 570        C-13-H3C-13-H2C-13-N
  639571.2416  0.0019 -3.0085 3  886.5598149  58516 303741263      731262        C-13-H3C-13-H2C-13-N
  639571.5785  0.0019 -3.0085 3  886.5599149  58516 303741262      731261        C-13-H3C-13-H2C-13-N
  639614.9738  0.0017 -3.4754 3  263.9985 83  58516 30341 735      40 634        C-13-H3C-13-H2C-13-N
  639661.4220  0.0300 -3.6333 3 1170.9564149 -58516 303742351      732350        C-13-H3C-13-H2C-13-N
  639661.4220  0.0300 -3.6333 3 1170.9564149 -58516 303742352      732351        C-13-H3C-13-H2C-13-N
  639816.7620  0.0300 -3.2404 3  146.9299 51 -58516 303251015      24 916        C-13-H3C-13-H2C-13-N
  639816.7620  0.0300 -3.2404 3  146.9299 51 -58516 303251016      24 915        C-13-H3C-13-H2C-13-N
  639824.1743  0.0083 -5.0741 3 1326.1152181  58516 303901575      901476        C-13-H3C-13-H2C-13-N
  639824.5891  0.0083 -5.0741 3 1326.1152181  58516 303901576      901477        C-13-H3C-13-H2C-13-N
  639888.9270  0.0300 -3.7090 3 1205.4702149 -58516 303742450      732449        C-13-H3C-13-H2C-13-N
  639888.9270  0.0300 -3.7090 3 1205.4702149 -58516 303742451      732450        C-13-H3C-13-H2C-13-N
  639938.6190  0.0300 -2.8511 3  818.1332151 -58516 30375 471      74 470        C-13-H3C-13-H2C-13-N
  640015.1593  0.0086 -4.9388 3  508.0909 69  58516 303342212      352115        C-13-H3C-13-H2C-13-N
  640015.1593  0.0086 -4.9388 3  508.0909 69  58516 303342213      352114        C-13-H3C-13-H2C-13-N
  640086.0170  0.0300 -2.9709 3  869.7171149 -58516 303741164      731163        C-13-H3C-13-H2C-13-N
  640091.2340  0.0300 -2.9709 3  869.7176149 -58516 303741163      731162        C-13-H3C-13-H2C-13-N
  640136.4840  0.0300 -3.7879 3 1241.3829149 -58516 303742549      732548        C-13-H3C-13-H2C-13-N
  640136.4840  0.0300 -3.7879 3 1241.3829149 -58516 303742550      732549        C-13-H3C-13-H2C-13-N
  640152.6585  0.0079 -5.0256 3 1300.2352179  58516 303891574      891475        C-13-H3C-13-H2C-13-N
  640152.9699  0.0079 -5.0256 3 1300.2352179  58516 303891575      891476        C-13-H3C-13-H2C-13-N
  640402.6670  0.0500 -3.8698 3 1278.6851149 -58516 303742648      732647        C-13-H3C-13-H2C-13-N
  640402.6670  0.0500 -3.8698 3 1278.6851149 -58516 303742649      732648        C-13-H3C-13-H2C-13-N
  640465.2389  0.0076 -4.9778 3 1274.6399177  58516 303881573      881474        C-13-H3C-13-H2C-13-N
  640465.4716  0.0076 -4.9778 3 1274.6398177  58516 303881574      881475        C-13-H3C-13-H2C-13-N
  640516.6101  0.0043 -4.0688 3  664.9339135  58516 30367 662      66 561        C-13-H3C-13-H2C-13-N
  640665.6898  0.0049 -5.0146 3  430.2787 59  58516 3032921 8      302011        C-13-H3C-13-H2C-13-N
  640665.6898  0.0049 -5.0146 3  430.2787 59  58516 3032921 9      302010        C-13-H3C-13-H2C-13-N
  640686.2797  0.0036 -3.9548 3 1317.3667149  58516 303742747      732746        C-13-H3C-13-H2C-13-N
  640686.2797  0.0036 -3.9548 3 1317.3667149  58516 303742748      732747        C-13-H3C-13-H2C-13-N
  640687.0314  0.0020 -3.2071 3  129.2903 41  58516 3032011 9      191010        C-13-H3C-13-H2C-13-N
  640687.0314  0.0020 -3.2071 3  129.2903 41  58516 303201110      1910 9        C-13-H3C-13-H2C-13-N
  640699.3100  0.0500 -3.4742 3  263.9651 83 -58516 30341 734      40 635        C-13-H3C-13-H2C-13-N
  640762.3660  0.0072 -4.9307 3 1249.3291175  58516 303871572      871473        C-13-H3C-13-H2C-13-N
  640762.5393  0.0072 -4.9307 3 1249.3291175  58516 303871573      871474        C-13-H3C-13-H2C-13-N
  640817.5582  0.0025 -4.0245 3  827.0343153  58516 30376 373      75 472        C-13-H3C-13-H2C-13-N
  640822.8830  0.0300 -2.8334 3  807.2786149 -58516 30374 569      73 568        C-13-H3C-13-H2C-13-N
  640845.2580  0.0300 -2.9365 3  854.4923149 -58516 303741065      731064        C-13-H3C-13-H2C-13-N
  640909.1040  0.0300 -2.9364 3  854.4998149 -58516 303741064      731063        C-13-H3C-13-H2C-13-N
  640958.3930  0.0300 -2.8620 3  827.0343153 -58516 30376 473      75 472        C-13-H3C-13-H2C-13-N
  640986.3650  0.0300 -4.0429 3 1357.4180149 -58516 303742846      732845        C-13-H3C-13-H2C-13-N
  640986.3650  0.0300 -4.0429 3 1357.4180149 -58516 303742847      732846        C-13-H3C-13-H2C-13-N
  640990.2310  0.0300 -2.8619 3  827.0285153 -58516 30376 373      75 372        C-13-H3C-13-H2C-13-N
  641044.4799  0.0068 -4.8843 3 1224.3032173  58516 303861571      861472        C-13-H3C-13-H2C-13-N
  641044.6083  0.0068 -4.8843 3 1224.3032173  58516 303861572      861473        C-13-H3C-13-H2C-13-N
  641130.9420  0.0500 -4.0241 3  827.0285153 -58516 30376 473      75 372        C-13-H3C-13-H2C-13-N
  641183.0412  0.0029 -4.7484 3  259.1970 85  58516 30342 537      41 338        C-13-H3C-13-H2C-13-N
  641219.1835  0.0045 -5.2677 3  361.1357 49  58516 3032420 4      2519 7        C-13-H3C-13-H2C-13-N
  641219.1835  0.0045 -5.2677 3  361.1357 49  58516 3032420 5      2519 6        C-13-H3C-13-H2C-13-N
  641302.0226  0.0043 -4.1341 3 1398.8288149  58516 303742945      732944        C-13-H3C-13-H2C-13-N
  641302.0226  0.0043 -4.1341 3 1398.8288149  58516 303742946      732945        C-13-H3C-13-H2C-13-N
  641312.0102  0.0065 -4.8385 3 1199.5622171  58516 303851570      851471        C-13-H3C-13-H2C-13-N
  641312.1050  0.0065 -4.8385 3 1199.5622171  58516 303851571      851472        C-13-H3C-13-H2C-13-N
  641321.7900  0.0300 -3.1812 3  120.3388 31 -58516 3031512 3      1411 4        C-13-H3C-13-H2C-13-N
  641321.7900  0.0300 -3.1812 3  120.3388 31 -58516 3031512 4      1411 3        C-13-H3C-13-H2C-13-N
  641471.6280  0.0300 -2.8567 3  818.4306149 -58516 30374 768      73 767        C-13-H3C-13-H2C-13-N
  641565.3772  0.0062 -4.7934 3 1175.1061169  58516 303841569      841470        C-13-H3C-13-H2C-13-N
  641565.4469  0.0062 -4.7934 3 1175.1061169  58516 303841570      841471        C-13-H3C-13-H2C-13-N
  641632.7270  0.0500 -4.2283 3 1441.5889149 -58516 303743044      733043        C-13-H3C-13-H2C-13-N
  641632.7270  0.0500 -4.2283 3 1441.5889149 -58516 303743045      733044        C-13-H3C-13-H2C-13-N
  641804.9918  0.0059 -4.7490 3 1150.9351167  58516 303831568      831469        C-13-H3C-13-H2C-13-N
  641805.0428  0.0059 -4.7490 3 1150.9351167  58516 303831569      831470        C-13-H3C-13-H2C-13-N
  641845.8610  0.0500 -2.9054 3  840.9437149 -58516 30374 966      73 965        C-13-H3C-13-H2C-13-N
  641887.9830  0.0300 -2.8088 3  793.4719147 -58516 30373 667      72 666        C-13-H3C-13-H2C-13-N
  641977.4300  0.0300 -4.3255 3 1485.6881149 -58516 303743143      733142        C-13-H3C-13-H2C-13-N
  641977.4300  0.0300 -4.3255 3 1485.6881149 -58516 303743144      733143        C-13-H3C-13-H2C-13-N
  642031.2564  0.0056 -4.7052 3 1127.0492165  58516 303821567      821468        C-13-H3C-13-H2C-13-N
  642031.2935  0.0056 -4.7052 3 1127.0492165  58516 303821568      821469        C-13-H3C-13-H2C-13-N
  642225.2238  0.0023 -4.0987 3  818.1332151  58516 30375 571      74 470        C-13-H3C-13-H2C-13-N
  642244.5649  0.0053 -4.6622 3 1103.4487163  58516 303811566      811467        C-13-H3C-13-H2C-13-N
  642244.5918  0.0053 -4.6622 3 1103.4487163  58516 303811567      811468        C-13-H3C-13-H2C-13-N
  642335.9817  0.0083 -4.4257 3 1531.1157149  58516 303743242      733241        C-13-H3C-13-H2C-13-N
  642335.9817  0.0083 -4.4257 3 1531.1157149  58516 303743243      733242        C-13-H3C-13-H2C-13-N
  642424.8500  0.0300 -2.8221 3  799.8389147 -58516 30373 766      72 765        C-13-H3C-13-H2C-13-N
  642430.9250  0.0300 -2.9048 3  841.0254149 -58516 30374 965      73 964        C-13-H3C-13-H2C-13-N
  642445.3034  0.0051 -4.6198 3 1080.1334161  58516 303801565      801466        C-13-H3C-13-H2C-13-N
  642445.3229  0.0051 -4.6198 3 1080.1334161  58516 303801566      801467        C-13-H3C-13-H2C-13-N
  642509.9720  0.0300 -3.9660 3  834.5772155 -58516 30377 275      76 374        C-13-H3C-13-H2C-13-N
  642515.3010  0.0300 -2.8694 3  834.5772155 -58516 30377 375      76 374        C-13-H3C-13-H2C-13-N
  642516.7660  0.0500 -2.8694 3  834.5769155 -58516 30377 275      76 274        C-13-H3C-13-H2C-13-N
  642522.0560  0.0300 -3.9660 3  834.5769155 -58516 30377 375      76 274        C-13-H3C-13-H2C-13-N
  642540.3543  0.0044 -4.0853 3  684.4838137  58516 30368 663      67 562        C-13-H3C-13-H2C-13-N
  642557.0300  0.0300 -2.8784 3  829.0526149 -58516 30374 867      73 866        C-13-H3C-13-H2C-13-N
  642572.1382  0.0030 -4.3800 3  180.2358 31  58516 3031515 0      1514 1        C-13-H3C-13-H2C-13-N
  642572.1382  0.0030 -4.3800 3  180.2358 31  58516 3031515 1      1514 2        C-13-H3C-13-H2C-13-N
  642593.5874  0.0048 -4.5514 3  162.6761 69  58516 30334 431      33 132        C-13-H3C-13-H2C-13-N
  642610.5020  0.0300 -4.1013 3  184.8595 33 -58516 3031615 1      1614 2        C-13-H3C-13-H2C-13-N
  642610.5020  0.0300 -4.1013 3  184.8595 33 -58516 3031615 2      1614 3        C-13-H3C-13-H2C-13-N
  642633.8505  0.0048 -4.5781 3 1057.1036159  58516 303791564      791465        C-13-H3C-13-H2C-13-N
  642633.8644  0.0048 -4.5781 3 1057.1036159  58516 303791565      791466        C-13-H3C-13-H2C-13-N
  642650.9280  0.0300 -3.9470 3  189.7721 35 -58516 3031715 2      1714 3        C-13-H3C-13-H2C-13-N
  642650.9280  0.0300 -3.9470 3  189.7721 35 -58516 3031715 3      1714 4        C-13-H3C-13-H2C-13-N
  642693.2000  0.0300 -3.8435 3  194.9735 37 -58516 3031815 3      1814 4        C-13-H3C-13-H2C-13-N
  642693.2000  0.0300 -3.8435 3  194.9735 37 -58516 3031815 4      1814 5        C-13-H3C-13-H2C-13-N
  642707.7323  0.0114 -4.5290 3 1577.8613149  58516 303743341      733340        C-13-H3C-13-H2C-13-N
  642707.7323  0.0114 -4.5290 3 1577.8613149  58516 303743342      733341        C-13-H3C-13-H2C-13-N
  642737.1930  0.0300 -3.7677 3  200.4638 39 -58516 3031915 4      1914 5        C-13-H3C-13-H2C-13-N
  642737.1930  0.0300 -3.7677 3  200.4638 39 -58516 3031915 5      1914 6        C-13-H3C-13-H2C-13-N
  642782.8720  0.0300 -3.7094 3  206.2429 41 -58516 3032015 5      2014 6        C-13-H3C-13-H2C-13-N
  642782.8720  0.0300 -3.7094 3  206.2429 41 -58516 3032015 6      2014 7        C-13-H3C-13-H2C-13-N
  642810.5773  0.0046 -4.5371 3 1034.3594157  58516 303781563      781464        C-13-H3C-13-H2C-13-N
  642810.5872  0.0046 -4.5371 3 1034.3594157  58516 303781564      781465        C-13-H3C-13-H2C-13-N
  642823.3456  0.0044 -5.4370 3   91.1028 51  58516 30325 521      24 222        C-13-H3C-13-H2C-13-N
  642830.0620  0.0300 -3.6633 3  212.3109 43 -58516 3032115 6      2114 7        C-13-H3C-13-H2C-13-N
  642830.0620  0.0300 -3.6633 3  212.3109 43 -58516 3032115 7      2114 8        C-13-H3C-13-H2C-13-N
  642878.7890  0.0300 -3.6261 3  218.6676 45 -58516 3032215 7      2214 8        C-13-H3C-13-H2C-13-N
  642878.7890  0.0300 -3.6261 3  218.6676 45 -58516 3032215 8      2214 9        C-13-H3C-13-H2C-13-N
  642892.4161  0.1792 -5.6458 3 1137.8828127  58516 303632835      642738        C-13-H3C-13-H2C-13-N
  642892.4161  0.1792 -5.6458 3 1137.8828127  58516 303632836      642737        C-13-H3C-13-H2C-13-N
  642928.8740  0.0024 -3.5958 3  225.3131 47  58516 3032315 8      2314 9        C-13-H3C-13-H2C-13-N
  642928.8740  0.0024 -3.5958 3  225.3131 47  58516 3032315 9      231410        C-13-H3C-13-H2C-13-N
  642950.6984  0.0033 -5.5165 3   85.0864 47  58516 30323 617      22 418        C-13-H3C-13-H2C-13-N
  642975.8479  0.0044 -4.4968 3 1011.9007155  58516 303771562      771463        C-13-H3C-13-H2C-13-N
  642975.8550  0.0044 -4.4968 3 1011.9007155  58516 303771563      771464        C-13-H3C-13-H2C-13-N
  642980.1880  0.0300 -3.5710 3  232.2473 49 -58516 3032415 9      241410        C-13-H3C-13-H2C-13-N
  642980.1880  0.0300 -3.5710 3  232.2473 49 -58516 303241510      241411        C-13-H3C-13-H2C-13-N
  643032.6410  0.0300 -3.5507 3  239.4702 51 -58516 303251510      251411        C-13-H3C-13-H2C-13-N
  643032.6410  0.0300 -3.5507 3  239.4702 51 -58516 303251511      251412        C-13-H3C-13-H2C-13-N
  643037.5829  0.0053 -4.8490 3  254.0538 85  58516 30342 438      41 239        C-13-H3C-13-H2C-13-N
  643086.1540  0.0300 -3.5342 3  246.9819 53 -58516 303261511      261412        C-13-H3C-13-H2C-13-N
  643086.1540  0.0300 -3.5342 3  246.9819 53 -58516 303261512      261413        C-13-H3C-13-H2C-13-N
  643092.2432  0.0158 -4.6352 3 1625.9140149  58516 303743440      733439        C-13-H3C-13-H2C-13-N
  643092.2432  0.0158 -4.6352 3 1625.9140149  58516 303743441      733440        C-13-H3C-13-H2C-13-N
  643130.0050  0.0300 -4.4572 3  989.7278153 -58516 303761561      761462        C-13-H3C-13-H2C-13-N
  643130.0050  0.0300 -4.4572 3  989.7278153 -58516 303761562      761463        C-13-H3C-13-H2C-13-N
  643140.4510  0.0300 -3.5210 3  254.7821 55 -58516 303271512      271413        C-13-H3C-13-H2C-13-N
  643140.4510  0.0300 -3.5210 3  254.7821 55 -58516 303271513      271414        C-13-H3C-13-H2C-13-N
  643195.5600  0.0300 -3.5106 3  262.8711 57 -58516 303281513      281414        C-13-H3C-13-H2C-13-N
  643195.5600  0.0300 -3.5106 3  262.8711 57 -58516 303281514      281415        C-13-H3C-13-H2C-13-N
  643251.2630  0.0300 -3.5027 3  271.2486 59 -58516 303291514      291415        C-13-H3C-13-H2C-13-N
  643251.2630  0.0300 -3.5027 3  271.2486 59 -58516 303291515      291416        C-13-H3C-13-H2C-13-N
  643273.4430  0.0300 -4.4182 3  967.8407151 -58516 303751560      751461        C-13-H3C-13-H2C-13-N
  643273.4430  0.0300 -4.4182 3  967.8407151 -58516 303751561      751462        C-13-H3C-13-H2C-13-N
  643307.4660  0.0300 -3.4971 3  279.9147 61 -58516 303301515      301416        C-13-H3C-13-H2C-13-N
  643307.4660  0.0300 -3.4971 3  279.9147 61 -58516 303301516      301417        C-13-H3C-13-H2C-13-N
  643340.1555  0.0032 -5.1393 3  149.8696 65  58516 30332 528      31 329        C-13-H3C-13-H2C-13-N
  643364.0170  0.0300 -3.4935 3  288.8693 63 -58516 303311516      311417        C-13-H3C-13-H2C-13-N
  643364.0170  0.0300 -3.4935 3  288.8693 63 -58516 303311517      311418        C-13-H3C-13-H2C-13-N
  643406.4630  0.0300 -4.3800 3  946.2394149 -58516 303741559      741460        C-13-H3C-13-H2C-13-N
  643406.4630  0.0300 -4.3800 3  946.2394149 -58516 303741560      741461        C-13-H3C-13-H2C-13-N
  643420.7500  0.0300 -3.4917 3  298.1125 65 -58516 303321517      321418        C-13-H3C-13-H2C-13-N
  643420.7500  0.0300 -3.4917 3  298.1125 65 -58516 303321518      321419        C-13-H3C-13-H2C-13-N
  643477.5160  0.0300 -3.4917 3  307.6441 67 -58516 303331518      331419        C-13-H3C-13-H2C-13-N
  643477.5160  0.0300 -3.4917 3  307.6441 67 -58516 303331519      331420        C-13-H3C-13-H2C-13-N
  643489.1092  0.0220 -4.7445 3 1675.2630149  58516 303743539      733538        C-13-H3C-13-H2C-13-N
  643489.1092  0.0220 -4.7445 3 1675.2630149  58516 303743540      733539        C-13-H3C-13-H2C-13-N
  643529.4290  0.0300 -4.3424 3  924.9241147 -58516 303731558      731459        C-13-H3C-13-H2C-13-N
  643529.4290  0.0300 -4.3424 3  924.9241147 -58516 303731559      731460        C-13-H3C-13-H2C-13-N
  643533.8073  0.0024 -3.6463 3  318.3219 93  58516 30346 640      45 541        C-13-H3C-13-H2C-13-N
  643534.1512  0.0019 -3.4933 3  317.4642 69  58516 303341519      341420        C-13-H3C-13-H2C-13-N
  643534.1512  0.0019 -3.4933 3  317.4642 69  58516 303341520      341421        C-13-H3C-13-H2C-13-N
  643590.5220  0.0300 -3.4964 3  327.5726 71 -58516 303351520      351421        C-13-H3C-13-H2C-13-N
  643590.5220  0.0300 -3.4964 3  327.5726 71 -58516 303351521      351422        C-13-H3C-13-H2C-13-N
  643642.6370  0.0300 -4.3056 3  903.8949145 -58516 303721557      721458        C-13-H3C-13-H2C-13-N
  643642.6370  0.0300 -4.3056 3  903.8949145 -58516 303721558      721459        C-13-H3C-13-H2C-13-N
  643646.4410  0.0300 -3.5008 3  337.9695 73 -58516 303361521      361422        C-13-H3C-13-H2C-13-N
  643646.4410  0.0300 -3.5008 3  337.9695 73 -58516 303361522      361423        C-13-H3C-13-H2C-13-N
  643701.7600  0.0300 -3.5066 3  348.6546 75 -58516 303371522      371423        C-13-H3C-13-H2C-13-N
  643701.7600  0.0300 -3.5066 3  348.6546 75 -58516 303371523      371424        C-13-H3C-13-H2C-13-N
  643746.4610  0.0300 -4.2695 3  883.1518143 -58516 303711556      711457        C-13-H3C-13-H2C-13-N
  643746.4610  0.0300 -4.2695 3  883.1518143 -58516 303711557      711458        C-13-H3C-13-H2C-13-N
  643756.2930  0.0300 -3.5137 3  359.6281 77 -58516 303381523      381424        C-13-H3C-13-H2C-13-N
  643756.2930  0.0300 -3.5137 3  359.6281 77 -58516 303381524      381425        C-13-H3C-13-H2C-13-N
  643809.8600  0.0300 -3.5220 3  370.8898 79 -58516 303391524      391425        C-13-H3C-13-H2C-13-N
  643809.8600  0.0300 -3.5220 3  370.8898 79 -58516 303391525      391426        C-13-H3C-13-H2C-13-N
  643837.5673  0.0033 -5.5159 3   85.0568 47  58516 30323 618      22 419        C-13-H3C-13-H2C-13-N
  643841.2210  0.0300 -4.2341 3  862.6950141 -58516 303701555      701456        C-13-H3C-13-H2C-13-N
  643841.2210  0.0300 -4.2341 3  862.6950141 -58516 303701556      701457        C-13-H3C-13-H2C-13-N
  643861.8515  0.0100 -5.2231 3  573.4842125  58516 30362 656      62 359        C-13-H3C-13-H2C-13-N
  643862.2830  0.0300 -3.5314 3  382.4397 81 -58516 303401525      401426        C-13-H3C-13-H2C-13-N
  643862.2830  0.0300 -3.5314 3  382.4397 81 -58516 303401526      401427        C-13-H3C-13-H2C-13-N
  643897.9600  0.0304 -4.8567 3 1725.8972149  58516 303743638      733637        C-13-H3C-13-H2C-13-N
  643897.9600  0.0304 -4.8567 3 1725.8972149  58516 303743639      733638        C-13-H3C-13-H2C-13-N
  643913.3900  0.0300 -3.5420 3  394.2778 83 -58516 303411526      411427        C-13-H3C-13-H2C-13-N
  643913.3900  0.0300 -3.5420 3  394.2778 83 -58516 303411527      411428        C-13-H3C-13-H2C-13-N
  643927.1860  0.0300 -4.1994 3  842.5244139 -58516 303691554      691455        C-13-H3C-13-H2C-13-N
  643927.1860  0.0300 -4.1994 3  842.5244139 -58516 303691555      691456        C-13-H3C-13-H2C-13-N
  643962.9560  0.0300 -3.5536 3  406.4040 85 -58516 303421527      421428        C-13-H3C-13-H2C-13-N
  643962.9560  0.0300 -3.5536 3  406.4040 85 -58516 303421528      421429        C-13-H3C-13-H2C-13-N
  643980.1398  0.1223 -5.4425 3 1009.6326117  58516 303582731      592634        C-13-H3C-13-H2C-13-N
  643980.1398  0.1223 -5.4425 3 1009.6326117  58516 303582732      592633        C-13-H3C-13-H2C-13-N
  644004.6980  0.0300 -4.1654 3  822.6403137 -58516 303681553      681454        C-13-H3C-13-H2C-13-N
  644004.6980  0.0300 -4.1654 3  822.6403137 -58516 303681554      681455        C-13-H3C-13-H2C-13-N
  644010.8150  0.0500 -3.5663 3  418.8182 87 -58516 303431528      431429        C-13-H3C-13-H2C-13-N
  644010.8150  0.0500 -3.5663 3  418.8182 87 -58516 303431529      431430        C-13-H3C-13-H2C-13-N
  644056.7810  0.0500 -3.5800 3  431.5205 89 -58516 303441529      441430        C-13-H3C-13-H2C-13-N
  644056.7810  0.0500 -3.5800 3  431.5205 89 -58516 303441530      441431        C-13-H3C-13-H2C-13-N
  644074.0630  0.0300 -4.1321 3  803.0426135 -58516 303671552      671453        C-13-H3C-13-H2C-13-N
  644074.0630  0.0300 -4.1321 3  803.0426135 -58516 303671553      671454        C-13-H3C-13-H2C-13-N
  644100.6250  0.0300 -3.5946 3  444.5108 91 -58516 303451530      451431        C-13-H3C-13-H2C-13-N
  644100.6250  0.0300 -3.5946 3  444.5108 91 -58516 303451531      451432        C-13-H3C-13-H2C-13-N
  644135.6210  0.0300 -4.0995 3  783.7314133 -58516 303661551      661452        C-13-H3C-13-H2C-13-N
  644135.6210  0.0300 -4.0995 3  783.7314133 -58516 303661552      661453        C-13-H3C-13-H2C-13-N
  644142.1510  0.0300 -3.6102 3  457.7890 93 -58516 303461531      461432        C-13-H3C-13-H2C-13-N
  644142.1510  0.0300 -3.6102 3  457.7890 93 -58516 303461532      461433        C-13-H3C-13-H2C-13-N
  644162.6570  0.0042 -3.9182 3  840.9763157  58516 30378 177      77 276        C-13-H3C-13-H2C-13-N
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  644318.4547  0.0417 -4.9720 3 1777.8056149  58516 303743738      733737        C-13-H3C-13-H2C-13-N
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  644330.7310  0.0300 -3.7229 3  543.5017105 -58516 303521538      521439        C-13-H3C-13-H2C-13-N
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  644335.7100  0.0300 -3.9478 3  691.4762123 -58516 303611547      611448        C-13-H3C-13-H2C-13-N
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  644349.9840  0.0300 -3.7447 3  558.7940107 -58516 303531539      531440        C-13-H3C-13-H2C-13-N
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  644365.1290  0.0300 -3.7673 3  574.3737109 -58516 303541540      541441        C-13-H3C-13-H2C-13-N
  644370.8670  0.0300 -3.8923 3  656.5824119 -58516 303591544      591445        C-13-H3C-13-H2C-13-N
  644370.8670  0.0300 -3.8923 3  656.5824119 -58516 303591545      591446        C-13-H3C-13-H2C-13-N
  644375.9390  0.0300 -3.7907 3  590.2408111 -58516 303551540      551441        C-13-H3C-13-H2C-13-N
  644375.9390  0.0300 -3.7907 3  590.2408111 -58516 303551541      551442        C-13-H3C-13-H2C-13-N
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  644379.8750  0.0300 -3.8658 3  639.5662117 -58516 303581544      581445        C-13-H3C-13-H2C-13-N
  644382.1550  0.0300 -3.8149 3  606.3953113 -58516 303561541      561442        C-13-H3C-13-H2C-13-N
  644382.1550  0.0300 -3.8149 3  606.3953113 -58516 303561542      561443        C-13-H3C-13-H2C-13-N
  644383.6170  0.0300 -3.8400 3  622.8371115 -58516 303571542      571443        C-13-H3C-13-H2C-13-N
  644383.6170  0.0300 -3.8400 3  622.8371115 -58516 303571543      571444        C-13-H3C-13-H2C-13-N
  644750.2773  0.0566 -5.0901 3 1830.9768149  58516 303743836      733835        C-13-H3C-13-H2C-13-N
  644750.2773  0.0566 -5.0901 3 1830.9768149  58516 303743837      733836        C-13-H3C-13-H2C-13-N
  644768.9711  0.0051 -5.2551 3  301.1734 89  58516 30344 737      44 440        C-13-H3C-13-H2C-13-N
  644880.0020  0.0300 -3.3654 3  218.5088 73 -58516 30336 829      35 728        C-13-H3C-13-H2C-13-N
  644890.4680  0.0300 -3.3654 3  218.5085 73 -58516 30336 828      35 729        C-13-H3C-13-H2C-13-N
  644947.8870  0.0300 -4.1020 3  704.2971139 -58516 30369 664      68 563        C-13-H3C-13-H2C-13-N
  645022.1574  0.0806 -5.2673 3  890.0091107  58516 303532627      542530        C-13-H3C-13-H2C-13-N
  645022.1574  0.0806 -5.2673 3  890.0091107  58516 303532628      542529        C-13-H3C-13-H2C-13-N
  645193.1333  0.0759 -5.2113 3 1885.3995149  58516 303743935      733934        C-13-H3C-13-H2C-13-N
  645193.1333  0.0759 -5.2113 3 1885.3995149  58516 303743936      733935        C-13-H3C-13-H2C-13-N
  645352.2688  0.0115 -5.1777 3  695.6332137  58516 30368 761      68 464        C-13-H3C-13-H2C-13-N
  645624.9640  0.0300 -2.8675 3  829.3962151 -58516 30375 670      74 669        C-13-H3C-13-H2C-13-N
  645631.5560  0.0300 -4.1275 3  839.5555153 -58516 30376 472      75 571        C-13-H3C-13-H2C-13-N
  645646.7470  0.1008 -5.3354 3 1941.0623149  58516 303744034      734033        C-13-H3C-13-H2C-13-N
  645646.7470  0.1008 -5.3354 3 1941.0623149  58516 303744035      734034        C-13-H3C-13-H2C-13-N
  645822.3148  0.0073 -5.6315 3  677.6559133  58516 30366 958      66 759        C-13-H3C-13-H2C-13-N
  645841.5782  0.0073 -3.8767 3  846.3256159  58516 30379 079      78 178        C-13-H3C-13-H2C-13-N
  645841.5870  0.0300 -2.8769 3  846.3256159 -58516 30379 179      78 178        C-13-H3C-13-H2C-13-N
  645841.5870  0.0300 -2.8769 3  846.3256159 -58516 30379 079      78 078        C-13-H3C-13-H2C-13-N
  645841.5808  0.0073 -3.8767 3  846.3256159  58516 30379 179      78 078        C-13-H3C-13-H2C-13-N
  646009.4512  0.0509 -5.1238 3  779.0222 97  58516 303482523      492426        C-13-H3C-13-H2C-13-N
  646009.4512  0.0509 -5.1238 3  779.0222 97  58516 303482524      492425        C-13-H3C-13-H2C-13-N
  646065.3900  0.0300 -2.8750 3  829.6806149 -58516 30374 866      73 865        C-13-H3C-13-H2C-13-N
  646110.8588  0.1323 -5.4625 3 1997.9534149  58516 303744133      734132        C-13-H3C-13-H2C-13-N
  646110.8588  0.1323 -5.4625 3 1997.9534149  58516 303744134      734133        C-13-H3C-13-H2C-13-N
  646585.2238  0.1720 -5.5925 3 2056.0613149  58516 303744232      734231        C-13-H3C-13-H2C-13-N
  646585.2238  0.1720 -5.5925 3 2056.0613149  58516 303744233      734232        C-13-H3C-13-H2C-13-N
  646620.7620  0.0300 -3.8744 3  311.1748 93 -58516 30346 541      45 442        C-13-H3C-13-H2C-13-N
  646932.8656  0.0304 -5.0174 3  676.6805 87  58516 303432419      442322        C-13-H3C-13-H2C-13-N
  646932.8656  0.0304 -5.0174 3  676.6805 87  58516 303432420      442321        C-13-H3C-13-H2C-13-N
  647069.6101  0.2215 -5.7254 3 2115.3741149  58516 303744331      734330        C-13-H3C-13-H2C-13-N
  647069.6101  0.2215 -5.7254 3 2115.3741149  58516 303744332      734331        C-13-H3C-13-H2C-13-N
  647144.5410  0.0300 -3.2897 3  181.9447 63 -58516 30331 923      30 822        C-13-H3C-13-H2C-13-N
  647144.5410  0.0300 -3.2897 3  181.9447 63 -58516 30331 922      30 823        C-13-H3C-13-H2C-13-N
  647397.0965  0.0022 -3.2179 3  990.6621151  58516 303751659      741658        C-13-H3C-13-H2C-13-N
  647397.2170  0.0500 -3.2179 3  990.6621151 -58516 303751660      741659        C-13-H3C-13-H2C-13-N
  647397.3593  0.0023 -3.2715 3 1015.1072151  58516 303751758      741757        C-13-H3C-13-H2C-13-N
  647397.3593  0.0023 -3.2715 3 1015.1072151  58516 303751759      741758        C-13-H3C-13-H2C-13-N
  647446.0910  0.0300 -3.3283 3 1041.0236151 -58516 303751857      741856        C-13-H3C-13-H2C-13-N
  647446.0910  0.0300 -3.3283 3 1041.0236151 -58516 303751858      741857        C-13-H3C-13-H2C-13-N
  647455.9480  0.0300 -3.1675 3  967.7011151 -58516 303751560      741559        C-13-H3C-13-H2C-13-N
  647455.9480  0.0300 -3.1675 3  967.7011151 -58516 303751561      741560        C-13-H3C-13-H2C-13-N
  647493.0080  0.0300 -3.4856 3  275.8911 85 -58516 30342 736      41 635        C-13-H3C-13-H2C-13-N
  647535.5720  0.0300 -3.3882 3 1068.3997151 -58516 303751956      741955        C-13-H3C-13-H2C-13-N
  647535.5720  0.0300 -3.3882 3 1068.3997151 -58516 303751957      741956        C-13-H3C-13-H2C-13-N
  647539.8360  0.0300 -2.8799 3  839.5555153 -58516 30376 572      75 571        C-13-H3C-13-H2C-13-N
  647570.6490  0.0042 -4.3017 3  872.7390155  58516 30377 572      76 671        C-13-H3C-13-H2C-13-N
  647588.9840  0.0300 -3.1203 3  946.2394151 -58516 303751462      741461        C-13-H3C-13-H2C-13-N
  647588.9840  0.0300 -3.1203 3  946.2394151 -58516 303751461      741460        C-13-H3C-13-H2C-13-N
  647602.3010  0.0043 -5.3397 3   98.4675 53  58516 30326 522      25 223        C-13-H3C-13-H2C-13-N
  647659.9580  0.0300 -3.4513 3 1097.2248151 -58516 303752055      742054        C-13-H3C-13-H2C-13-N
  647659.9580  0.0300 -3.4513 3 1097.2248151 -58516 303752056      742055        C-13-H3C-13-H2C-13-N
  647756.4210  0.0300 -4.1192 3  724.3726141 -58516 30370 665      69 564        C-13-H3C-13-H2C-13-N
  647783.2026  0.0168 -4.9572 3  582.9915 77  58516 303382315      392218        C-13-H3C-13-H2C-13-N
  647783.2026  0.0168 -4.9572 3  582.9915 77  58516 303382316      392217        C-13-H3C-13-H2C-13-N
  647814.8830  0.0500 -3.5176 3 1127.4887151 -58516 303752154      742153        C-13-H3C-13-H2C-13-N
  647814.8830  0.0500 -3.5176 3 1127.4887151 -58516 303752155      742154        C-13-H3C-13-H2C-13-N
  647818.1740  0.0300 -3.0763 3  926.2955151 -58516 303751363      741362        C-13-H3C-13-H2C-13-N
  647818.1740  0.0300 -3.0763 3  926.2955151 -58516 303751362      741361        C-13-H3C-13-H2C-13-N
  647918.1250  0.0300 -2.8793 3  839.4792153 -58516 30376 472      75 471        C-13-H3C-13-H2C-13-N
  647996.8920  0.0500 -3.5869 3 1159.1814151 -58516 303752253      742252        C-13-H3C-13-H2C-13-N
  647996.8920  0.0500 -3.5869 3 1159.1814151 -58516 303752254      742253        C-13-H3C-13-H2C-13-N
  648177.1035  0.0020 -3.0355 3  907.8936151  58516 303751264      741263        C-13-H3C-13-H2C-13-N
  648177.5531  0.0020 -3.0355 3  907.8937151  58516 303751263      741262        C-13-H3C-13-H2C-13-N
  648203.2770  0.0500 -3.6595 3 1192.2933151 -58516 303752352      742351        C-13-H3C-13-H2C-13-N
  648203.2770  0.0500 -3.6595 3 1192.2933151 -58516 303752353      742352        C-13-H3C-13-H2C-13-N
  648431.9730  0.0300 -3.7351 3 1226.8146151 -58516 303752451      742450        C-13-H3C-13-H2C-13-N
  648431.9730  0.0300 -3.7351 3 1226.8146151 -58516 303752452      742451        C-13-H3C-13-H2C-13-N
  648471.5530  0.0300 -3.2372 3  154.1489 53 -58516 303261016      25 917        C-13-H3C-13-H2C-13-N
  648471.5530  0.0300 -3.2372 3  154.1489 53 -58516 303261017      25 916        C-13-H3C-13-H2C-13-N
  648551.3299  0.0087 -4.9608 3  497.9619 67  58516 303332211      342114        C-13-H3C-13-H2C-13-N
  648551.3299  0.0087 -4.9608 3  497.9619 67  58516 303332212      342113        C-13-H3C-13-H2C-13-N
  648605.5760  0.0300 -2.8619 3  828.6542151 -58516 30375 570      74 569        C-13-H3C-13-H2C-13-N
  648681.0340  0.0300 -3.8138 3 1262.7356151 -58516 303752550      742549        C-13-H3C-13-H2C-13-N
  648681.0340  0.0300 -3.8138 3 1262.7356151 -58516 303752551      742550        C-13-H3C-13-H2C-13-N
  648718.4650  0.0300 -2.9979 3  891.0681151 -58516 303751165      741164        C-13-H3C-13-H2C-13-N
  648725.2180  0.0300 -2.9979 3  891.0688151 -58516 303751164      741163        C-13-H3C-13-H2C-13-N
  648887.2910  0.0300 -4.0496 3  848.4144155 -58516 30377 374      76 473        C-13-H3C-13-H2C-13-N
  648929.7900  0.0300 -3.4842 3  275.8471 85 -58516 30342 735      41 636        C-13-H3C-13-H2C-13-N
  648949.2062  0.0036 -3.8956 3 1300.0466151  58516 303752649      742648        C-13-H3C-13-H2C-13-N
  648949.2062  0.0036 -3.8956 3 1300.0466151  58516 303752650      742649        C-13-H3C-13-H2C-13-N
  649002.0780  0.0300 -2.8903 3  848.4144155 -58516 30377 474      76 473        C-13-H3C-13-H2C-13-N
  649028.1400  0.0300 -2.8902 3  848.4097155 -58516 30377 374      76 373        C-13-H3C-13-H2C-13-N
  649142.8970  0.0300 -4.0493 3  848.4097155 -58516 30377 474      76 373        C-13-H3C-13-H2C-13-N
  649179.4984  0.0078 -5.5204 3  270.8686 87  58516 30343 539      43 242        C-13-H3C-13-H2C-13-N
  649228.3053  0.0050 -5.0674 3  421.5972 57  58516 3032821 7      292010        C-13-H3C-13-H2C-13-N
  649228.3053  0.0050 -5.0674 3  421.5972 57  58516 3032821 8      2920 9        C-13-H3C-13-H2C-13-N
  649235.1750  0.0300 -3.9805 3 1338.7377151 -58516 303752748      742747        C-13-H3C-13-H2C-13-N
  649235.1750  0.0300 -3.9805 3 1338.7377151 -58516 303752749      742748        C-13-H3C-13-H2C-13-N
  649364.1140  0.0300 -3.2016 3  135.0653 43 -58516 303211110      201011        C-13-H3C-13-H2C-13-N
  649364.1140  0.0300 -3.2016 3  135.0653 43 -58516 303211111      201010        C-13-H3C-13-H2C-13-N
  649512.4420  0.0300 -2.9636 3  875.8686151 -58516 303751066      741065        C-13-H3C-13-H2C-13-N
  649537.9390  0.0300 -4.0685 3 1378.7990151 -58516 303752847      742846        C-13-H3C-13-H2C-13-N
  649537.9390  0.0300 -4.0685 3 1378.7990151 -58516 303752848      742847        C-13-H3C-13-H2C-13-N
  649592.5930  0.0300 -2.9635 3  875.8783151 -58516 303751065      741064        C-13-H3C-13-H2C-13-N
  649612.9225  0.0124 -5.6049 3  348.7562 99  58516 30349 445      49 148        C-13-H3C-13-H2C-13-N
  649719.3640  0.0031 -4.7330 3  271.4932 87  58516 30343 538      42 339        C-13-H3C-13-H2C-13-N
  649805.5183  0.0046 -5.3997 3  353.9020 47  58516 3032320 3      2419 6        C-13-H3C-13-H2C-13-N
  649805.5183  0.0046 -5.3997 3  353.9020 47  58516 3032320 4      2419 5        C-13-H3C-13-H2C-13-N
  649826.5030  0.0300 -4.1217 3  839.4792153 -58516 30376 572      75 471        C-13-H3C-13-H2C-13-N
  649856.5850  0.0046 -4.1595 3 1420.2203151  58516 303752946      742945        C-13-H3C-13-H2C-13-N
  649856.5850  0.0046 -4.1595 3 1420.2203151  58516 303752947      742946        C-13-H3C-13-H2C-13-N
  649858.8330  0.0300 -2.8843 3  839.8277151 -58516 30375 769      74 768        C-13-H3C-13-H2C-13-N
  650005.4880  0.0300 -3.1751 3  124.6706 33 -58516 3031612 4      1511 5        C-13-H3C-13-H2C-13-N
  650005.4880  0.0300 -3.1751 3  124.6706 33 -58516 3031612 5      1511 4        C-13-H3C-13-H2C-13-N
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  650190.4445  0.0055 -4.2535 3 1462.9915151  58516 303753046      743045        C-13-H3C-13-H2C-13-N
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  650538.8299  0.0069 -4.3506 3 1507.1021151  58516 303753145      743144        C-13-H3C-13-H2C-13-N
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  650901.1800  0.0500 -4.4507 3 1552.5417151 -58516 303753244      743243        C-13-H3C-13-H2C-13-N
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  651217.8430  0.1792 -5.6135 3 1119.3710125  58516 303622835      632736        C-13-H3C-13-H2C-13-N
  651242.1370  0.0300 -2.9319 3  862.4546151 -58516 30375 966      74 965        C-13-H3C-13-H2C-13-N
  651276.9361  0.0125 -4.5538 3 1599.2997151  58516 303753342      743341        C-13-H3C-13-H2C-13-N
  651276.9361  0.0125 -4.5538 3 1599.2997151  58516 303753343      743342        C-13-H3C-13-H2C-13-N
  651435.0170  0.0300 -2.8489 3  821.2679149 -58516 30374 767      73 766        C-13-H3C-13-H2C-13-N
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  651665.6826  0.0172 -4.6598 3 1647.3652151  58516 303753442      743441        C-13-H3C-13-H2C-13-N
  651918.7924  0.0066 -5.6054 3  658.3640131  58516 30365 957      65 758        C-13-H3C-13-H2C-13-N
  652012.1331  0.0121 -4.6139 3  974.0549163  58516 30381 675      80 774        C-13-H3C-13-H2C-13-N
  652047.9761  0.0051 -5.2897 3  288.1910 87  58516 30343 736      43 439        C-13-H3C-13-H2C-13-N
  652066.9867  0.0238 -4.7689 3 1696.7275151  58516 303753540      743539        C-13-H3C-13-H2C-13-N
  652066.9867  0.0238 -4.7689 3 1696.7275151  58516 303753541      743540        C-13-H3C-13-H2C-13-N
  652148.4494  0.0033 -5.4685 3   91.7156 49  58516 30324 619      23 420        C-13-H3C-13-H2C-13-N
  652215.7520  0.0044 -3.9460 3  862.4632159  58516 30379 178      78 277        C-13-H3C-13-H2C-13-N
  652215.8580  0.0300 -2.9029 3  862.4632159 -58516 30379 278      78 277        C-13-H3C-13-H2C-13-N
  652215.8580  0.0300 -2.9029 3  862.4632159 -58516 30379 178      78 177        C-13-H3C-13-H2C-13-N
  652215.9640  0.0044 -3.9460 3  862.4632159  58516 30379 278      78 177        C-13-H3C-13-H2C-13-N
  652348.4510  0.1223 -5.4156 3  992.5631115  58516 303572730      582633        C-13-H3C-13-H2C-13-N
  652348.4510  0.1223 -5.4156 3  992.5631115  58516 303572731      582632        C-13-H3C-13-H2C-13-N
  652480.4670  0.0326 -4.8809 3 1747.3753151  58516 303753639      743638        C-13-H3C-13-H2C-13-N
  652480.4670  0.0326 -4.8809 3 1747.3753151  58516 303753640      743639        C-13-H3C-13-H2C-13-N
  652501.5047  0.0042 -5.2458 3  106.1191 55  58516 30327 523      26 224        C-13-H3C-13-H2C-13-N
  652905.7725  0.0444 -4.9959 3 1799.2977151  58516 303753738      743737        C-13-H3C-13-H2C-13-N
  652905.7725  0.0444 -4.9959 3 1799.2977151  58516 303753739      743738        C-13-H3C-13-H2C-13-N
  653320.9650  0.0500 -3.3703 3  228.9200 75 -58516 30337 830      36 729        C-13-H3C-13-H2C-13-N
  653329.4780  0.0484 -5.4831 3 1323.8469189  58516 30394 886      93 985        C-13-H3C-13-H2C-13-N
  653336.3420  0.0500 -3.3703 3  228.9195 75 -58516 30337 829      36 730        C-13-H3C-13-H2C-13-N
  653342.5780  0.0598 -5.1138 3 1852.4833151  58516 303753837      743836        C-13-H3C-13-H2C-13-N
  653342.5780  0.0598 -5.1138 3 1852.4833151  58516 303753838      743837        C-13-H3C-13-H2C-13-N
  653430.6028  0.0806 -5.2466 3  874.3835105  58516 303522626      532529        C-13-H3C-13-H2C-13-N
  653430.6028  0.0806 -5.2466 3  874.3835105  58516 303522627      532528        C-13-H3C-13-H2C-13-N
  653760.3800  0.0300 -2.8960 3  850.9319153 -58516 30376 671      75 670        C-13-H3C-13-H2C-13-N
  653771.4390  0.0500 -3.6657 3  331.6521 95 -58516 30347 641      46 542        C-13-H3C-13-H2C-13-N
  653790.5808  0.0797 -5.2347 3 1906.9208151  58516 303753936      743935        C-13-H3C-13-H2C-13-N
  653790.5808  0.0797 -5.2347 3 1906.9208151  58516 303753937      743936        C-13-H3C-13-H2C-13-N
  653896.2537  0.0075 -3.9054 3  867.8686161  58516 30380 080      79 179        C-13-H3C-13-H2C-13-N
  653896.2600  0.0300 -2.9058 3  867.8686161 -58516 30380 180      79 179        C-13-H3C-13-H2C-13-N
  653896.2600  0.0300 -2.9058 3  867.8686161 -58516 30380 080      79 079        C-13-H3C-13-H2C-13-N
  653896.2557  0.0075 -3.9054 3  867.8686161  58516 30380 180      79 079        C-13-H3C-13-H2C-13-N
  653994.0100  0.0500 -4.1504 3  861.1551155 -58516 30377 473      76 572        C-13-H3C-13-H2C-13-N
  654249.4974  0.1053 -5.3585 3 1962.5987151  58516 303754035      744034        C-13-H3C-13-H2C-13-N
  654249.4974  0.1053 -5.3585 3 1962.5987151  58516 303754036      744035        C-13-H3C-13-H2C-13-N
  654312.7650  0.0500 -5.1172 3  159.0669 67 -58516 30333 529      32 330        C-13-H3C-13-H2C-13-N
  654455.2369  0.0509 -5.1105 3  764.8417 95  58516 303472522      482425        C-13-H3C-13-H2C-13-N
  654455.2369  0.0509 -5.1105 3  764.8417 95  58516 303472523      482424        C-13-H3C-13-H2C-13-N
  654587.7615  0.0272 -5.0215 3 1129.8968175  58516 30387 780      86 879        C-13-H3C-13-H2C-13-N
  654604.5932  0.0044 -4.1553 3  765.3060145  58516 30372 667      71 566        C-13-H3C-13-H2C-13-N
  654719.0611  0.1376 -5.4853 3 2019.5054151  58516 303754134      744133        C-13-H3C-13-H2C-13-N
  654719.0611  0.1376 -5.4853 3 2019.5054151  58516 303754135      744134        C-13-H3C-13-H2C-13-N
  655185.9070  0.0300 -2.9020 3  851.2310151 -58516 30375 867      74 866        C-13-H3C-13-H2C-13-N
  655199.0205  0.1782 -5.6149 3 2077.6291151  58516 303754233      744232        C-13-H3C-13-H2C-13-N
  655199.0205  0.1782 -5.6149 3 2077.6291151  58516 303754234      744233        C-13-H3C-13-H2C-13-N
  655264.0200  0.0500 -3.4970 3  288.0784 87 -58516 30343 737      42 636        C-13-H3C-13-H2C-13-N
  655413.1718  0.0304 -5.0133 3  663.9460 85  58516 303422418      432321        C-13-H3C-13-H2C-13-N
  655413.1718  0.0304 -5.0133 3  663.9460 85  58516 303422419      432320        C-13-H3C-13-H2C-13-N
  655500.5051  0.0059 -4.1614 3  266.3259 87  58516 30343 439      42 340        C-13-H3C-13-H2C-13-N
  655543.5885  0.0114 -4.9082 3  165.6999 71  58516 30335 233      34 134        C-13-H3C-13-H2C-13-N
  655584.3210  0.0300 -2.9088 3  861.1551155 -58516 30377 573      76 572        C-13-H3C-13-H2C-13-N
  655637.8514  0.0114 -5.6152 3  165.6968 71  58516 30335 233      34 034        C-13-H3C-13-H2C-13-N
  655689.1373  0.2288 -5.7475 3 2136.9580151  58516 303754332      744331        C-13-H3C-13-H2C-13-N
  655689.1373  0.2288 -5.7475 3 2136.9580151  58516 303754333      744332        C-13-H3C-13-H2C-13-N
  655734.0560  0.0500 -3.2907 3  190.9002 65 -58516 30332 924      31 823        C-13-H3C-13-H2C-13-N
  655734.0560  0.0500 -3.2907 3  190.9002 65 -58516 30332 923      31 824        C-13-H3C-13-H2C-13-N
  655747.6468  0.0052 -5.2056 3  172.3686 71  58516 30335 432      34 233        C-13-H3C-13-H2C-13-N
  655902.3040  0.0300 -2.9082 3  861.0915155 -58516 30377 473      76 472        C-13-H3C-13-H2C-13-N
  655944.2820  0.0300 -3.2990 3 1036.7021153 -58516 303761759      751758        C-13-H3C-13-H2C-13-N
  655944.2820  0.0300 -3.2990 3 1036.7021153 -58516 303761760      751759        C-13-H3C-13-H2C-13-N
  655949.6530  0.0300 -3.2455 3 1012.2570153 -58516 303761660      751659        C-13-H3C-13-H2C-13-N
  655949.6530  0.0300 -3.2455 3 1012.2570153 -58516 303761661      751660        C-13-H3C-13-H2C-13-N
  655988.9900  0.0300 -3.3557 3 1062.6201153 -58516 303761858      751857        C-13-H3C-13-H2C-13-N
  655988.9900  0.0300 -3.3557 3 1062.6201153 -58516 303761859      751858        C-13-H3C-13-H2C-13-N
  656016.2020  0.0300 -3.1951 3  989.2979153 -58516 303761561      751560        C-13-H3C-13-H2C-13-N
  656016.2020  0.0300 -3.1951 3  989.2979153 -58516 303761562      751561        C-13-H3C-13-H2C-13-N
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  656075.6780  0.0300 -3.4156 3 1089.9992153 -58516 303761958      751957        C-13-H3C-13-H2C-13-N
  656159.6300  0.0300 -3.1480 3  967.8407153 -58516 303761463      751462        C-13-H3C-13-H2C-13-N
  656159.6300  0.0300 -3.1480 3  967.8407153 -58516 303761462      751461        C-13-H3C-13-H2C-13-N
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  656198.3430  0.0300 -3.4786 3 1118.8284153 -58516 303762057      752056        C-13-H3C-13-H2C-13-N
  656295.2033  0.0169 -4.9657 3  571.7039 75  58516 303372314      382217        C-13-H3C-13-H2C-13-N
  656295.2033  0.0169 -4.9657 3  571.7039 75  58516 303372315      382216        C-13-H3C-13-H2C-13-N
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  656352.4620  0.0300 -3.5448 3 1149.0974153 -58516 303762156      752155        C-13-H3C-13-H2C-13-N
  656396.3490  0.0300 -2.8911 3  850.2893153 -58516 30376 571      75 570        C-13-H3C-13-H2C-13-N
  656402.9800  0.0300 -3.1040 3  947.9044153 -58516 303761364      751363        C-13-H3C-13-H2C-13-N
  656402.9800  0.0300 -3.1040 3  947.9044153 -58516 303761363      751362        C-13-H3C-13-H2C-13-N
  656534.2580  0.0500 -3.6141 3 1180.7962153 -58516 303762254      752253        C-13-H3C-13-H2C-13-N
  656534.2580  0.0500 -3.6141 3 1180.7962153 -58516 303762255      752254        C-13-H3C-13-H2C-13-N
  656741.1390  0.0300 -3.6865 3 1213.9150153 -58516 303762353      752352        C-13-H3C-13-H2C-13-N
  656741.1390  0.0300 -3.6865 3 1213.9150153 -58516 303762354      752353        C-13-H3C-13-H2C-13-N
  656781.5102  0.0020 -3.0633 3  929.5145153  58516 303761265      751264        C-13-H3C-13-H2C-13-N
  656782.1074  0.0020 -3.0633 3  929.5145153  58516 303761264      751263        C-13-H3C-13-H2C-13-N
  656949.4220  0.0300 -4.0756 3  870.0627157 -58516 30378 375      77 474        C-13-H3C-13-H2C-13-N
  656970.8010  0.0500 -3.7620 3 1248.4439153 -58516 303762452      752451        C-13-H3C-13-H2C-13-N
  656970.8010  0.0500 -3.7620 3 1248.4439153 -58516 303762453      752452        C-13-H3C-13-H2C-13-N
  657042.8620  0.0300 -2.9193 3  870.0627157 -58516 30378 475      77 474        C-13-H3C-13-H2C-13-N
  657064.1640  0.0300 -2.9193 3  870.0589157 -58516 30378 375      77 374        C-13-H3C-13-H2C-13-N
  657092.2150  0.0088 -4.9887 3  488.1217 65  58516 303322210      332113        C-13-H3C-13-H2C-13-N
  657092.2150  0.0088 -4.9887 3  488.1217 65  58516 303322211      332112        C-13-H3C-13-H2C-13-N
  657122.4444  0.0017 -3.2349 3  161.6568 55  58516 303271017      26 918        C-13-H3C-13-H2C-13-N
  657122.4444  0.0017 -3.2349 3  161.6568 55  58516 303271018      26 917        C-13-H3C-13-H2C-13-N
  657131.0494  0.0055 -5.3127 3  278.5666 87  58516 30343 638      43 341        C-13-H3C-13-H2C-13-N
  657152.2510  0.0300 -3.4952 3  288.0207 87 -58516 30343 736      42 637        C-13-H3C-13-H2C-13-N
  657157.6660  0.0300 -4.0753 3  870.0589157 -58516 30378 475      77 374        C-13-H3C-13-H2C-13-N
  657221.4040  0.0500 -3.8407 3 1284.3733153 -58516 303762551      752550        C-13-H3C-13-H2C-13-N
  657221.4040  0.0500 -3.8407 3 1284.3733153 -58516 303762552      752551        C-13-H3C-13-H2C-13-N
  657350.3430  0.0300 -3.0258 3  912.7070153 -58516 303761166      751165        C-13-H3C-13-H2C-13-N
  657359.0530  0.0300 -3.0258 3  912.7079153 -58516 303761165      751164        C-13-H3C-13-H2C-13-N
  657491.4920  0.0300 -3.9224 3 1321.6932153 -58516 303762650      752649        C-13-H3C-13-H2C-13-N
  657491.4920  0.0300 -3.9224 3 1321.6932153 -58516 303762651      752650        C-13-H3C-13-H2C-13-N
  657492.6332  0.0025 -4.1456 3  861.0915155  58516 30377 573      76 472        C-13-H3C-13-H2C-13-N
  657532.4428  0.0061 -5.5805 3  639.3784129  58516 30364 956      64 757        C-13-H3C-13-H2C-13-N
  657583.5966  0.0040 -5.1555 3  114.0559 57  58516 30328 524      27 225        C-13-H3C-13-H2C-13-N
  657704.1072  0.0041 -4.3186 3  894.8169157  58516 30378 573      77 672        C-13-H3C-13-H2C-13-N
  657779.7560  0.0300 -4.0071 3 1360.3939153 -58516 303762749      752748        C-13-H3C-13-H2C-13-N
  657779.7560  0.0300 -4.0071 3 1360.3939153 -58516 303762750      752749        C-13-H3C-13-H2C-13-N
  657795.3030  0.0052 -5.1327 3  413.2047 55  58516 3032721 6      2820 9        C-13-H3C-13-H2C-13-N
  657795.3030  0.0052 -5.1327 3  413.2047 55  58516 3032721 7      2820 8        C-13-H3C-13-H2C-13-N
  657962.0216  0.0111 -5.3810 3  462.4447113  58516 30356 551      56 254        C-13-H3C-13-H2C-13-N
  658040.1980  0.0300 -3.1967 3  141.1290 45 -58516 303221111      211012        C-13-H3C-13-H2C-13-N
  658040.1980  0.0300 -3.1967 3  141.1290 45 -58516 303221112      211011        C-13-H3C-13-H2C-13-N
  658085.1150  0.0300 -4.0950 3 1400.4652153 -58516 303762848      752847        C-13-H3C-13-H2C-13-N
  658085.1150  0.0300 -4.0950 3 1400.4652153 -58516 303762849      752848        C-13-H3C-13-H2C-13-N
  658176.0510  0.0300 -2.8657 3  836.5670151 -58516 30375 669      74 668        C-13-H3C-13-H2C-13-N
  658179.3880  0.0300 -2.9915 3  897.5340153 -58516 303761067      751066        C-13-H3C-13-H2C-13-N
  658219.2240  0.0300 -2.9128 3  861.5047153 -58516 30376 770      75 769        C-13-H3C-13-H2C-13-N
  658279.5850  0.0300 -2.9914 3  897.5463153 -58516 303761066      751065        C-13-H3C-13-H2C-13-N
  658334.7780  0.2555 -5.8018 3 1235.1301133  58516 303662937      672840        C-13-H3C-13-H2C-13-N
  658334.7780  0.2555 -5.8018 3 1235.1301133  58516 303662938      672839        C-13-H3C-13-H2C-13-N
  658395.9193  0.0047 -5.5774 3  346.9572 45  58516 3032220 2      2319 5        C-13-H3C-13-H2C-13-N
  658395.9193  0.0047 -5.5774 3  346.9572 45  58516 3032220 3      2319 4        C-13-H3C-13-H2C-13-N
  658406.7411  0.0050 -4.1858 3 1441.8972153  58516 303762947      752946        C-13-H3C-13-H2C-13-N
  658406.7411  0.0050 -4.1858 3 1441.8972153  58516 303762948      752947        C-13-H3C-13-H2C-13-N
  658469.4310  0.0500 -4.5399 3  172.2778 71 -58516 30335 432      34 133        C-13-H3C-13-H2C-13-N
  658608.4730  0.0300 -4.0203 3  877.7097159 -58516 30379 277      78 376        C-13-H3C-13-H2C-13-N
  658611.9477  0.0033 -2.9271 3  877.7097159  58516 30379 377      78 376        C-13-H3C-13-H2C-13-N
  658612.8099  0.0033 -2.9271 3  877.7095159  58516 30379 277      78 276        C-13-H3C-13-H2C-13-N
  658616.2300  0.0300 -4.0203 3  877.7095159 -58516 30379 377      78 276        C-13-H3C-13-H2C-13-N
  658639.4475  0.0044 -4.1744 3  786.1626147  58516 30373 668      72 567        C-13-H3C-13-H2C-13-N
  658673.2558  0.0099 -5.6040 3  156.3298 69  58516 30334 332      33 133        C-13-H3C-13-H2C-13-N
  658689.7558  0.0023 -3.1693 3  129.2912 35  58516 3031712 5      1611 6        C-13-H3C-13-H2C-13-N
  658689.7558  0.0023 -3.1693 3  129.2912 35  58516 3031712 6      1611 5        C-13-H3C-13-H2C-13-N
  658713.5839  0.0032 -5.4251 3   98.7227 51  58516 30325 619      24 420        C-13-H3C-13-H2C-13-N
  658743.8800  0.0300 -4.2797 3 1484.6795153 -58516 303763046      753045        C-13-H3C-13-H2C-13-N
  658743.8800  0.0300 -4.2797 3 1484.6795153 -58516 303763047      753046        C-13-H3C-13-H2C-13-N
  658793.0829  0.0098 -4.8997 3  156.3258 69  58516 30334 332      33 033        C-13-H3C-13-H2C-13-N
  659067.4635  0.0129 -5.2248 3  715.3875139  58516 30369 762      69 465        C-13-H3C-13-H2C-13-N
  659095.7337  0.0076 -4.3766 3 1528.8018153  58516 303763145      753144        C-13-H3C-13-H2C-13-N
  659095.7337  0.0076 -4.3766 3 1528.8018153  58516 303763146      753145        C-13-H3C-13-H2C-13-N
  659218.2420  0.0300 -2.9607 3  884.0528153 -58516 30376 968      75 967        C-13-H3C-13-H2C-13-N
  659239.7790  0.0051 -5.3246 3  275.5032 85  58516 30342 735      42 438        C-13-H3C-13-H2C-13-N
  659241.1560  0.0033 -4.7229 3  284.0622 89  58516 30344 539      43 340        C-13-H3C-13-H2C-13-N
  659461.8227  0.0100 -4.4766 3 1574.2535153  58516 303763244      753243        C-13-H3C-13-H2C-13-N
  659461.8227  0.0100 -4.4766 3 1574.2535153  58516 303763245      753244        C-13-H3C-13-H2C-13-N
  659550.1846  0.1793 -5.5825 3 1101.1457123  58516 303612833      622736        C-13-H3C-13-H2C-13-N
  659550.1846  0.1793 -5.5825 3 1101.1457123  58516 303612834      622735        C-13-H3C-13-H2C-13-N
  659736.3192  0.0076 -4.4762 3  213.4250 79  58516 30339 336      38 237        C-13-H3C-13-H2C-13-N
  659765.8050  0.0300 -2.9340 3  872.2067153 -58516 30376 869      75 868        C-13-H3C-13-H2C-13-N
  659841.5788  0.0137 -4.5795 3 1621.0240153  58516 303763343      753342        C-13-H3C-13-H2C-13-N
  659841.5788  0.0137 -4.5795 3 1621.0240153  58516 303763344      753343        C-13-H3C-13-H2C-13-N
  660070.3763  0.0023 -2.9598 3  884.1777153  58516 30376 967      75 966        C-13-H3C-13-H2C-13-N
  660234.5266  0.0188 -4.6854 3 1669.1025153  58516 303763442      753441        C-13-H3C-13-H2C-13-N
  660234.5266  0.0188 -4.6854 3 1669.1025153  58516 303763443      753442        C-13-H3C-13-H2C-13-N
  660265.9296  0.0045 -3.9746 3  884.2188161  58516 30380 179      79 278        C-13-H3C-13-H2C-13-N
  660266.0032  0.0045 -2.9324 3  884.2188161  58516 30380 279      79 278        C-13-H3C-13-H2C-13-N
  660266.0230  0.0045 -2.9324 3  884.2188161  58516 30380 179      79 178        C-13-H3C-13-H2C-13-N
  660266.0966  0.0045 -3.9746 3  884.2188161  58516 30380 279      79 178        C-13-H3C-13-H2C-13-N
  660384.6654  0.0030 -2.8766 3  842.9974151  58516 30375 768      74 767        C-13-H3C-13-H2C-13-N
  660435.8227  0.0032 -5.4239 3   98.6651 51  58516 30325 620      24 421        C-13-H3C-13-H2C-13-N
  660640.2358  0.0257 -4.7942 3 1718.4781153  58516 303763541      753540        C-13-H3C-13-H2C-13-N
  660640.2358  0.0257 -4.7942 3 1718.4781153  58516 303763542      753541        C-13-H3C-13-H2C-13-N
  660723.2976  0.1223 -5.3902 3  975.7808113  58516 303562729      572632        C-13-H3C-13-H2C-13-N
  660723.2976  0.1223 -5.3902 3  975.7808113  58516 303562730      572631        C-13-H3C-13-H2C-13-N
  660940.0338  0.0074 -5.1781 3  213.3848 79  58516 30339 336      38 137        C-13-H3C-13-H2C-13-N
  661058.3134  0.0350 -4.9060 3 1769.1397153  58516 303763640      753639        C-13-H3C-13-H2C-13-N
  661058.3134  0.0350 -4.9060 3 1769.1397153  58516 303763641      753640        C-13-H3C-13-H2C-13-N
  661488.3981  0.0473 -5.0208 3 1821.0763153  58516 303763739      753738        C-13-H3C-13-H2C-13-N
  661488.3981  0.0473 -5.0208 3 1821.0763153  58516 303763740      753739        C-13-H3C-13-H2C-13-N
  661738.3591  0.0016 -3.3761 3  239.6217 77  58516 30338 831      37 730        C-13-H3C-13-H2C-13-N
  661760.6631  0.0016 -3.3761 3  239.6210 77  58516 30338 830      37 731        C-13-H3C-13-H2C-13-N
  661845.2055  0.0807 -5.2277 3  859.0455103  58516 303512625      522528        C-13-H3C-13-H2C-13-N
  661845.2055  0.0807 -5.2277 3  859.0455103  58516 303512626      522527        C-13-H3C-13-H2C-13-N
  661879.0601  0.0024 -2.9253 3  872.7390155  58516 30377 672      76 671        C-13-H3C-13-H2C-13-N
  661930.1558  0.0633 -5.1385 3 1874.2765153  58516 303763838      753837        C-13-H3C-13-H2C-13-N
  661930.1558  0.0633 -5.1385 3 1874.2765153  58516 303763839      753838        C-13-H3C-13-H2C-13-N
  661948.0083  0.0077 -3.9348 3  889.6802163  58516 30381 081      80 180        C-13-H3C-13-H2C-13-N
  661948.0089  0.0077 -2.9355 3  889.6802163  58516 30381 181      80 180        C-13-H3C-13-H2C-13-N
  661948.0092  0.0077 -2.9355 3  889.6802163  58516 30381 081      80 080        C-13-H3C-13-H2C-13-N
  661948.0098  0.0077 -3.9348 3  889.6802163  58516 30381 181      80 080        C-13-H3C-13-H2C-13-N
  662299.8797  0.0025 -4.1744 3  883.0231157  58516 30378 474      77 573        C-13-H3C-13-H2C-13-N
  662383.2750  0.0839 -5.2591 3 1928.7290153  58516 303763937      753936        C-13-H3C-13-H2C-13-N
  662383.2750  0.0839 -5.2591 3 1928.7290153  58516 303763938      753937        C-13-H3C-13-H2C-13-N
  662680.1784  0.0056 -5.5568 3  620.6985127  58516 30363 955      63 756        C-13-H3C-13-H2C-13-N
  662731.1834  0.0082 -5.5365 3  283.1723 89  58516 30344 540      44 243        C-13-H3C-13-H2C-13-N
  662847.4644  0.1101 -5.3827 3 1984.4221153  58516 303764036      754035        C-13-H3C-13-H2C-13-N
  662847.4644  0.1101 -5.3827 3 1984.4221153  58516 303764037      754036        C-13-H3C-13-H2C-13-N
  662906.8057  0.0509 -5.0992 3  750.9491 93  58516 303462521      472424        C-13-H3C-13-H2C-13-N
  662906.8057  0.0509 -5.0992 3  750.9491 93  58516 303462522      472423        C-13-H3C-13-H2C-13-N
  662911.7494  0.0017 -3.5096 3  300.5609 89  58516 30344 738      43 637        C-13-H3C-13-H2C-13-N
  662913.1545  0.0038 -5.0691 3  122.2757 59  58516 30329 525      28 226        C-13-H3C-13-H2C-13-N
  663066.8604  0.0043 -4.1943 3  807.2786149  58516 30374 669      73 568        C-13-H3C-13-H2C-13-N
  663090.3660  0.0108 -5.2762 3  591.3787127  58516 30363 657      63 360        C-13-H3C-13-H2C-13-N
  663206.1133  0.0055 -4.8755 3  266.0688 87  58516 30343 439      42 240        C-13-H3C-13-H2C-13-N
  663322.4502  0.1433 -5.5091 3 2041.3444153  58516 303764135      754134        C-13-H3C-13-H2C-13-N
  663322.4502  0.1433 -5.5091 3 2041.3444153  58516 303764136      754135        C-13-H3C-13-H2C-13-N
  663446.1323  0.0110 -5.1690 3  724.3726139  58516 30369 861      69 564        C-13-H3C-13-H2C-13-N
  663623.4421  0.0026 -2.9384 3  883.0231157  58516 30378 574      77 573        C-13-H3C-13-H2C-13-N
  663629.1961  0.0048 -3.9084 3  324.4125 95  58516 30347 542      46 443        C-13-H3C-13-H2C-13-N
  663633.9184  0.0118 -5.1812 3  744.7092141  58516 30370 862      70 565        C-13-H3C-13-H2C-13-N
  663807.9740  0.1849 -5.6385 3 2099.4841153  58516 303764234      754233        C-13-H3C-13-H2C-13-N
  663807.9740  0.1849 -5.6385 3 2099.4841153  58516 303764235      754234        C-13-H3C-13-H2C-13-N
  663890.2040  0.0026 -2.9379 3  882.9700157  58516 30378 474      77 473        C-13-H3C-13-H2C-13-N
  663898.8936  0.0304 -5.0119 3  651.4998 83  58516 303412417      422320        C-13-H3C-13-H2C-13-N
  663898.8936  0.0304 -5.0119 3  651.4998 83  58516 303412418      422319        C-13-H3C-13-H2C-13-N
  664198.0623  0.0024 -2.9210 3  872.1844155  58516 30377 572      76 571        C-13-H3C-13-H2C-13-N
  664303.7915  0.2366 -5.7708 3 2158.8294153  58516 303764333      754332        C-13-H3C-13-H2C-13-N
  664303.7915  0.2366 -5.7708 3 2158.8294153  58516 303764334      754333        C-13-H3C-13-H2C-13-N
  664313.3482  0.0015 -3.2925 3  200.1450 67  58516 30333 925      32 824        C-13-H3C-13-H2C-13-N
  664313.4289  0.0015 -3.2925 3  200.1450 67  58516 30333 924      32 825        C-13-H3C-13-H2C-13-N
  664328.8145  0.0029 -2.9299 3  873.0856153  58516 30376 868      75 867        C-13-H3C-13-H2C-13-N
  664409.4648  0.0103 -5.1608 3  704.2971137  58516 30368 860      68 563        C-13-H3C-13-H2C-13-N
  664412.6963  0.0027 -3.6869 3  345.2684 97  58516 30348 642      47 543        C-13-H3C-13-H2C-13-N
  664413.6787  0.0055 -5.3107 3  291.0807 89  58516 30344 639      44 342        C-13-H3C-13-H2C-13-N
  664487.8043  0.0025 -3.3273 3 1058.5820155  58516 303771760      761759        C-13-H3C-13-H2C-13-N
  664487.8043  0.0025 -3.3273 3 1058.5820155  58516 303771761      761760        C-13-H3C-13-H2C-13-N
  664499.0151  0.0024 -3.2739 3 1034.1371155  58516 303771661      761660        C-13-H3C-13-H2C-13-N
  664499.0151  0.0024 -3.2739 3 1034.1371155  58516 303771662      761661        C-13-H3C-13-H2C-13-N
  664528.2976  0.0026 -3.3840 3 1084.5016155  58516 303771859      761858        C-13-H3C-13-H2C-13-N
  664528.2976  0.0026 -3.3840 3 1084.5016155  58516 303771860      761859        C-13-H3C-13-H2C-13-N
  664573.5031  0.0023 -3.2236 3 1011.1803155  58516 303771562      761561        C-13-H3C-13-H2C-13-N
  664573.5031  0.0023 -3.2236 3 1011.1803155  58516 303771563      761562        C-13-H3C-13-H2C-13-N
  664612.0834  0.0027 -3.4438 3 1111.8835155  58516 303771958      761957        C-13-H3C-13-H2C-13-N
  664612.0834  0.0027 -3.4438 3 1111.8835155  58516 303771959      761958        C-13-H3C-13-H2C-13-N
  664727.6731  0.0022 -3.1765 3  989.7278155  58516 303771464      761463        C-13-H3C-13-H2C-13-N
  664727.6752  0.0022 -3.1765 3  989.7278155  58516 303771463      761462        C-13-H3C-13-H2C-13-N
  664732.8954  0.0028 -3.5067 3 1140.7169155  58516 303772057      762056        C-13-H3C-13-H2C-13-N
  664732.8954  0.0028 -3.5067 3 1140.7169155  58516 303772058      762057        C-13-H3C-13-H2C-13-N
  664812.2620  0.0169 -4.9782 3  560.7048 73  58516 303362313      372216        C-13-H3C-13-H2C-13-N
  664812.2620  0.0169 -4.9782 3  560.7048 73  58516 303362314      372215        C-13-H3C-13-H2C-13-N
  664885.9656  0.0030 -3.5728 3 1170.9910155  58516 303772156      762155        C-13-H3C-13-H2C-13-N
  664885.9656  0.0030 -3.5728 3 1170.9910155  58516 303772157      762156        C-13-H3C-13-H2C-13-N
  664985.6509  0.0022 -3.1326 3  969.7996155  58516 303771365      761364        C-13-H3C-13-H2C-13-N
  664985.6962  0.0022 -3.1326 3  969.7996155  58516 303771364      761363        C-13-H3C-13-H2C-13-N
  665004.6575  0.0029 -4.1025 3  891.9793159  58516 30379 376      78 475        C-13-H3C-13-H2C-13-N
  665025.5836  0.0127 -5.1976 3  765.3060143  58516 30371 863      71 566        C-13-H3C-13-H2C-13-N
  665067.5985  0.0032 -3.6421 3 1202.6959155  58516 303772255      762254        C-13-H3C-13-H2C-13-N
  665067.5985  0.0032 -3.6421 3 1202.6959155  58516 303772256      762255        C-13-H3C-13-H2C-13-N
  665080.7439  0.0029 -2.9491 3  891.9793159  58516 30379 476      78 475        C-13-H3C-13-H2C-13-N
  665098.1404  0.0029 -2.9491 3  891.9762159  58516 30379 376      78 375        C-13-H3C-13-H2C-13-N
  665174.2268  0.0029 -4.1022 3  891.9762159  58516 30379 476      78 375        C-13-H3C-13-H2C-13-N
  665213.7664  0.0027 -4.1704 3  882.9700157  58516 30378 574      77 473        C-13-H3C-13-H2C-13-N
  665274.8820  0.0034 -3.7144 3 1235.8215155  58516 303772354      762353        C-13-H3C-13-H2C-13-N
  665274.8820  0.0034 -3.7144 3 1235.8215155  58516 303772355      762354        C-13-H3C-13-H2C-13-N
  665373.4400  0.0017 -3.5072 3  300.4861 89  58516 30344 737      43 638        C-13-H3C-13-H2C-13-N
  665384.4543  0.0021 -3.0920 3  951.4224155  58516 303771266      761265        C-13-H3C-13-H2C-13-N
  665385.2441  0.0021 -3.0920 3  951.4224155  58516 303771265      761264        C-13-H3C-13-H2C-13-N
  665505.4859  0.0036 -3.7898 3 1270.3581155  58516 303772453      762452        C-13-H3C-13-H2C-13-N
  665505.4859  0.0036 -3.7898 3 1270.3581155  58516 303772454      762453        C-13-H3C-13-H2C-13-N
  665623.3092  0.0117 -4.6239 3  997.3920165  58516 30382 676      81 775        C-13-H3C-13-H2C-13-N
  665626.9227  0.0034 -5.0978 3  168.5442 69  58516 30334 530      33 331        C-13-H3C-13-H2C-13-N
  665637.8124  0.0089 -5.0237 3  478.5702 63  58516 3033122 9      322112        C-13-H3C-13-H2C-13-N
  665637.8124  0.0089 -5.0237 3  478.5702 63  58516 303312210      322111        C-13-H3C-13-H2C-13-N
  665757.5196  0.0039 -3.8684 3 1306.2958155  58516 303772552      762551        C-13-H3C-13-H2C-13-N
  665757.5196  0.0039 -3.8684 3 1306.2958155  58516 303772553      762552        C-13-H3C-13-H2C-13-N
  665768.9737  0.0017 -3.2333 3  169.4537 57  58516 303281019      27 918        C-13-H3C-13-H2C-13-N
  665768.9738  0.0017 -3.2333 3  169.4537 57  58516 303281018      27 919        C-13-H3C-13-H2C-13-N
  665981.6233  0.0021 -3.0545 3  934.6338155  58516 303771167      761166        C-13-H3C-13-H2C-13-N
  665992.8213  0.0021 -3.0545 3  934.6351155  58516 303771166      761165        C-13-H3C-13-H2C-13-N
  666029.4284  0.0041 -3.9500 3 1343.6248155  58516 303772651      762650        C-13-H3C-13-H2C-13-N
  666029.4284  0.0041 -3.9500 3 1343.6248155  58516 303772652      762651        C-13-H3C-13-H2C-13-N
  666208.8452  0.0027 -2.8954 3  858.5214153  58516 30376 670      75 669        C-13-H3C-13-H2C-13-N
  666277.0597  0.0051 -5.3600 3  263.1120 83  58516 30341 734      41 437        C-13-H3C-13-H2C-13-N
  666319.9182  0.0044 -4.0346 3 1382.3350155  58516 303772750      762749        C-13-H3C-13-H2C-13-N
  666319.9182  0.0044 -4.0346 3 1382.3350155  58516 303772751      762750        C-13-H3C-13-H2C-13-N
  666361.3602  0.0032 -5.3835 3  105.9837 53  58516 30326 620      25 421        C-13-H3C-13-H2C-13-N
  666366.6816  0.0053 -5.2140 3  405.1011 53  58516 3032621 5      2720 8        C-13-H3C-13-H2C-13-N
  666366.6816  0.0053 -5.2140 3  405.1011 53  58516 3032621 6      2720 7        C-13-H3C-13-H2C-13-N
  666463.5208  0.0097 -5.1563 3  684.4838135  58516 30367 859      67 562        C-13-H3C-13-H2C-13-N
  666552.9265  0.0025 -2.9422 3  883.4605155  58516 30377 771      76 770        C-13-H3C-13-H2C-13-N
  666627.8980  0.0047 -4.1223 3 1422.4166155  58516 303772849      762848        C-13-H3C-13-H2C-13-N
  666627.8980  0.0047 -4.1223 3 1422.4166155  58516 303772850      762849        C-13-H3C-13-H2C-13-N
  666629.2042  0.2555 -5.7671 3 1215.7498131  58516 303652936      662839        C-13-H3C-13-H2C-13-N
  666629.2042  0.2555 -5.7671 3 1215.7498131  58516 303652937      662838        C-13-H3C-13-H2C-13-N
  666653.1792  0.0035 -4.0487 3  899.6786161  58516 30380 278      79 377        C-13-H3C-13-H2C-13-N
  666655.9346  0.0035 -2.9571 3  899.6786161  58516 30380 378      79 377        C-13-H3C-13-H2C-13-N
  666656.6250  0.0035 -2.9571 3  899.6785161  58516 30380 278      79 277        C-13-H3C-13-H2C-13-N
  666659.3804  0.0035 -4.0487 3  899.6785161  58516 30380 378      79 277        C-13-H3C-13-H2C-13-N
  666714.9932  0.0019 -3.1925 3  147.4816 47  58516 303231112      221013        C-13-H3C-13-H2C-13-N
  666714.9932  0.0019 -3.1925 3  147.4816 47  58516 303231113      221012        C-13-H3C-13-H2C-13-N
  666845.9112  0.0021 -3.0203 3  919.4885155  58516 303771068      761067        C-13-H3C-13-H2C-13-N
  666952.4382  0.0054 -4.2131 3 1463.8593155  58516 303772948      762947        C-13-H3C-13-H2C-13-N
  666952.4382  0.0054 -4.2131 3 1463.8593155  58516 303772949      762948        C-13-H3C-13-H2C-13-N
  666970.5805  0.0021 -3.0202 3  919.5042155  58516 303771067      761066        C-13-H3C-13-H2C-13-N
  667292.7371  0.0065 -4.3068 3 1506.6528155  58516 303773047      763046        C-13-H3C-13-H2C-13-N
  667292.7371  0.0065 -4.3068 3 1506.6528155  58516 303773048      763047        C-13-H3C-13-H2C-13-N
  667374.4773  0.0022 -3.1638 3  134.2006 37  58516 3031812 6      1711 7        C-13-H3C-13-H2C-13-N
  667374.4773  0.0022 -3.1638 3  134.2006 37  58516 3031812 7      1711 6        C-13-H3C-13-H2C-13-N
  667384.3310  0.0052 -5.5345 3  602.3235125  58516 30362 954      62 755        C-13-H3C-13-H2C-13-N
  667562.5848  0.0039 -4.3373 3  917.1651159  58516 30379 574      78 673        C-13-H3C-13-H2C-13-N
  667648.0966  0.0083 -4.4036 3 1550.7868155  58516 303773146      763145        C-13-H3C-13-H2C-13-N
  667648.0966  0.0083 -4.4036 3 1550.7868155  58516 303773147      763146        C-13-H3C-13-H2C-13-N
  667666.1347  0.0139 -5.2182 3  786.1626145  58516 30372 864      72 567        C-13-H3C-13-H2C-13-N
  667835.0899  0.0026 -3.1361 3  129.5993 27  58516 3031313 0      1212 1        C-13-H3C-13-H2C-13-N
  667835.0899  0.0026 -3.1361 3  129.5993 27  58516 3031313 1      1212 0        C-13-H3C-13-H2C-13-N
  667868.9543  0.0043 -4.2150 3  828.6542151  58516 30375 670      74 569        C-13-H3C-13-H2C-13-N
  667889.4301  0.1793 -5.5530 3 1083.2072121  58516 303602832      612735        C-13-H3C-13-H2C-13-N
  667889.4301  0.1793 -5.5530 3 1083.2072121  58516 303602833      612734        C-13-H3C-13-H2C-13-N
  667896.7021  0.0023 -2.9896 3  906.0420155  58516 30377 969      76 968        C-13-H3C-13-H2C-13-N
  668017.9020  0.0110 -4.5034 3 1596.2508155  58516 303773245      763244        C-13-H3C-13-H2C-13-N
  668017.9020  0.0110 -4.5034 3 1596.2508155  58516 303773246      763245        C-13-H3C-13-H2C-13-N
  668313.1566  0.0046 -4.0040 3  906.2429163  58516 30381 180      80 279        C-13-H3C-13-H2C-13-N
  668313.2146  0.0046 -2.9626 3  906.2429163  58516 30381 280      80 279        C-13-H3C-13-H2C-13-N
  668313.2302  0.0046 -2.9626 3  906.2429163  58516 30381 180      80 179        C-13-H3C-13-H2C-13-N
  668313.2881  0.0046 -4.0040 3  906.2429163  58516 30381 280      80 179        C-13-H3C-13-H2C-13-N
  668341.8301  0.0025 -2.9632 3  894.2141155  58516 30377 870      76 869        C-13-H3C-13-H2C-13-N
  668401.6070  0.0150 -4.6061 3 1643.0339155  58516 303773344      763343        C-13-H3C-13-H2C-13-N
  668401.6070  0.0150 -4.6061 3 1643.0339155  58516 303773345      763344        C-13-H3C-13-H2C-13-N
  668555.7818  0.0037 -4.9870 3  130.7764 61  58516 30330 526      29 227        C-13-H3C-13-H2C-13-N
  668705.0823  0.0031 -5.3820 3  105.9053 53  58516 30326 621      25 422        C-13-H3C-13-H2C-13-N
  668798.7216  0.0204 -4.7119 3 1691.1255155  58516 303773443      763442        C-13-H3C-13-H2C-13-N
  668798.7216  0.0204 -4.7119 3 1691.1255155  58516 303773444      763443        C-13-H3C-13-H2C-13-N
  668917.5121  0.0024 -2.9886 3  906.1953155  58516 30377 968      76 967        C-13-H3C-13-H2C-13-N
  669104.6698  0.1223 -5.3664 3  959.2856111  58516 303552728      562631        C-13-H3C-13-H2C-13-N
  669104.6698  0.1223 -5.3664 3  959.2856111  58516 303552729      562630        C-13-H3C-13-H2C-13-N
  669208.8024  0.0278 -4.8205 3 1740.5147155  58516 303773542      763541        C-13-H3C-13-H2C-13-N
  669208.8024  0.0278 -4.8205 3 1740.5147155  58516 303773543      763542        C-13-H3C-13-H2C-13-N
  669267.7979  0.0032 -2.9054 3  865.0255153  58516 30376 769      75 768        C-13-H3C-13-H2C-13-N
  669540.6178  0.0092 -5.1554 3  664.9339133  58516 30366 858      66 561        C-13-H3C-13-H2C-13-N
  669631.4449  0.0376 -4.9322 3 1791.1903155  58516 303773641      763640        C-13-H3C-13-H2C-13-N
  669631.4449  0.0376 -4.9322 3 1791.1903155  58516 303773642      763641        C-13-H3C-13-H2C-13-N
  669821.1598  0.0035 -4.7182 3  296.9019 91  58516 30345 540      44 341        C-13-H3C-13-H2C-13-N
  669982.1696  0.0025 -2.9553 3  894.8169157  58516 30378 673      77 672        C-13-H3C-13-H2C-13-N
  669996.8087  0.0078 -3.9650 3  911.7604165  58516 30382 082      81 181        C-13-H3C-13-H2C-13-N
  669996.8093  0.0078 -2.9659 3  911.7604165  58516 30382 182      81 181        C-13-H3C-13-H2C-13-N
  669996.8094  0.0078 -2.9659 3  911.7604165  58516 30382 082      81 081        C-13-H3C-13-H2C-13-N
  669996.8100  0.0078 -3.9650 3  911.7604165  58516 30382 182      81 081        C-13-H3C-13-H2C-13-N
  670066.2774  0.0504 -5.0467 3 1843.1412155  58516 303773740      763739        C-13-H3C-13-H2C-13-N
  670066.2774  0.0504 -5.0467 3 1843.1412155  58516 303773741      763740        C-13-H3C-13-H2C-13-N
  670130.1958  0.0016 -3.3830 3  250.6141 79  58516 30339 832      38 731        C-13-H3C-13-H2C-13-N
  670162.3332  0.0016 -3.3829 3  250.6131 79  58516 30339 831      38 732        C-13-H3C-13-H2C-13-N
  670265.9569  0.0807 -5.2106 3  843.9951101  58516 303502624      512527        C-13-H3C-13-H2C-13-N
  670265.9569  0.0807 -5.2106 3  843.9951101  58516 303502625      512526        C-13-H3C-13-H2C-13-N
  670417.5904  0.0018 -3.5233 3  313.3395 91  58516 30345 739      44 638        C-13-H3C-13-H2C-13-N
  670512.9562  0.0670 -5.1642 3 1896.3561155  58516 303773839      763838        C-13-H3C-13-H2C-13-N
  670512.9562  0.0670 -5.1642 3 1896.3561155  58516 303773840      763839        C-13-H3C-13-H2C-13-N
  670557.4127  0.0026 -4.1995 3  905.1592159  58516 30379 475      78 574        C-13-H3C-13-H2C-13-N
  670971.1612  0.0883 -5.2846 3 1950.8237155  58516 303773938      763937        C-13-H3C-13-H2C-13-N
  670971.1612  0.0883 -5.2846 3 1950.8237155  58516 303773939      763938        C-13-H3C-13-H2C-13-N
  671364.1504  0.0510 -5.0903 3  737.3445 91  58516 303452520      462423        C-13-H3C-13-H2C-13-N
  671364.1504  0.0510 -5.0903 3  737.3445 91  58516 303452521      462422        C-13-H3C-13-H2C-13-N
  671440.5932  0.1154 -5.4079 3 2006.5323155  58516 303774037      764036        C-13-H3C-13-H2C-13-N
  671440.5932  0.1154 -5.4079 3 2006.5323155  58516 303774038      764037        C-13-H3C-13-H2C-13-N
  671494.9997  0.0270 -5.0303 3 1155.0078177  58516 30388 781      87 880        C-13-H3C-13-H2C-13-N
  671592.8542  0.0152 -5.2431 3  807.2786147  58516 30373 865      73 568        C-13-H3C-13-H2C-13-N
  671657.5842  0.0027 -2.9687 3  905.1592159  58516 30379 575      78 574        C-13-H3C-13-H2C-13-N
  671671.1886  0.0049 -5.5135 3  584.2527123  58516 30361 953      61 754        C-13-H3C-13-H2C-13-N
  671880.9751  0.0027 -2.9684 3  905.1150159  58516 30379 475      78 474        C-13-H3C-13-H2C-13-N
  671920.9710  0.1494 -5.5341 3 2063.4705155  58516 303774136      764135        C-13-H3C-13-H2C-13-N
  671920.9710  0.1494 -5.5341 3 2063.4705155  58516 303774137      764136        C-13-H3C-13-H2C-13-N
  672012.5183  0.0025 -2.9517 3  894.3396157  58516 30378 573      77 572        C-13-H3C-13-H2C-13-N
  672252.8382  0.0056 -5.3116 3  303.8677 91  58516 30345 640      45 343        C-13-H3C-13-H2C-13-N
  672390.0255  0.0305 -5.0136 3  639.3420 81  58516 303402416      412319        C-13-H3C-13-H2C-13-N
  672390.0255  0.0305 -5.0136 3  639.3420 81  58516 303402417      412318        C-13-H3C-13-H2C-13-N
  672405.0525  0.0492 -5.4970 3 1350.9801191  58516 30395 887      94 986        C-13-H3C-13-H2C-13-N
  672412.0293  0.1921 -5.6631 3 2121.6264155  58516 303774235      764234        C-13-H3C-13-H2C-13-N
  672412.0293  0.1921 -5.6631 3 2121.6264155  58516 303774236      764235        C-13-H3C-13-H2C-13-N
  672610.2054  0.0053 -5.2052 3  182.2238 73  58516 30336 433      35 234        C-13-H3C-13-H2C-13-N
  672695.3084  0.0132 -5.6441 3  362.6877101  58516 30350 446      50 149        C-13-H3C-13-H2C-13-N
  672881.6607  0.0015 -3.2952 3  209.6794 69  58516 30334 926      33 825        C-13-H3C-13-H2C-13-N
  672881.7923  0.0015 -3.2952 3  209.6794 69  58516 30334 925      33 826        C-13-H3C-13-H2C-13-N
  672913.5172  0.2449 -5.7951 3 2180.9882155  58516 303774334      764333        C-13-H3C-13-H2C-13-N
  672913.5172  0.2449 -5.7951 3 2180.9882155  58516 303774335      764334        C-13-H3C-13-H2C-13-N
  672981.1466  0.0028 -4.1962 3  905.1150159  58516 30379 575      78 474        C-13-H3C-13-H2C-13-N
  673023.7635  0.0042 -4.2366 3  850.2893153  58516 30376 671      75 570        C-13-H3C-13-H2C-13-N
  673027.8590  0.0025 -3.3565 3 1080.7470157  58516 303781761      771760        C-13-H3C-13-H2C-13-N
  673027.8590  0.0025 -3.3565 3 1080.7470157  58516 303781762      771761        C-13-H3C-13-H2C-13-N
  673045.1238  0.0025 -3.3031 3 1056.3024157  58516 303781662      771661        C-13-H3C-13-H2C-13-N
  673045.1238  0.0025 -3.3031 3 1056.3024157  58516 303781663      771662        C-13-H3C-13-H2C-13-N
  673053.8359  0.0030 -4.1302 3  914.1640161  58516 30380 377      79 476        C-13-H3C-13-H2C-13-N
  673063.9691  0.0027 -3.4131 3 1106.6678157  58516 303781860      771859        C-13-H3C-13-H2C-13-N
  673063.9691  0.0027 -3.4131 3 1106.6678157  58516 303781861      771860        C-13-H3C-13-H2C-13-N
  673097.4446  0.0051 -5.3960 3  251.0193 81  58516 30340 733      40 436        C-13-H3C-13-H2C-13-N
  673115.7254  0.0030 -2.9797 3  914.1640161  58516 30380 477      79 476        C-13-H3C-13-H2C-13-N
  673127.8252  0.0024 -3.2529 3 1033.3481157  58516 303781564      771563        C-13-H3C-13-H2C-13-N
  673127.8254  0.0024 -3.2529 3 1033.3481157  58516 303781563      771562        C-13-H3C-13-H2C-13-N
  673129.9223  0.0030 -2.9797 3  914.1615161  58516 30380 377      79 376        C-13-H3C-13-H2C-13-N
  673144.6997  0.0028 -3.4729 3 1134.0526157  58516 303781959      771958        C-13-H3C-13-H2C-13-N
  673144.6997  0.0028 -3.4729 3 1134.0526157  58516 303781960      771959        C-13-H3C-13-H2C-13-N
  673191.8118  0.0030 -4.1300 3  914.1615161  58516 30380 477      79 376        C-13-H3C-13-H2C-13-N
  673263.5356  0.0029 -3.5357 3 1162.8900157  58516 303782058      772057        C-13-H3C-13-H2C-13-N
  673263.5356  0.0029 -3.5357 3 1162.8900157  58516 303782059      772058        C-13-H3C-13-H2C-13-N
  673293.0930  0.0023 -3.2059 3 1011.9007157  58516 303781465      771464        C-13-H3C-13-H2C-13-N
  673293.0960  0.0023 -3.2059 3 1011.9007157  58516 303781464      771463        C-13-H3C-13-H2C-13-N
  673334.3744  0.0170 -4.9953 3  549.9943 71  58516 303352312      362215        C-13-H3C-13-H2C-13-N
  673334.3744  0.0170 -4.9953 3  549.9943 71  58516 303352313      362214        C-13-H3C-13-H2C-13-N
  673415.5241  0.0031 -3.6018 3 1193.1692157  58516 303782157      772156        C-13-H3C-13-H2C-13-N
  673415.5241  0.0031 -3.6018 3 1193.1692157  58516 303782158      772157        C-13-H3C-13-H2C-13-N
  673489.0492  0.0031 -2.9586 3  895.2453155  58516 30377 869      76 868        C-13-H3C-13-H2C-13-N
  673566.1826  0.0022 -3.1621 3  991.9811157  58516 303781366      771365        C-13-H3C-13-H2C-13-N
  673566.2439  0.0022 -3.1621 3  991.9811157  58516 303781365      771364        C-13-H3C-13-H2C-13-N
  673566.4072  0.0088 -5.1577 3  645.6493131  58516 30365 857      65 560        C-13-H3C-13-H2C-13-N
  673596.8291  0.0034 -3.6709 3 1224.8801157  58516 303782256      772255        C-13-H3C-13-H2C-13-N
  673596.8291  0.0034 -3.6709 3 1224.8801157  58516 303782257      772256        C-13-H3C-13-H2C-13-N
  673602.0370  0.0018 -3.5203 3  313.2431 91  58516 30345 738      44 639        C-13-H3C-13-H2C-13-N
  673804.4293  0.0036 -3.7432 3 1258.0127157  58516 303782355      772354        C-13-H3C-13-H2C-13-N
  673804.4293  0.0036 -3.7432 3 1258.0127157  58516 303782356      772355        C-13-H3C-13-H2C-13-N
  673820.0305  0.0031 -5.3445 3  113.5413 55  58516 30327 621      26 422        C-13-H3C-13-H2C-13-N
  673985.9294  0.0022 -3.1215 3  973.6172157  58516 303781267      771266        C-13-H3C-13-H2C-13-N
  673986.9690  0.0022 -3.1215 3  973.6173157  58516 303781266      771265        C-13-H3C-13-H2C-13-N
  674026.0008  0.0145 -5.2750 3  735.4063141  58516 30370 763      70 466        C-13-H3C-13-H2C-13-N
  674035.9088  0.0038 -3.8185 3 1292.5570157  58516 303782454      772453        C-13-H3C-13-H2C-13-N
  674035.9088  0.0038 -3.8185 3 1292.5570157  58516 303782455      772454        C-13-H3C-13-H2C-13-N
  674173.9962  0.0027 -2.9260 3  880.7437155  58516 30377 671      76 670        C-13-H3C-13-H2C-13-N
  674188.1189  0.0090 -5.0669 3  469.3076 61  58516 3033022 8      312111        C-13-H3C-13-H2C-13-N
  674188.1189  0.0090 -5.0669 3  469.3076 61  58516 3033022 9      312110        C-13-H3C-13-H2C-13-N
  674289.3086  0.0041 -3.8969 3 1328.5031157  58516 303782553      772552        C-13-H3C-13-H2C-13-N
  674289.3086  0.0041 -3.8969 3 1328.5031157  58516 303782554      772553        C-13-H3C-13-H2C-13-N
  674410.6702  0.0016 -3.2326 3  177.5396 59  58516 303291020      28 919        C-13-H3C-13-H2C-13-N
  674410.6703  0.0016 -3.2326 3  177.5396 59  58516 303291019      28 920        C-13-H3C-13-H2C-13-N
  674563.0185  0.0043 -3.9784 3 1365.8411157  58516 303782652      772651        C-13-H3C-13-H2C-13-N
  674563.0185  0.0043 -3.9784 3 1365.8411157  58516 303782653      772652        C-13-H3C-13-H2C-13-N
  674576.8724  0.0035 -4.9094 3  139.5559 63  58516 30331 527      30 228        C-13-H3C-13-H2C-13-N
  674612.2983  0.0021 -3.0841 3  956.8486157  58516 303781168      771167        C-13-H3C-13-H2C-13-N
  674626.6183  0.0021 -3.0840 3  956.8502157  58516 303781167      771166        C-13-H3C-13-H2C-13-N
  674694.8023  0.0036 -4.0778 3  921.9159163  58516 30381 279      80 378        C-13-H3C-13-H2C-13-N
  674697.0052  0.0036 -2.9878 3  921.9159163  58516 30381 379      80 378        C-13-H3C-13-H2C-13-N
  674697.5577  0.0036 -2.9878 3  921.9158163  58516 30381 279      80 278        C-13-H3C-13-H2C-13-N
  674699.7606  0.0036 -4.0778 3  921.9158163  58516 30381 379      80 278        C-13-H3C-13-H2C-13-N
  674839.3175  0.0051 -4.5321 3  182.1494 73  58516 30336 433      35 134        C-13-H3C-13-H2C-13-N
  674855.6987  0.0046 -4.0630 3 1404.5611157  58516 303782751      772750        C-13-H3C-13-H2C-13-N
  674855.6987  0.0046 -4.0630 3 1404.5611157  58516 303782752      772751        C-13-H3C-13-H2C-13-N
  674860.1808  0.0026 -2.9723 3  905.6943157  58516 30378 772      77 771        C-13-H3C-13-H2C-13-N
  674930.8993  0.2556 -5.7336 3 1196.6558129  58516 303642935      652838        C-13-H3C-13-H2C-13-N
  674930.8993  0.2556 -5.7336 3 1196.6558129  58516 303642936      652837        C-13-H3C-13-H2C-13-N
  674942.4385  0.0055 -5.3166 3  397.2865 51  58516 3032521 4      2620 7        C-13-H3C-13-H2C-13-N
  674942.4385  0.0055 -5.3166 3  397.2865 51  58516 3032521 5      2620 6        C-13-H3C-13-H2C-13-N
  675166.2209  0.0051 -4.1506 3 1444.6529157  58516 303782850      772849        C-13-H3C-13-H2C-13-N
  675166.2209  0.0051 -4.1506 3 1444.6529157  58516 303782851      772850        C-13-H3C-13-H2C-13-N
  675388.2088  0.0018 -3.1891 3  154.1229 49  58516 303241113      231014        C-13-H3C-13-H2C-13-N
  675388.2088  0.0018 -3.1891 3  154.1229 49  58516 303241114      231013        C-13-H3C-13-H2C-13-N
  675493.6237  0.0058 -4.2412 3 1486.1064157  58516 303782949      772948        C-13-H3C-13-H2C-13-N
  675493.6237  0.0058 -4.2412 3 1486.1064157  58516 303782950      772949        C-13-H3C-13-H2C-13-N
  675511.7722  0.0022 -3.0499 3  941.7320157  58516 303781069      771068        C-13-H3C-13-H2C-13-N
  675512.0484  0.0030 -3.7101 3  359.1701 99  58516 30349 643      48 544        C-13-H3C-13-H2C-13-N
  675569.5758  0.0046 -5.4938 3  566.4848121  58516 30360 952      60 753        C-13-H3C-13-H2C-13-N
  675666.2490  0.0022 -3.0498 3  941.7519157  58516 303781068      771067        C-13-H3C-13-H2C-13-N
  675837.0790  0.0071 -4.3349 3 1528.9113157  58516 303783048      773047        C-13-H3C-13-H2C-13-N
  675837.0790  0.0071 -4.3349 3 1528.9113157  58516 303783049      773048        C-13-H3C-13-H2C-13-N
  676059.4487  0.0022 -3.1588 3  139.3988 39  58516 3031912 7      1811 8        C-13-H3C-13-H2C-13-N
  676059.4487  0.0022 -3.1588 3  139.3988 39  58516 3031912 8      1811 7        C-13-H3C-13-H2C-13-N
  676195.8658  0.0091 -4.4315 3 1573.0572157  58516 303783147      773146        C-13-H3C-13-H2C-13-N
  676195.8658  0.0091 -4.4315 3 1573.0572157  58516 303783148      773147        C-13-H3C-13-H2C-13-N
  676235.5683  0.1793 -5.5247 3 1065.5556119  58516 303592831      602734        C-13-H3C-13-H2C-13-N
  676235.5683  0.1793 -5.5247 3 1065.5556119  58516 303592832      602733        C-13-H3C-13-H2C-13-N
  676357.3998  0.0048 -4.0342 3  928.5354165  58516 30382 181      81 280        C-13-H3C-13-H2C-13-N
  676357.4454  0.0048 -2.9936 3  928.5354165  58516 30382 281      81 280        C-13-H3C-13-H2C-13-N
  676357.4577  0.0048 -2.9936 3  928.5354165  58516 30382 181      81 180        C-13-H3C-13-H2C-13-N
  676357.5034  0.0048 -4.0342 3  928.5354165  58516 30382 281      81 180        C-13-H3C-13-H2C-13-N
  676521.7222  0.0025 -3.1322 3  133.3544 29  58516 3031413 1      1312 2        C-13-H3C-13-H2C-13-N
  676521.7222  0.0025 -3.1322 3  133.3544 29  58516 3031413 2      1312 1        C-13-H3C-13-H2C-13-N
  676565.2475  0.0101 -5.7352 3  776.4790143  58516 30371 962      71 765        C-13-H3C-13-H2C-13-N
  676568.6472  0.0024 -3.0193 3  928.3206157  58516 30378 970      77 969        C-13-H3C-13-H2C-13-N
  676569.3497  0.0121 -4.5311 3 1618.5334157  58516 303783246      773245        C-13-H3C-13-H2C-13-N
  676569.3497  0.0121 -4.5311 3 1618.5334157  58516 303783247      773246        C-13-H3C-13-H2C-13-N
  676633.6134  0.0092 -5.7066 3  755.9265141  58516 30370 961      70 764        C-13-H3C-13-H2C-13-N
  676767.3328  0.0087 -5.5546 3  295.7474 91  58516 30345 541      45 244        C-13-H3C-13-H2C-13-N
  676800.6179  0.0110 -5.7649 3  797.3140145  58516 30372 963      72 766        C-13-H3C-13-H2C-13-N
  676835.3760  0.0168 -5.2724 3  828.6542149  58516 30374 866      74 569        C-13-H3C-13-H2C-13-N
  676897.2127  0.0026 -2.9931 3  916.5076157  58516 30378 871      77 870        C-13-H3C-13-H2C-13-N
  676956.9675  0.0164 -4.6337 3 1665.3294157  58516 303783345      773344        C-13-H3C-13-H2C-13-N
  676956.9675  0.0164 -4.6337 3 1665.3294157  58516 303783346      773345        C-13-H3C-13-H2C-13-N
  676963.2745  0.0031 -5.3426 3  113.4361 55  58516 30327 622      26 423        C-13-H3C-13-H2C-13-N
  676969.5023  0.0085 -5.6792 3  735.6571139  58516 30369 960      69 763        C-13-H3C-13-H2C-13-N
  677174.4075  0.0038 -4.3578 3  939.7831161  58516 30380 575      79 674        C-13-H3C-13-H2C-13-N
  677302.2374  0.0035 -5.0812 3  178.3008 71  58516 30335 531      34 332        C-13-H3C-13-H2C-13-N
  677358.2142  0.0222 -4.7393 3 1713.4342157  58516 303783444      773443        C-13-H3C-13-H2C-13-N
  677358.2142  0.0222 -4.7393 3 1713.4342157  58516 303783445      773444        C-13-H3C-13-H2C-13-N
  677492.5574  0.1224 -5.3442 3  943.0779109  58516 303542727      552630        C-13-H3C-13-H2C-13-N
  677492.5574  0.1224 -5.3442 3  943.0779109  58516 303542728      552629        C-13-H3C-13-H2C-13-N
  677538.6826  0.0078 -5.6530 3  715.6719137  58516 30368 959      68 762        C-13-H3C-13-H2C-13-N
  677735.5183  0.0060 -4.1946 3  278.5666 89  58516 30344 440      43 341        C-13-H3C-13-H2C-13-N
  677760.3564  0.0018 -3.5383 3  326.4149 93  58516 30346 740      45 639        C-13-H3C-13-H2C-13-N
  677772.6331  0.0300 -4.8478 3 1762.8371157  58516 303783543      773542        C-13-H3C-13-H2C-13-N
  677772.6331  0.0300 -4.8478 3 1762.8371157  58516 303783544      773543        C-13-H3C-13-H2C-13-N
  677785.4328  0.0025 -3.0181 3  928.5080157  58516 30378 969      77 968        C-13-H3C-13-H2C-13-N
  678042.6220  0.0080 -3.9960 3  934.1091167  58516 30383 083      82 182        C-13-H3C-13-H2C-13-N
  678042.6224  0.0080 -2.9971 3  934.1091167  58516 30383 183      82 182        C-13-H3C-13-H2C-13-N
  678042.6226  0.0080 -2.9971 3  934.1091167  58516 30383 083      82 082        C-13-H3C-13-H2C-13-N
  678042.6230  0.0080 -3.9960 3  934.1091167  58516 30383 183      82 082        C-13-H3C-13-H2C-13-N
  678070.8488  0.0026 -2.9862 3  917.1651159  58516 30379 674      78 673        C-13-H3C-13-H2C-13-N
  678079.4594  0.0033 -2.9350 3  887.3498155  58516 30377 770      76 769        C-13-H3C-13-H2C-13-N
  678199.8079  0.0403 -4.9592 3 1813.5268157  58516 303783642      773641        C-13-H3C-13-H2C-13-N
  678199.8079  0.0403 -4.9592 3 1813.5268157  58516 303783643      773642        C-13-H3C-13-H2C-13-N
  678308.9234  0.0072 -5.6279 3  695.9716135  58516 30367 958      67 761        C-13-H3C-13-H2C-13-N
  678460.7589  0.0084 -5.1628 3  626.6317129  58516 30364 856      64 559        C-13-H3C-13-H2C-13-N
  678494.3293  0.0016 -3.3908 3  261.8973 81  58516 30340 833      39 732        C-13-H3C-13-H2C-13-N
  678506.4734  0.0042 -4.2591 3  872.1844155  58516 30377 672      76 571        C-13-H3C-13-H2C-13-N
  678540.1604  0.0016 -3.3907 3  261.8958 81  58516 30340 832      39 733        C-13-H3C-13-H2C-13-N
  678611.5690  0.0104 -5.6096 3  165.6999 71  58516 30335 333      34 134        C-13-H3C-13-H2C-13-N
  678639.3563  0.0538 -5.0736 3 1865.4922157  58516 303783741      773740        C-13-H3C-13-H2C-13-N
  678639.3563  0.0538 -5.0736 3 1865.4922157  58516 303783742      773741        C-13-H3C-13-H2C-13-N
  678666.4842  0.0119 -4.9153 3  175.3419 73  58516 30336 234      35 135        C-13-H3C-13-H2C-13-N
  678692.8479  0.0807 -5.1953 3  829.2324 99  58516 303492623      502526        C-13-H3C-13-H2C-13-N
  678692.8479  0.0807 -5.1953 3  829.2324 99  58516 303492624      502525        C-13-H3C-13-H2C-13-N
  678705.8320  0.0104 -4.9041 3  165.6968 71  58516 30335 333      34 034        C-13-H3C-13-H2C-13-N
  678740.5433  0.0119 -5.6231 3  175.3394 73  58516 30336 234      35 035        C-13-H3C-13-H2C-13-N
  678747.3915  0.0113 -4.6362 3 1021.0028167  58516 30383 677      82 776        C-13-H3C-13-H2C-13-N
  678773.6899  0.0027 -4.2256 3  927.5632161  58516 30380 476      79 575        C-13-H3C-13-H2C-13-N
  679090.9250  0.0710 -5.1909 3 1918.7220157  58516 303783840      773839        C-13-H3C-13-H2C-13-N
  679090.9250  0.0710 -5.1909 3 1918.7220157  58516 303783841      773840        C-13-H3C-13-H2C-13-N
  679109.5707  0.0044 -5.4755 3  549.0189119  58516 30359 951      59 752        C-13-H3C-13-H2C-13-N
  679250.0094  0.0066 -5.6039 3  676.5569133  58516 30366 957      66 760        C-13-H3C-13-H2C-13-N
  679554.1850  0.0931 -5.3110 3 1973.2049157  58516 303783939      773938        C-13-H3C-13-H2C-13-N
  679554.1850  0.0931 -5.3110 3 1973.2049157  58516 303783940      773939        C-13-H3C-13-H2C-13-N
  679644.3034  0.0050 -5.4325 3  239.2268 79  58516 30339 732      39 435        C-13-H3C-13-H2C-13-N
  679687.1033  0.0028 -2.9999 3  927.5632161  58516 30380 576      79 575        C-13-H3C-13-H2C-13-N
  679827.2631  0.0510 -5.0837 3  724.0281 89  58516 303442519      452422        C-13-H3C-13-H2C-13-N
  679827.2631  0.0510 -5.0837 3  724.0281 89  58516 303442520      452421        C-13-H3C-13-H2C-13-N
  679840.6472  0.0026 -2.9830 3  916.7556159  58516 30379 574      78 573        C-13-H3C-13-H2C-13-N
  679873.8614  0.0028 -2.9996 3  927.5265161  58516 30380 476      79 475        C-13-H3C-13-H2C-13-N
  680028.8292  0.1210 -5.4341 3 2028.9292157  58516 303784038      774037        C-13-H3C-13-H2C-13-N
  680028.8292  0.1210 -5.4341 3 2028.9292157  58516 303784039      774038        C-13-H3C-13-H2C-13-N
  680333.7530  0.0062 -5.5810 3  657.4286131  58516 30365 956      65 759        C-13-H3C-13-H2C-13-N
  680360.8473  0.0118 -5.4298 3  478.4910115  58516 30357 552      57 255        C-13-H3C-13-H2C-13-N
  680514.5686  0.1560 -5.5600 3 2085.8834157  58516 303784137      774136        C-13-H3C-13-H2C-13-N
  680514.5686  0.1560 -5.5600 3 2085.8834157  58516 303784138      774137        C-13-H3C-13-H2C-13-N
  680654.8526  0.0058 -5.3154 3  316.9274 93  58516 30346 641      46 344        C-13-H3C-13-H2C-13-N
  680787.2748  0.0029 -4.2229 3  927.5265161  58516 30380 576      79 475        C-13-H3C-13-H2C-13-N
  680886.5607  0.0305 -5.0186 3  627.4725 79  58516 303392415      402318        C-13-H3C-13-H2C-13-N
  680886.5607  0.0305 -5.0186 3  627.4725 79  58516 303392416      402317        C-13-H3C-13-H2C-13-N
  681011.1311  0.1997 -5.6889 3 2144.0556157  58516 303784236      774235        C-13-H3C-13-H2C-13-N
  681011.1311  0.1997 -5.6889 3 2144.0556157  58516 303784237      774236        C-13-H3C-13-H2C-13-N
  681040.0686  0.0034 -4.8368 3  148.6121 65  58516 30332 528      31 229        C-13-H3C-13-H2C-13-N
  681061.7647  0.0031 -5.3079 3  121.3965 57  58516 30328 622      27 423        C-13-H3C-13-H2C-13-N
  681097.4900  0.0031 -4.1588 3  936.6168163  58516 30381 378      80 477        C-13-H3C-13-H2C-13-N
  681147.8028  0.0031 -3.0110 3  936.6168163  58516 30381 478      80 477        C-13-H3C-13-H2C-13-N
  681159.3795  0.0031 -3.0110 3  936.6147163  58516 30381 378      80 377        C-13-H3C-13-H2C-13-N
  681209.6923  0.0031 -4.1586 3  936.6147163  58516 30381 478      80 377        C-13-H3C-13-H2C-13-N
  681438.1353  0.0016 -3.2989 3  219.5032 71  58516 30335 927      34 826        C-13-H3C-13-H2C-13-N
  681438.3469  0.0016 -3.2989 3  219.5032 71  58516 30335 926      34 827        C-13-H3C-13-H2C-13-N
  681477.3968  0.0051 -3.9444 3  337.9279 97  58516 30348 543      47 444        C-13-H3C-13-H2C-13-N
  681516.9534  0.0038 -4.7192 3  310.0108 93  58516 30346 541      45 342        C-13-H3C-13-H2C-13-N
  681534.0011  0.0057 -5.5592 3  638.5874129  58516 30364 955      64 758        C-13-H3C-13-H2C-13-N
  681564.4079  0.0026 -3.3866 3 1103.1968159  58516 303791762      781761        C-13-H3C-13-H2C-13-N
  681564.4079  0.0026 -3.3866 3 1103.1968159  58516 303791763      781762        C-13-H3C-13-H2C-13-N
  681587.9414  0.0025 -3.3332 3 1078.7527159  58516 303791663      781662        C-13-H3C-13-H2C-13-N
  681587.9414  0.0025 -3.3332 3 1078.7527159  58516 303791664      781663        C-13-H3C-13-H2C-13-N
  681595.9606  0.0027 -3.4431 3 1129.1188159  58516 303791861      781860        C-13-H3C-13-H2C-13-N
  681595.9606  0.0027 -3.4431 3 1129.1188159  58516 303791862      781861        C-13-H3C-13-H2C-13-N
  681673.4912  0.0029 -3.5028 3 1156.5063159  58516 303791960      781959        C-13-H3C-13-H2C-13-N
  681673.4912  0.0029 -3.5028 3 1156.5063159  58516 303791961      781960        C-13-H3C-13-H2C-13-N
  681679.1284  0.0024 -3.2831 3 1055.8012159  58516 303791565      781564        C-13-H3C-13-H2C-13-N
  681679.1285  0.0024 -3.2831 3 1055.8012159  58516 303791564      781563        C-13-H3C-13-H2C-13-N
  681790.2290  0.0031 -3.5656 3 1185.3476159  58516 303792059      782058        C-13-H3C-13-H2C-13-N
  681790.2290  0.0031 -3.5656 3 1185.3476159  58516 303792060      782059        C-13-H3C-13-H2C-13-N
  681848.5857  0.0018 -3.5345 3  326.2916 93  58516 30346 739      45 640        C-13-H3C-13-H2C-13-N
  681855.8512  0.0024 -3.2361 3 1034.3594159  58516 303791466      781465        C-13-H3C-13-H2C-13-N
  681855.8553  0.0024 -3.2361 3 1034.3594159  58516 303791465      781464        C-13-H3C-13-H2C-13-N
  681861.5347  0.0171 -5.0176 3  539.5725 69  58516 303342311      352214        C-13-H3C-13-H2C-13-N
  681861.5347  0.0171 -5.0176 3  539.5725 69  58516 303342312      352213        C-13-H3C-13-H2C-13-N
  681941.0311  0.0033 -3.6315 3 1215.6319159  58516 303792158      782157        C-13-H3C-13-H2C-13-N
  681941.0311  0.0033 -3.6315 3 1215.6319159  58516 303792159      782158        C-13-H3C-13-H2C-13-N
  682077.8776  0.0028 -2.9574 3  903.2317157  58516 30378 672      77 671        C-13-H3C-13-H2C-13-N
  682121.9170  0.0035 -3.7006 3 1247.3489159  58516 303792257      782256        C-13-H3C-13-H2C-13-N
  682121.9170  0.0035 -3.7006 3 1247.3489159  58516 303792258      782257        C-13-H3C-13-H2C-13-N
  682144.5429  0.0023 -3.1923 3 1014.4489159  58516 303791367      781366        C-13-H3C-13-H2C-13-N
  682144.6255  0.0023 -3.1923 3 1014.4489159  58516 303791366      781365        C-13-H3C-13-H2C-13-N
  682321.4152  0.0042 -5.4586 3  531.8540117  58516 30358 950      58 751        C-13-H3C-13-H2C-13-N
  682329.7538  0.0038 -3.7728 3 1280.4884159  58516 303792356      782355        C-13-H3C-13-H2C-13-N
  682329.7538  0.0038 -3.7728 3 1280.4884159  58516 303792357      782356        C-13-H3C-13-H2C-13-N
  682455.7032  0.0129 -5.7537 3 1709.5491207  58516 303A31687      A31588        C-13-H3C-13-H2C-13-N
  682456.5728  0.0129 -5.7537 3 1709.5490207  58516 303A31688      A31589        C-13-H3C-13-H2C-13-N
  682562.0377  0.0041 -3.8480 3 1315.0404159  58516 303792455      782454        C-13-H3C-13-H2C-13-N
  682562.0377  0.0041 -3.8480 3 1315.0404159  58516 303792456      782455        C-13-H3C-13-H2C-13-N
  682585.9297  0.0022 -3.1518 3  996.0989159  58516 303791268      781267        C-13-H3C-13-H2C-13-N
  682587.2922  0.0022 -3.1518 3  996.0991159  58516 303791267      781266        C-13-H3C-13-H2C-13-N
  682660.1973  0.0034 -2.9882 3  917.7104157  58516 30378 870      77 869        C-13-H3C-13-H2C-13-N
  682733.3620  0.0037 -4.1078 3  944.4213165  58516 30382 280      81 379        C-13-H3C-13-H2C-13-N
  682735.1228  0.0037 -3.0194 3  944.4213165  58516 30382 380      81 379        C-13-H3C-13-H2C-13-N
  682735.5649  0.0037 -3.0194 3  944.4213165  58516 30382 280      81 279        C-13-H3C-13-H2C-13-N
  682737.3257  0.0037 -4.1078 3  944.4213165  58516 30382 380      81 279        C-13-H3C-13-H2C-13-N
  682743.1297  0.0091 -5.1202 3  460.3338 59  58516 3032922 7      302110        C-13-H3C-13-H2C-13-N
  682743.1297  0.0091 -5.1202 3  460.3338 59  58516 3032922 8      3021 9        C-13-H3C-13-H2C-13-N
  682816.7395  0.0043 -3.9264 3 1350.9950159  58516 303792554      782553        C-13-H3C-13-H2C-13-N
  682816.7395  0.0043 -3.9264 3 1350.9950159  58516 303792555      782554        C-13-H3C-13-H2C-13-N
  682826.6346  0.0054 -5.5385 3  620.0339127  58516 30363 954      63 757        C-13-H3C-13-H2C-13-N
  682844.8105  0.0126 -5.6969 3 1679.9983205  58516 303A21686      A21587        C-13-H3C-13-H2C-13-N
  682845.4798  0.0126 -5.6969 3 1679.9983205  58516 303A21687      A21588        C-13-H3C-13-H2C-13-N
  683047.0424  0.0016 -3.2328 3  185.9144 61  58516 303301021      29 920        C-13-H3C-13-H2C-13-N
  683047.0427  0.0016 -3.2328 3  185.9144 61  58516 303301020      29 921        C-13-H3C-13-H2C-13-N
  683092.1924  0.0046 -4.0078 3 1388.3421159  58516 303792653      782652        C-13-H3C-13-H2C-13-N
  683092.1924  0.0046 -4.0078 3 1388.3421159  58516 303792654      782653        C-13-H3C-13-H2C-13-N
  683141.3959  0.0027 -3.0033 3  928.2053159  58516 30379 773      78 772        C-13-H3C-13-H2C-13-N
  683217.3176  0.0123 -5.6407 3 1650.7300203  58516 303A11685      A11586        C-13-H3C-13-H2C-13-N
  683217.8310  0.0123 -5.6407 3 1650.7300203  58516 303A11686      A11587        C-13-H3C-13-H2C-13-N
  683239.8506  0.2556 -5.7014 3 1177.8483127  58516 303632934      642837        C-13-H3C-13-H2C-13-N
  683239.8506  0.2556 -5.7014 3 1177.8483127  58516 303632935      642836        C-13-H3C-13-H2C-13-N
  683242.3498  0.0022 -3.1144 3  979.3512159  58516 303791169      781168        C-13-H3C-13-H2C-13-N
  683242.5438  0.0117 -5.3304 3  609.5411129  58516 30364 658      64 361        C-13-H3C-13-H2C-13-N
  683260.5848  0.0022 -3.1144 3  979.3533159  58516 303791168      781167        C-13-H3C-13-H2C-13-N
  683387.0100  0.0049 -4.0922 3 1427.0718159  58516 303792752      782751        C-13-H3C-13-H2C-13-N
  683387.0100  0.0049 -4.0922 3 1427.0718159  58516 303792753      782752        C-13-H3C-13-H2C-13-N
  683415.7138  0.0187 -5.3060 3  850.2893151  58516 30375 867      75 570        C-13-H3C-13-H2C-13-N
  683522.5689  0.0056 -5.4493 3  389.7610 49  58516 3032421 3      2520 6        C-13-H3C-13-H2C-13-N
  683522.5689  0.0056 -5.4493 3  389.7610 49  58516 3032421 4      2520 5        C-13-H3C-13-H2C-13-N
  683573.6475  0.0121 -5.5851 3 1621.7443201  58516 303A01684      A01585        C-13-H3C-13-H2C-13-N
  683574.0399  0.0121 -5.5851 3 1621.7443201  58516 303A01685      A01586        C-13-H3C-13-H2C-13-N
  683696.6249  0.0076 -4.4952 3  224.3700 81  58516 30340 337      39 238        C-13-H3C-13-H2C-13-N
  683700.0256  0.0054 -4.1797 3 1467.1740159  58516 303792851      782850        C-13-H3C-13-H2C-13-N
  683700.0256  0.0054 -4.1797 3 1467.1740159  58516 303792852      782851        C-13-H3C-13-H2C-13-N
  683914.2129  0.0118 -5.5302 3 1593.0413199  58516 303991683      991584        C-13-H3C-13-H2C-13-N
  683914.5119  0.0118 -5.5302 3 1593.0413199  58516 303991684      991585        C-13-H3C-13-H2C-13-N
  684030.2456  0.0063 -4.2703 3 1508.6385159  58516 303792950      782949        C-13-H3C-13-H2C-13-N
  684030.2456  0.0063 -4.2703 3 1508.6385159  58516 303792951      782950        C-13-H3C-13-H2C-13-N
  684059.5367  0.0018 -3.1864 3  161.0530 51  58516 303251114      241015        C-13-H3C-13-H2C-13-N
  684059.5367  0.0018 -3.1864 3  161.0530 51  58516 303251115      241014        C-13-H3C-13-H2C-13-N
  684138.8590  0.0081 -5.1705 3  607.8834127  58516 30363 855      63 558        C-13-H3C-13-H2C-13-N
  684176.6980  0.0023 -3.0804 3  964.2647159  58516 303791070      781069        C-13-H3C-13-H2C-13-N
  684189.5604  0.0050 -5.5188 3  601.7687125  58516 30362 953      62 756        C-13-H3C-13-H2C-13-N
  684199.1012  0.0056 -4.9037 3  278.3510 89  58516 30344 440      43 241        C-13-H3C-13-H2C-13-N
  684239.4167  0.0115 -5.4760 3 1564.6212197  58516 303981682      981583        C-13-H3C-13-H2C-13-N
  684239.6437  0.0115 -5.4760 3 1564.6212197  58516 303981683      981584        C-13-H3C-13-H2C-13-N
  684290.5807  0.0041 -4.2825 3  894.3396157  58516 30378 673      77 572        C-13-H3C-13-H2C-13-N
  684367.2946  0.0023 -3.0802 3  964.2897159  58516 303791069      781068        C-13-H3C-13-H2C-13-N
  684376.8147  0.0077 -4.3638 3 1551.4548159  58516 303793049      783048        C-13-H3C-13-H2C-13-N
  684376.8147  0.0077 -4.3638 3 1551.4548159  58516 303793050      783049        C-13-H3C-13-H2C-13-N
  684398.6259  0.0049 -4.0652 3  951.0963167  58516 30383 182      82 281        C-13-H3C-13-H2C-13-N
  684398.6619  0.0049 -3.0253 3  951.0963167  58516 30383 282      82 281        C-13-H3C-13-H2C-13-N
  684398.6716  0.0049 -3.0253 3  951.0963167  58516 30383 182      82 181        C-13-H3C-13-H2C-13-N
  684398.7076  0.0049 -4.0652 3  951.0963167  58516 30383 282      82 181        C-13-H3C-13-H2C-13-N
  684549.6528  0.0112 -5.4224 3 1536.4840195  58516 303971681      971582        C-13-H3C-13-H2C-13-N
  684549.8245  0.0112 -5.4224 3 1536.4840195  58516 303971682      971583        C-13-H3C-13-H2C-13-N
  684588.5872  0.1793 -5.4980 3 1048.1910117  58516 303582830      592733        C-13-H3C-13-H2C-13-N
  684588.5872  0.1793 -5.4980 3 1048.1910117  58516 303582831      592732        C-13-H3C-13-H2C-13-N
  684671.9716  0.0075 -5.1979 3  224.3375 81  58516 30340 337      39 138        C-13-H3C-13-H2C-13-N
  684738.9886  0.0099 -4.4603 3 1595.6126159  58516 303793148      783147        C-13-H3C-13-H2C-13-N
  684738.9886  0.0099 -4.4603 3 1595.6126159  58516 303793149      783148        C-13-H3C-13-H2C-13-N
  684744.4736  0.0021 -3.1542 3  144.8857 41  58516 3032012 8      1911 9        C-13-H3C-13-H2C-13-N
  684744.4736  0.0021 -3.1542 3  144.8857 41  58516 3032012 9      1911 8        C-13-H3C-13-H2C-13-N
  684845.3060  0.0109 -5.3694 3 1508.6300193  58516 303961680      961581        C-13-H3C-13-H2C-13-N
  684845.4354  0.0109 -5.3694 3 1508.6300193  58516 303961681      961582        C-13-H3C-13-H2C-13-N
  684916.2212  0.0019 -3.5544 3  339.7879 95  58516 30347 741      46 640        C-13-H3C-13-H2C-13-N
  685116.1130  0.0132 -4.5598 3 1641.1014159  58516 303793247      783246        C-13-H3C-13-H2C-13-N
  685116.1130  0.0132 -4.5598 3 1641.1014159  58516 303793248      783247        C-13-H3C-13-H2C-13-N
  685126.7532  0.0106 -5.3172 3 1481.0591191  58516 303951679      951580        C-13-H3C-13-H2C-13-N
  685126.8504  0.0106 -5.3172 3 1481.0591191  58516 303951680      951581        C-13-H3C-13-H2C-13-N
  685209.5640  0.0025 -3.1280 3  137.3983 31  58516 3031513 2      1412 3        C-13-H3C-13-H2C-13-N
  685209.5640  0.0025 -3.1280 3  137.3983 31  58516 3031513 3      1412 2        C-13-H3C-13-H2C-13-N
  685219.1983  0.0030 -5.3056 3  121.2573 57  58516 30328 623      27 424        C-13-H3C-13-H2C-13-N
  685232.9876  0.0025 -3.0499 3  950.8885159  58516 30379 971      78 970        C-13-H3C-13-H2C-13-N
  685234.6477  0.0040 -5.4430 3  514.9891115  58516 30357 949      57 750        C-13-H3C-13-H2C-13-N
  685394.3633  0.0102 -5.2655 3 1453.7716189  58516 303941678      941579        C-13-H3C-13-H2C-13-N
  685394.4360  0.0102 -5.2655 3 1453.7716189  58516 303941679      941580        C-13-H3C-13-H2C-13-N
  685430.7510  0.0027 -3.0239 3  939.0864159  58516 30379 872      78 871        C-13-H3C-13-H2C-13-N
  685507.6073  0.0179 -4.6623 3 1687.9102159  58516 303793346      783345        C-13-H3C-13-H2C-13-N
  685507.6073  0.0179 -4.6623 3 1687.9102159  58516 303793347      783346        C-13-H3C-13-H2C-13-N
  685602.6919  0.0047 -5.5003 3  583.7923123  58516 30361 952      61 755        C-13-H3C-13-H2C-13-N
  685648.4977  0.0098 -5.2146 3 1426.7676187  58516 303931677      931578        C-13-H3C-13-H2C-13-N
  685648.5519  0.0098 -5.2146 3 1426.7676187  58516 303931678      931579        C-13-H3C-13-H2C-13-N
  685867.7035  0.0050 -5.4699 3  227.7360 77  58516 30338 731      38 434        C-13-H3C-13-H2C-13-N
  685886.9493  0.1224 -5.3236 3  927.1575107  58516 303532726      542629        C-13-H3C-13-H2C-13-N
  685886.9493  0.1224 -5.3236 3  927.1575107  58516 303532727      542628        C-13-H3C-13-H2C-13-N
  685889.5109  0.0095 -5.1643 3 1400.0471185  58516 303921676      921577        C-13-H3C-13-H2C-13-N
  685889.5511  0.0095 -5.1643 3 1400.0471185  58516 303921677      921578        C-13-H3C-13-H2C-13-N
  685912.9511  0.0241 -4.7677 3 1736.0285159  58516 303793445      783444        C-13-H3C-13-H2C-13-N
  685912.9511  0.0241 -4.7677 3 1736.0285159  58516 303793446      783445        C-13-H3C-13-H2C-13-N
  685984.6129  0.0032 -4.3781 3  206.2947 33  58516 3031616 0      1615 1        C-13-H3C-13-H2C-13-N
  685984.6129  0.0032 -4.3781 3  206.2947 33  58516 3031616 1      1615 2        C-13-H3C-13-H2C-13-N
  686028.6995  0.0031 -4.0993 3  211.2086 35  58516 3031716 1      1715 2        C-13-H3C-13-H2C-13-N
  686028.6995  0.0031 -4.0993 3  211.2086 35  58516 3031716 2      1715 3        C-13-H3C-13-H2C-13-N
  686074.9499  0.0030 -3.9451 3  216.4115 37  58516 3031816 2      1815 3        C-13-H3C-13-H2C-13-N
  686074.9499  0.0030 -3.9451 3  216.4115 37  58516 3031816 3      1815 4        C-13-H3C-13-H2C-13-N
  686085.4151  0.0081 -4.0277 3  956.7262169  58516 30384 084      83 183        C-13-H3C-13-H2C-13-N
  686085.4154  0.0081 -3.0290 3  956.7262169  58516 30384 184      83 183        C-13-H3C-13-H2C-13-N
  686085.4155  0.0081 -3.0290 3  956.7262169  58516 30384 084      83 083        C-13-H3C-13-H2C-13-N
  686085.4159  0.0081 -4.0277 3  956.7262169  58516 30384 184      83 083        C-13-H3C-13-H2C-13-N
  686117.7504  0.0091 -5.1146 3 1373.6104183  58516 303911675      911576        C-13-H3C-13-H2C-13-N
  686117.7801  0.0091 -5.1146 3 1373.6104183  58516 303911676      911577        C-13-H3C-13-H2C-13-N
  686123.2910  0.0030 -3.8416 3  221.9032 39  58516 3031916 3      1915 4        C-13-H3C-13-H2C-13-N
  686123.2910  0.0030 -3.8416 3  221.9032 39  58516 3031916 4      1915 5        C-13-H3C-13-H2C-13-N
  686146.2005  0.0027 -3.0178 3  939.7831161  58516 30380 675      79 674        C-13-H3C-13-H2C-13-N
  686173.6460  0.0029 -3.7660 3  227.6839 41  58516 3032016 4      2015 5        C-13-H3C-13-H2C-13-N
  686173.6460  0.0029 -3.7660 3  227.6839 41  58516 3032016 5      2015 6        C-13-H3C-13-H2C-13-N
  686225.9341  0.0028 -3.7080 3  233.7534 43  58516 3032116 5      2115 6        C-13-H3C-13-H2C-13-N
  686225.9341  0.0028 -3.7080 3  233.7534 43  58516 3032116 6      2115 7        C-13-H3C-13-H2C-13-N
  686280.0708  0.0027 -3.6623 3  240.1117 45  58516 3032216 6      2215 7        C-13-H3C-13-H2C-13-N
  686280.0708  0.0027 -3.6623 3  240.1117 45  58516 3032216 7      2215 8        C-13-H3C-13-H2C-13-N
  686331.6744  0.0324 -4.8760 3 1785.4451159  58516 303793544      783543        C-13-H3C-13-H2C-13-N
  686331.6744  0.0324 -4.8760 3 1785.4451159  58516 303793545      783544        C-13-H3C-13-H2C-13-N
  686333.5573  0.0087 -5.0657 3 1347.4574181  58516 303901674      901575        C-13-H3C-13-H2C-13-N
  686333.5792  0.0087 -5.0657 3 1347.4574181  58516 303901675      901576        C-13-H3C-13-H2C-13-N
  686335.9676  0.0027 -3.6255 3  246.7589 47  58516 3032316 7      2315 8        C-13-H3C-13-H2C-13-N
  686335.9676  0.0027 -3.6255 3  246.7589 47  58516 3032316 8      2315 9        C-13-H3C-13-H2C-13-N
  686393.5325  0.0026 -3.5956 3  253.6948 49  58516 3032416 8      2415 9        C-13-H3C-13-H2C-13-N
  686393.5325  0.0026 -3.5956 3  253.6948 49  58516 3032416 9      241510        C-13-H3C-13-H2C-13-N
  686452.6696  0.0025 -3.5712 3  260.9195 51  58516 3032516 9      251510        C-13-H3C-13-H2C-13-N
  686452.6696  0.0025 -3.5712 3  260.9195 51  58516 303251610      251511        C-13-H3C-13-H2C-13-N
  686513.2794  0.0025 -3.5514 3  268.4329 53  58516 303261610      261511        C-13-H3C-13-H2C-13-N
  686513.2794  0.0025 -3.5514 3  268.4329 53  58516 303261611      261512        C-13-H3C-13-H2C-13-N
  686537.2666  0.0083 -5.0173 3 1321.5884179  58516 303891673      891574        C-13-H3C-13-H2C-13-N
  686537.2827  0.0083 -5.0173 3 1321.5884179  58516 303891674      891575        C-13-H3C-13-H2C-13-N
  686566.4818  0.0037 -4.3799 3  962.6705163  58516 30381 576      80 675        C-13-H3C-13-H2C-13-N
  686575.2585  0.0024 -3.5354 3  276.2350 55  58516 303271611      271512        C-13-H3C-13-H2C-13-N
  686575.2585  0.0024 -3.5354 3  276.2350 55  58516 303271612      271513        C-13-H3C-13-H2C-13-N
  686638.5001  0.0024 -3.5227 3  284.3258 57  58516 303281612      281513        C-13-H3C-13-H2C-13-N
  686638.5001  0.0024 -3.5227 3  284.3258 57  58516 303281613      281514        C-13-H3C-13-H2C-13-N
  686676.0056  0.0027 -3.0485 3  951.1165159  58516 30379 970      78 969        C-13-H3C-13-H2C-13-N
  686702.8936  0.0023 -3.5129 3  292.7051 59  58516 303291613      291514        C-13-H3C-13-H2C-13-N
  686702.8936  0.0023 -3.5129 3  292.7051 59  58516 303291614      291515        C-13-H3C-13-H2C-13-N
  686729.2072  0.0079 -4.9697 3 1296.0035177  58516 303881672      881573        C-13-H3C-13-H2C-13-N
  686729.2190  0.0079 -4.9697 3 1296.0035177  58516 303881673      881574        C-13-H3C-13-H2C-13-N
  686763.3488  0.0433 -4.9873 3 1836.1491159  58516 303793643      783642        C-13-H3C-13-H2C-13-N
  686763.3488  0.0433 -4.9873 3 1836.1491159  58516 303793644      783643        C-13-H3C-13-H2C-13-N
  686768.3250  0.0023 -3.5056 3  301.3731 61  58516 303301614      301515        C-13-H3C-13-H2C-13-N
  686768.3250  0.0023 -3.5056 3  301.3731 61  58516 303301615      301516        C-13-H3C-13-H2C-13-N
  686815.6608  0.0033 -2.9656 3  909.9681157  58516 30378 771      77 770        C-13-H3C-13-H2C-13-N
  686828.3420  0.0016 -3.3995 3  273.4714 83  58516 30341 834      40 733        C-13-H3C-13-H2C-13-N
  686834.6765  0.0022 -3.5005 3  310.3296 63  58516 303311615      311516        C-13-H3C-13-H2C-13-N
  686834.6765  0.0022 -3.5005 3  310.3296 63  58516 303311616      311517        C-13-H3C-13-H2C-13-N
  686893.0619  0.0016 -3.3994 3  273.4693 83  58516 30341 833      40 734        C-13-H3C-13-H2C-13-N
  686901.8271  0.0022 -3.4975 3  319.5747 65  58516 303321616      321517        C-13-H3C-13-H2C-13-N
  686901.8271  0.0022 -3.4975 3  319.5747 65  58516 303321617      321518        C-13-H3C-13-H2C-13-N
  686909.7024  0.0075 -4.9227 3 1270.7027175  58516 303871671      871572        C-13-H3C-13-H2C-13-N
  686909.7109  0.0075 -4.9227 3 1270.7027175  58516 303871672      871573        C-13-H3C-13-H2C-13-N
  686954.7712  0.0028 -4.2527 3  950.2352163  58516 30381 477      80 576        C-13-H3C-13-H2C-13-N
  686969.6520  0.0022 -3.4964 3  329.1082 67  58516 303331617      331518        C-13-H3C-13-H2C-13-N
  686969.6520  0.0022 -3.4964 3  329.1082 67  58516 303331618      331519        C-13-H3C-13-H2C-13-N
  687038.0231  0.0022 -3.4969 3  338.9302 69  58516 303341618      341519        C-13-H3C-13-H2C-13-N
  687038.0231  0.0022 -3.4969 3  338.9302 69  58516 303341619      341520        C-13-H3C-13-H2C-13-N
  687047.9179  0.0045 -5.4828 3  566.1052121  58516 30360 951      60 754        C-13-H3C-13-H2C-13-N
  687079.0699  0.0072 -4.8764 3 1245.6862173  58516 303861670      861571        C-13-H3C-13-H2C-13-N
  687079.0760  0.0072 -4.8764 3 1245.6862173  58516 303861671      861572        C-13-H3C-13-H2C-13-N
  687106.8089  0.0022 -3.4991 3  349.0405 71  58516 303351619      351520        C-13-H3C-13-H2C-13-N
  687106.8089  0.0022 -3.4991 3  349.0405 71  58516 303351620      351521        C-13-H3C-13-H2C-13-N
  687125.8685  0.0807 -5.1821 3  814.7576 97  58516 303482622      492525        C-13-H3C-13-H2C-13-N
  687125.8685  0.0807 -5.1821 3  814.7576 97  58516 303482623      492524        C-13-H3C-13-H2C-13-N
  687125.9545  0.0032 -3.7352 3  373.3564101  58516 30350 644      49 545        C-13-H3C-13-H2C-13-N
  687175.8745  0.0022 -3.5028 3  359.4392 73  58516 303361620      361521        C-13-H3C-13-H2C-13-N
  687175.8745  0.0022 -3.5028 3  359.4392 73  58516 303361621      361522        C-13-H3C-13-H2C-13-N
  687207.5812  0.0573 -5.1015 3 1888.1292159  58516 303793742      783741        C-13-H3C-13-H2C-13-N
  687207.5812  0.0573 -5.1015 3 1888.1292159  58516 303793743      783742        C-13-H3C-13-H2C-13-N
  687237.6221  0.0068 -4.8307 3 1220.9540171  58516 303851669      851570        C-13-H3C-13-H2C-13-N
  687237.6265  0.0068 -4.8307 3 1220.9540171  58516 303851670      851571        C-13-H3C-13-H2C-13-N
  687245.0815  0.0021 -3.5079 3  370.1262 75  58516 303371621      371522        C-13-H3C-13-H2C-13-N
  687245.0815  0.0021 -3.5079 3  370.1262 75  58516 303371622      371523        C-13-H3C-13-H2C-13-N
  687314.2884  0.0021 -3.5144 3  381.1015 77  58516 303381622      381523        C-13-H3C-13-H2C-13-N
  687314.2884  0.0021 -3.5144 3  381.1015 77  58516 303381623      381524        C-13-H3C-13-H2C-13-N
  687383.3502  0.0021 -3.5221 3  392.3650 79  58516 303391623      391524        C-13-H3C-13-H2C-13-N
  687383.3502  0.0021 -3.5221 3  392.3650 79  58516 303391624      391525        C-13-H3C-13-H2C-13-N
  687385.6664  0.0065 -4.7858 3 1196.5064169  58516 303841668      841569        C-13-H3C-13-H2C-13-N
  687385.6696  0.0065 -4.7858 3 1196.5064169  58516 303841669      841570        C-13-H3C-13-H2C-13-N
  687452.1187  0.0022 -3.5310 3  403.9166 81  58516 303401624      401525        C-13-H3C-13-H2C-13-N
  687452.1187  0.0022 -3.5310 3  403.9166 81  58516 303401625      401526        C-13-H3C-13-H2C-13-N
  687520.4425  0.0022 -3.5411 3  415.7564 83  58516 303411625      411526        C-13-H3C-13-H2C-13-N
  687520.4425  0.0022 -3.5411 3  415.7564 83  58516 303411626      411527        C-13-H3C-13-H2C-13-N
  687523.5054  0.0062 -4.7415 3 1172.3434167  58516 303831667      831568        C-13-H3C-13-H2C-13-N
  687523.5076  0.0062 -4.7415 3 1172.3434167  58516 303831668      831569        C-13-H3C-13-H2C-13-N
  687588.1669  0.0022 -3.5523 3  427.8843 85  58516 303421626      421527        C-13-H3C-13-H2C-13-N
  687588.1669  0.0022 -3.5523 3  427.8843 85  58516 303421627      421528        C-13-H3C-13-H2C-13-N
  687651.4365  0.0059 -4.6978 3 1148.4651165  58516 303821666      821567        C-13-H3C-13-H2C-13-N
  687651.4381  0.0059 -4.6978 3 1148.4651165  58516 303821667      821568        C-13-H3C-13-H2C-13-N
  687655.1342  0.0022 -3.5646 3  440.3001 87  58516 303431627      431528        C-13-H3C-13-H2C-13-N
  687655.1342  0.0022 -3.5646 3  440.3001 87  58516 303431628      431529        C-13-H3C-13-H2C-13-N
  687664.0084  0.0753 -5.2185 3 1941.3741159  58516 303793841      783840        C-13-H3C-13-H2C-13-N
  687664.0084  0.0753 -5.2185 3 1941.3741159  58516 303793842      783841        C-13-H3C-13-H2C-13-N
  687682.6715  0.0027 -3.0151 3  939.4326161  58516 30380 575      79 574        C-13-H3C-13-H2C-13-N
  687712.2958  0.0029 -3.0317 3  950.2352163  58516 30381 577      80 576        C-13-H3C-13-H2C-13-N
  687721.1832  0.0022 -3.5779 3  453.0039 89  58516 303441628      441529        C-13-H3C-13-H2C-13-N
  687721.1832  0.0022 -3.5779 3  453.0039 89  58516 303441629      441530        C-13-H3C-13-H2C-13-N
  687769.7530  0.0056 -4.6549 3 1124.8716163  58516 303811665      811566        C-13-H3C-13-H2C-13-N
  687769.7542  0.0056 -4.6549 3 1124.8716163  58516 303811666      811567        C-13-H3C-13-H2C-13-N
  687786.1500  0.0022 -3.5923 3  465.9957 91  58516 303451629      451530        C-13-H3C-13-H2C-13-N
  687786.1500  0.0022 -3.5923 3  465.9957 91  58516 303451630      451531        C-13-H3C-13-H2C-13-N
  687849.8672  0.0022 -3.6076 3  479.2753 93  58516 303461630      461531        C-13-H3C-13-H2C-13-N
  687849.8672  0.0022 -3.6076 3  479.2753 93  58516 303461631      461532        C-13-H3C-13-H2C-13-N
  687868.1846  0.0029 -3.0315 3  950.2047163  58516 30381 477      80 476        C-13-H3C-13-H2C-13-N
  687877.4584  0.0039 -5.4288 3  498.4230113  58516 30356 948      56 749        C-13-H3C-13-H2C-13-N
  687878.7435  0.0053 -4.6126 3 1101.5631161  58516 303801664      801565        C-13-H3C-13-H2C-13-N
  687878.7443  0.0053 -4.6126 3 1101.5631161  58516 303801665      801566        C-13-H3C-13-H2C-13-N
  687912.1645  0.0022 -3.6239 3  492.8426 95  58516 303471631      471532        C-13-H3C-13-H2C-13-N
  687912.1645  0.0022 -3.6239 3  492.8426 95  58516 303471632      471533        C-13-H3C-13-H2C-13-N
  687969.7896  0.0267 -5.0408 3 1180.3957179  58516 30389 782      88 881        C-13-H3C-13-H2C-13-N
  687972.8686  0.0023 -3.6411 3  506.6977 97  58516 303481632      481533        C-13-H3C-13-H2C-13-N
  687972.8686  0.0023 -3.6411 3  506.6977 97  58516 303481633      481534        C-13-H3C-13-H2C-13-N
  687978.6922  0.0051 -4.5710 3 1078.5396159  58516 303791663      791564        C-13-H3C-13-H2C-13-N
  687978.6928  0.0051 -4.5710 3 1078.5396159  58516 303791664      791565        C-13-H3C-13-H2C-13-N
  688005.4853  0.0033 -4.7694 3  157.9430 67  58516 30333 529      32 230        C-13-H3C-13-H2C-13-N
  688031.8029  0.0023 -3.6592 3  520.8405 99  58516 303491633      491534        C-13-H3C-13-H2C-13-N
  688031.8029  0.0023 -3.6592 3  520.8405 99  58516 303491634      491535        C-13-H3C-13-H2C-13-N
  688057.0982  0.0031 -5.2737 3  129.5505 59  58516 30329 623      28 424        C-13-H3C-13-H2C-13-N
  688069.8794  0.0049 -4.5301 3 1055.8012157  58516 303781662      781563        C-13-H3C-13-H2C-13-N
  688069.8798  0.0049 -4.5301 3 1055.8012157  58516 303781663      781564        C-13-H3C-13-H2C-13-N
  688088.7880  0.0023 -3.6782 3  535.2709101  58516 303501634      501535        C-13-H3C-13-H2C-13-N
  688088.7880  0.0023 -3.6782 3  535.2709101  58516 303501635      501536        C-13-H3C-13-H2C-13-N
  688132.2926  0.0982 -5.3385 3 1995.8724159  58516 303793940      783939        C-13-H3C-13-H2C-13-N
  688132.2926  0.0982 -5.3385 3 1995.8724159  58516 303793941      783940        C-13-H3C-13-H2C-13-N
  688143.6415  0.0023 -3.6981 3  549.9889103  58516 303511635      511536        C-13-H3C-13-H2C-13-N
  688143.6415  0.0023 -3.6981 3  549.9889103  58516 303511636      511537        C-13-H3C-13-H2C-13-N
  688152.5809  0.0047 -4.4899 3 1033.3481155  58516 303771661      771562        C-13-H3C-13-H2C-13-N
  688152.5812  0.0047 -4.4899 3 1033.3481155  58516 303771662      771563        C-13-H3C-13-H2C-13-N
  688196.1778  0.0024 -3.7189 3  564.9943105  58516 303521636      521537        C-13-H3C-13-H2C-13-N
  688196.1778  0.0024 -3.7189 3  564.9943105  58516 303521637      521538        C-13-H3C-13-H2C-13-N
  688227.0690  0.0045 -4.4504 3 1011.1803153  58516 303761660      761561        C-13-H3C-13-H2C-13-N
  688227.0692  0.0045 -4.4504 3 1011.1803153  58516 303761661      761562        C-13-H3C-13-H2C-13-N
  688246.2084  0.0024 -3.7405 3  580.2872107  58516 303531637      531538        C-13-H3C-13-H2C-13-N
  688246.2084  0.0024 -3.7405 3  580.2872107  58516 303531638      531539        C-13-H3C-13-H2C-13-N
  688293.5419  0.0025 -3.7629 3  595.8674109  58516 303541638      541539        C-13-H3C-13-H2C-13-N
  688293.5419  0.0025 -3.7629 3  595.8674109  58516 303541639      541540        C-13-H3C-13-H2C-13-N
  688293.6118  0.0043 -4.4115 3  989.2979151  58516 303751659      751560        C-13-H3C-13-H2C-13-N
  688293.6119  0.0043 -4.4115 3  989.2979151  58516 303751660      751561        C-13-H3C-13-H2C-13-N
  688296.1351  0.0510 -5.0798 3  710.9998 87  58516 303432518      442421        C-13-H3C-13-H2C-13-N
  688296.1351  0.0510 -5.0798 3  710.9998 87  58516 303432519      442420        C-13-H3C-13-H2C-13-N
  688337.9837  0.0025 -3.7862 3  611.7349111  58516 303551639      551540        C-13-H3C-13-H2C-13-N
  688337.9837  0.0025 -3.7862 3  611.7349111  58516 303551640      551541        C-13-H3C-13-H2C-13-N
  688352.4737  0.0041 -4.3734 3  967.7011149  58516 303741658      741559        C-13-H3C-13-H2C-13-N
  688352.4738  0.0041 -4.3734 3  967.7011149  58516 303741659      741560        C-13-H3C-13-H2C-13-N
  688379.3366  0.0026 -3.8103 3  627.8896113  58516 303561640      561541        C-13-H3C-13-H2C-13-N
  688379.3366  0.0026 -3.8103 3  627.8896113  58516 303561641      561542        C-13-H3C-13-H2C-13-N
  688403.9156  0.0040 -4.3360 3  946.3900147  58516 303731657      731558        C-13-H3C-13-H2C-13-N
  688403.9156  0.0040 -4.3360 3  946.3900147  58516 303731658      731559        C-13-H3C-13-H2C-13-N
  688417.4001  0.0026 -3.8351 3  644.3315115  58516 303571641      571542        C-13-H3C-13-H2C-13-N
  688417.4001  0.0026 -3.8351 3  644.3315115  58516 303571642      571543        C-13-H3C-13-H2C-13-N
  688448.1945  0.0039 -4.2992 3  925.3645145  58516 303721656      721557        C-13-H3C-13-H2C-13-N
  688448.1945  0.0039 -4.2992 3  925.3645145  58516 303721657      721558        C-13-H3C-13-H2C-13-N
  688451.9708  0.0027 -3.8608 3  661.0604117  58516 303581642      581543        C-13-H3C-13-H2C-13-N
  688451.9708  0.0027 -3.8608 3  661.0604117  58516 303581643      581544        C-13-H3C-13-H2C-13-N
  688482.8425  0.0027 -3.8872 3  678.0763119  58516 303591643      591544        C-13-H3C-13-H2C-13-N
  688482.8425  0.0027 -3.8872 3  678.0763119  58516 303591644      591545        C-13-H3C-13-H2C-13-N
  688485.5640  0.0037 -4.2632 3  904.6249143  58516 303711655      711556        C-13-H3C-13-H2C-13-N
  688485.5641  0.0037 -4.2632 3  904.6249143  58516 303711656      711557        C-13-H3C-13-H2C-13-N
  688509.0589  0.0043 -5.4664 3  548.7079119  58516 30359 950      59 753        C-13-H3C-13-H2C-13-N
  688509.8058  0.0028 -3.9145 3  695.3792121  58516 303601644      601545        C-13-H3C-13-H2C-13-N
  688509.8058  0.0028 -3.9145 3  695.3792121  58516 303601645      601546        C-13-H3C-13-H2C-13-N
  688516.2745  0.0036 -4.2278 3  884.1712141  58516 303701654      701555        C-13-H3C-13-H2C-13-N
  688516.2745  0.0036 -4.2278 3  884.1712141  58516 303701655      701556        C-13-H3C-13-H2C-13-N
  688532.6485  0.0029 -3.9425 3  712.9689123  58516 303611645      611546        C-13-H3C-13-H2C-13-N
  688532.6485  0.0029 -3.9425 3  712.9689123  58516 303611646      611547        C-13-H3C-13-H2C-13-N
  688540.5726  0.0035 -4.1932 3  864.0035139  58516 303691653      691554        C-13-H3C-13-H2C-13-N
  688540.5726  0.0035 -4.1932 3  864.0035139  58516 303691654      691555        C-13-H3C-13-H2C-13-N
  688551.1552  0.0029 -3.9712 3  730.8454125  58516 303621646      621547        C-13-H3C-13-H2C-13-N
  688551.1552  0.0029 -3.9712 3  730.8454125  58516 303621647      621548        C-13-H3C-13-H2C-13-N
  688558.7018  0.0034 -4.1593 3  844.1219137  58516 303681652      681553        C-13-H3C-13-H2C-13-N
  688558.7018  0.0034 -4.1593 3  844.1219137  58516 303681653      681554        C-13-H3C-13-H2C-13-N
  688565.1077  0.0030 -4.0007 3  749.0086127  58516 303631647      631548        C-13-H3C-13-H2C-13-N
  688565.1077  0.0030 -4.0007 3  749.0086127  58516 303631648      631549        C-13-H3C-13-H2C-13-N
  688570.9022  0.0033 -4.1261 3  824.5266135  58516 303671651      671552        C-13-H3C-13-H2C-13-N
  688570.9022  0.0033 -4.1261 3  824.5266135  58516 303671652      671553        C-13-H3C-13-H2C-13-N
  688574.2845  0.0031 -4.0310 3  767.4584129  58516 303641648      641549        C-13-H3C-13-H2C-13-N
  688574.2845  0.0031 -4.0310 3  767.4584129  58516 303641649      641550        C-13-H3C-13-H2C-13-N
  688577.4109  0.0032 -4.0937 3  805.2174133  58516 303661650      661551        C-13-H3C-13-H2C-13-N
  688577.4109  0.0032 -4.0937 3  805.2174133  58516 303661651      661552        C-13-H3C-13-H2C-13-N
  688578.4614  0.0032 -4.0620 3  786.1947131  58516 303651649      651550        C-13-H3C-13-H2C-13-N
  688578.4614  0.0032 -4.0620 3  786.1947131  58516 303651650      651551        C-13-H3C-13-H2C-13-N
  688612.1181  0.1270 -5.4613 3 2051.6125159  58516 303794039      784038        C-13-H3C-13-H2C-13-N
  688612.1181  0.1270 -5.4613 3 2051.6125159  58516 303794040      784039        C-13-H3C-13-H2C-13-N
  688625.7092  0.0029 -4.2505 3  950.2047163  58516 30381 577      80 476        C-13-H3C-13-H2C-13-N
  689103.1888  0.1631 -5.5870 3 2108.5829159  58516 303794138      784137        C-13-H3C-13-H2C-13-N
  689103.1888  0.1631 -5.5870 3 2108.5829159  58516 303794139      784138        C-13-H3C-13-H2C-13-N
  689136.0830  0.0032 -4.1882 3  959.3374165  58516 30382 379      81 478        C-13-H3C-13-H2C-13-N
  689176.9628  0.0032 -3.0431 3  959.3374165  58516 30382 479      81 478        C-13-H3C-13-H2C-13-N
  689186.3958  0.0032 -3.0430 3  959.3357165  58516 30382 379      81 378        C-13-H3C-13-H2C-13-N
  689227.2757  0.0032 -4.1881 3  959.3357165  58516 30382 479      81 378        C-13-H3C-13-H2C-13-N
  689356.8606  0.0035 -5.0672 3  188.3359 73  58516 30336 532      35 333        C-13-H3C-13-H2C-13-N
  689388.4916  0.0306 -5.0273 3  615.8916 77  58516 303382414      392317        C-13-H3C-13-H2C-13-N
  689388.4916  0.0306 -5.0273 3  615.8916 77  58516 303382415      392316        C-13-H3C-13-H2C-13-N
  689605.2251  0.2080 -5.7156 3 2166.7717159  58516 303794237      784236        C-13-H3C-13-H2C-13-N
  689605.2251  0.2080 -5.7156 3 2166.7717159  58516 303794238      784237        C-13-H3C-13-H2C-13-N
  689623.6261  0.0059 -5.3219 3  330.2594 95  58516 30347 642      47 345        C-13-H3C-13-H2C-13-N
  689855.6711  0.0055 -5.2070 3  192.3517 75  58516 30337 434      36 235        C-13-H3C-13-H2C-13-N
  689927.9133  0.0028 -2.9897 3  925.9834159  58516 30379 673      78 672        C-13-H3C-13-H2C-13-N
  689971.8092  0.0041 -5.4511 3  531.6007117  58516 30358 949      58 752        C-13-H3C-13-H2C-13-N
  689981.9006  0.0016 -3.3034 3  229.6166 73  58516 30336 928      35 827        C-13-H3C-13-H2C-13-N
  689982.2358  0.0016 -3.3034 3  229.6166 73  58516 30336 927      35 828        C-13-H3C-13-H2C-13-N
  690097.4055  0.0027 -3.4174 3 1125.9313161  58516 303801763      791762        C-13-H3C-13-H2C-13-N
  690097.4055  0.0027 -3.4174 3 1125.9313161  58516 303801764      791763        C-13-H3C-13-H2C-13-N
  690124.2249  0.0028 -3.4739 3 1151.8544161  58516 303801862      791861        C-13-H3C-13-H2C-13-N
  690124.2249  0.0028 -3.4739 3 1151.8544161  58516 303801863      791862        C-13-H3C-13-H2C-13-N
  690125.8343  0.0019 -3.5498 3  339.6316 95  58516 30347 740      46 641        C-13-H3C-13-H2C-13-N
  690127.4251  0.0026 -3.3641 3 1101.4881161  58516 303801664      791663        C-13-H3C-13-H2C-13-N
  690127.4251  0.0026 -3.3641 3 1101.4881161  58516 303801665      791664        C-13-H3C-13-H2C-13-N
  690189.9095  0.0164 -5.3279 3  755.6900143  58516 30371 764      71 467        C-13-H3C-13-H2C-13-N
  690198.4100  0.0030 -3.5335 3 1179.2445161  58516 303801961      791960        C-13-H3C-13-H2C-13-N
  690198.4100  0.0030 -3.5335 3 1179.2445161  58516 303801962      791961        C-13-H3C-13-H2C-13-N
  690227.3736  0.0025 -3.3140 3 1078.5396161  58516 303801566      791565        C-13-H3C-13-H2C-13-N
  690227.3738  0.0025 -3.3140 3 1078.5396161  58516 303801565      791564        C-13-H3C-13-H2C-13-N
  690276.2505  0.0037 -5.4158 3  482.1550111  58516 30355 947      55 748        C-13-H3C-13-H2C-13-N
  690312.9267  0.0032 -3.5962 3 1208.0897161  58516 303802060      792059        C-13-H3C-13-H2C-13-N
  690312.9267  0.0032 -3.5962 3 1208.0897161  58516 303802061      792060        C-13-H3C-13-H2C-13-N
  690348.9112  0.0040 -4.3068 3  916.7556159  58516 30379 674      78 573        C-13-H3C-13-H2C-13-N
  690393.7364  0.0171 -5.0459 3  529.4395 67  58516 303332310      342213        C-13-H3C-13-H2C-13-N
  690393.7364  0.0171 -5.0459 3  529.4395 67  58516 303332311      342212        C-13-H3C-13-H2C-13-N
  690415.9151  0.0024 -3.2671 3 1057.1036161  58516 303801467      791466        C-13-H3C-13-H2C-13-N
  690415.9209  0.0024 -3.2671 3 1057.1036161  58516 303801466      791465        C-13-H3C-13-H2C-13-N
  690462.4370  0.0034 -3.6621 3 1238.3790161  58516 303802159      792158        C-13-H3C-13-H2C-13-N
  690462.4370  0.0034 -3.6621 3 1238.3790161  58516 303802160      792159        C-13-H3C-13-H2C-13-N
  690512.4321  0.0078 -5.1804 3  589.4066125  58516 30362 854      62 557        C-13-H3C-13-H2C-13-N
  690642.8122  0.0037 -3.7311 3 1270.1021161  58516 303802258      792257        C-13-H3C-13-H2C-13-N
  690642.8122  0.0037 -3.7311 3 1270.1021161  58516 303802259      792258        C-13-H3C-13-H2C-13-N
  690720.7110  0.0023 -3.2234 3 1037.2028161  58516 303801368      791367        C-13-H3C-13-H2C-13-N
  690720.8217  0.0023 -3.2234 3 1037.2028161  58516 303801367      791366        C-13-H3C-13-H2C-13-N
  690768.8439  0.0038 -4.1386 3  967.1949167  58516 30383 281      82 380        C-13-H3C-13-H2C-13-N
  690770.2510  0.0038 -3.0516 3  967.1949167  58516 30383 381      82 380        C-13-H3C-13-H2C-13-N
  690770.6046  0.0038 -3.0516 3  967.1949167  58516 30383 281      82 280        C-13-H3C-13-H2C-13-N
  690772.0118  0.0038 -4.1386 3  967.1949167  58516 30383 381      82 280        C-13-H3C-13-H2C-13-N
  690850.8050  0.0040 -3.8032 3 1303.2485161  58516 303802357      792356        C-13-H3C-13-H2C-13-N
  690850.8050  0.0040 -3.8032 3 1303.2485161  58516 303802358      792357        C-13-H3C-13-H2C-13-N
  691083.8217  0.0043 -3.8784 3 1337.8082161  58516 303802456      792455        C-13-H3C-13-H2C-13-N
  691083.8217  0.0043 -3.8784 3 1337.8082161  58516 303802457      792456        C-13-H3C-13-H2C-13-N
  691184.4499  0.0023 -3.1829 3 1018.8676161  58516 303801269      791268        C-13-H3C-13-H2C-13-N
  691186.2278  0.0023 -3.1829 3 1018.8677161  58516 303801268      791267        C-13-H3C-13-H2C-13-N
  691262.8294  0.0498 -5.5117 3 1378.3928193  58516 30396 888      95 987        C-13-H3C-13-H2C-13-N
  691270.4961  0.0093 -5.5746 3  308.5938 93  58516 30346 542      46 245        C-13-H3C-13-H2C-13-N
  691302.8387  0.0092 -5.1860 3  451.6490 57  58516 3032822 6      2921 9        C-13-H3C-13-H2C-13-N
  691302.8387  0.0092 -5.1860 3  451.6490 57  58516 3032822 7      2921 8        C-13-H3C-13-H2C-13-N
  691339.7613  0.0045 -3.9567 3 1373.7713161  58516 303802555      792554        C-13-H3C-13-H2C-13-N
  691339.7613  0.0045 -3.9567 3 1373.7713161  58516 303802556      792555        C-13-H3C-13-H2C-13-N
  691348.1782  0.0210 -5.3437 3  872.1844153  58516 30376 868      76 571        C-13-H3C-13-H2C-13-N
  691395.8229  0.0108 -4.6508 3 1044.8866169  58516 30384 678      83 777        C-13-H3C-13-H2C-13-N
  691397.1162  0.0028 -3.0351 3  950.9924161  58516 30380 774      79 773        C-13-H3C-13-H2C-13-N
  691423.6659  0.0040 -5.4368 3  514.7840115  58516 30357 948      57 751        C-13-H3C-13-H2C-13-N
  691556.0449  0.2556 -5.6705 3 1159.3274125  58516 303622933      632836        C-13-H3C-13-H2C-13-N
  691556.0449  0.2556 -5.6705 3 1159.3274125  58516 303622934      632835        C-13-H3C-13-H2C-13-N
  691616.8988  0.0048 -4.0380 3 1411.1276161  58516 303802654      792653        C-13-H3C-13-H2C-13-N
  691616.8988  0.0048 -4.0380 3 1411.1276161  58516 303802655      792654        C-13-H3C-13-H2C-13-N
  691675.8102  0.0053 -4.5278 3  192.2910 75  58516 30337 434      36 135        C-13-H3C-13-H2C-13-N
  691677.5808  0.0016 -3.2338 3  194.5783 63  58516 303311022      30 921        C-13-H3C-13-H2C-13-N
  691677.5813  0.0016 -3.2338 3  194.5783 63  58516 303311021      30 922        C-13-H3C-13-H2C-13-N
  691725.4607  0.0049 -5.5083 3  216.5482 75  58516 30337 730      37 433        C-13-H3C-13-H2C-13-N
  691834.6216  0.0036 -3.0187 3  940.4815159  58516 30379 871      78 870        C-13-H3C-13-H2C-13-N
  691858.7330  0.0019 -3.5719 3  353.4595 97  58516 30348 742      47 641        C-13-H3C-13-H2C-13-N
  691871.7511  0.0023 -3.1456 3 1002.1417161  58516 303801170      791169        C-13-H3C-13-H2C-13-N
  691894.8748  0.0023 -3.1456 3 1002.1444161  58516 303801169      791168        C-13-H3C-13-H2C-13-N
  691913.8005  0.0052 -4.1224 3 1449.8672161  58516 303802753      792752        C-13-H3C-13-H2C-13-N
  691913.8005  0.0052 -4.1224 3 1449.8672161  58516 303802754      792753        C-13-H3C-13-H2C-13-N
  692107.0670  0.0058 -5.6278 3  382.5245 47  58516 3032321 2      2420 5        C-13-H3C-13-H2C-13-N
  692107.0670  0.0058 -5.6278 3  382.5245 47  58516 3032321 3      2420 4        C-13-H3C-13-H2C-13-N
  692229.2604  0.0058 -4.2098 3 1489.9798161  58516 303802852      792851        C-13-H3C-13-H2C-13-N
  692229.2604  0.0058 -4.2098 3 1489.9798161  58516 303802853      792852        C-13-H3C-13-H2C-13-N
  692436.8018  0.0050 -4.0969 3  973.9254169  58516 30384 183      83 282        C-13-H3C-13-H2C-13-N
  692436.8302  0.0050 -3.0577 3  973.9254169  58516 30384 283      83 282        C-13-H3C-13-H2C-13-N
  692436.8378  0.0050 -3.0577 3  973.9254169  58516 30384 183      83 182        C-13-H3C-13-H2C-13-N
  692436.8662  0.0050 -4.0969 3  973.9254169  58516 30384 283      83 182        C-13-H3C-13-H2C-13-N
  692455.3773  0.0036 -5.4042 3  466.1842109  58516 30354 946      54 747        C-13-H3C-13-H2C-13-N
  692562.2519  0.0068 -4.3002 3 1531.4553161  58516 303802951      792950        C-13-H3C-13-H2C-13-N
  692562.2519  0.0068 -4.3002 3 1531.4553161  58516 303802952      792951        C-13-H3C-13-H2C-13-N
  692728.6567  0.0018 -3.1844 3  168.2719 53  58516 303261115      251016        C-13-H3C-13-H2C-13-N
  692728.6567  0.0018 -3.1844 3  168.2719 53  58516 303261116      251015        C-13-H3C-13-H2C-13-N
  692840.3626  0.0024 -3.1116 3  987.0864161  58516 303801071      791070        C-13-H3C-13-H2C-13-N
  692853.8450  0.0038 -5.4238 3  498.2581113  58516 30356 947      56 750        C-13-H3C-13-H2C-13-N
  692911.8920  0.0084 -4.3936 3 1574.2832161  58516 303803050      793049        C-13-H3C-13-H2C-13-N
  692911.8920  0.0084 -4.3936 3 1574.2832161  58516 303803051      793050        C-13-H3C-13-H2C-13-N
  692948.4743  0.1794 -5.4726 3 1031.1134115  58516 303572829      582732        C-13-H3C-13-H2C-13-N
  692948.4743  0.1794 -5.4726 3 1031.1134115  58516 303572830      582731        C-13-H3C-13-H2C-13-N
  693074.5315  0.0024 -3.1114 3  987.1178161  58516 303801070      791069        C-13-H3C-13-H2C-13-N
  693277.4127  0.0109 -4.4900 3 1618.4531161  58516 303803149      793148        C-13-H3C-13-H2C-13-N
  693277.4127  0.0109 -4.4900 3 1618.4531161  58516 303803150      793149        C-13-H3C-13-H2C-13-N
  693429.3459  0.0021 -3.1502 3  150.6613 43  58516 3032112 9      201110        C-13-H3C-13-H2C-13-N
  693429.3459  0.0021 -3.1502 3  150.6613 43  58516 303211210      2011 9        C-13-H3C-13-H2C-13-N
  693483.4762  0.0030 -5.2708 3  129.3687 59  58516 30329 624      28 425        C-13-H3C-13-H2C-13-N
  693658.1395  0.0145 -4.5893 3 1663.9544161  58516 303803248      793247        C-13-H3C-13-H2C-13-N
  693658.1395  0.0145 -4.5893 3 1663.9544161  58516 303803249      793248        C-13-H3C-13-H2C-13-N
  693888.5585  0.0026 -3.0813 3  973.7454161  58516 30380 972      79 971        C-13-H3C-13-H2C-13-N
  693898.4813  0.0024 -3.1238 3  141.7310 33  58516 3031613 3      1512 4        C-13-H3C-13-H2C-13-N
  693898.4813  0.0024 -3.1238 3  141.7310 33  58516 3031613 4      1512 3        C-13-H3C-13-H2C-13-N
  693941.3470  0.0028 -3.0556 3  961.9499161  58516 30380 873      79 872        C-13-H3C-13-H2C-13-N
  694053.4737  0.0195 -4.6917 3 1710.7763161  58516 303803347      793346        C-13-H3C-13-H2C-13-N
  694053.4737  0.0195 -4.6917 3 1710.7763161  58516 303803348      793347        C-13-H3C-13-H2C-13-N
  694125.1551  0.0083 -4.0601 3  979.6115171  58516 30385 085      84 184        C-13-H3C-13-H2C-13-N
  694125.1554  0.0083 -3.0617 3  979.6115171  58516 30385 085      84 084        C-13-H3C-13-H2C-13-N
  694125.1554  0.0083 -3.0617 3  979.6115171  58516 30385 185      84 184        C-13-H3C-13-H2C-13-N
  694125.1557  0.0083 -4.0601 3  979.6115171  58516 30385 185      84 084        C-13-H3C-13-H2C-13-N
  694209.2801  0.0028 -3.0501 3  962.6705163  58516 30381 676      80 675        C-13-H3C-13-H2C-13-N
  694253.1861  0.0037 -5.4118 3  482.0231111  58516 30355 946      55 749        C-13-H3C-13-H2C-13-N
  694287.8339  0.1224 -5.3047 3  911.5248105  58516 303522725      532628        C-13-H3C-13-H2C-13-N
  694287.8339  0.1224 -5.3047 3  911.5248105  58516 303522726      532627        C-13-H3C-13-H2C-13-N
  694368.7814  0.0041 -4.7258 3  323.3871 95  58516 30347 542      46 343        C-13-H3C-13-H2C-13-N
  694437.0224  0.0036 -5.3939 3  450.5097107  58516 30353 945      53 746        C-13-H3C-13-H2C-13-N
  694462.8797  0.0262 -4.7969 3 1758.9081161  58516 303803446      793445        C-13-H3C-13-H2C-13-N
  694462.8797  0.0262 -4.7969 3 1758.9081161  58516 303803447      793446        C-13-H3C-13-H2C-13-N
  694775.8221  0.0031 -5.2416 3  138.0045 61  58516 30330 624      29 425        C-13-H3C-13-H2C-13-N
  694885.8735  0.0350 -4.9051 3 1808.3387161  58516 303803545      793544        C-13-H3C-13-H2C-13-N
  694885.8735  0.0350 -4.9051 3 1808.3387161  58516 303803546      793545        C-13-H3C-13-H2C-13-N
  695105.8187  0.0029 -4.2808 3  973.1748165  58516 30382 478      81 577        C-13-H3C-13-H2C-13-N
  695129.5144  0.0017 -3.4092 3  285.3366 85  58516 30342 835      41 734        C-13-H3C-13-H2C-13-N
  695220.0530  0.0017 -3.4091 3  285.3337 85  58516 30342 834      41 735        C-13-H3C-13-H2C-13-N
  695322.0146  0.0465 -5.0162 3 1859.0570161  58516 303803644      793643        C-13-H3C-13-H2C-13-N
  695322.0146  0.0465 -5.0162 3 1859.0570161  58516 303803645      793644        C-13-H3C-13-H2C-13-N
  695473.2826  0.0034 -2.9972 3  932.8778159  58516 30379 772      78 771        C-13-H3C-13-H2C-13-N
  695527.8382  0.0032 -4.7076 3  167.5468 69  58516 30334 530      33 231        C-13-H3C-13-H2C-13-N
  695538.2748  0.0028 -3.0478 3  962.3712163  58516 30381 576      80 575        C-13-H3C-13-H2C-13-N
  695565.0081  0.0808 -5.1710 3  800.5708 95  58516 303472621      482524        C-13-H3C-13-H2C-13-N
  695565.0081  0.0808 -5.1710 3  800.5708 95  58516 303472622      482523        C-13-H3C-13-H2C-13-N
  695590.9877  0.0029 -3.0797 3  974.0215161  58516 30380 971      79 970        C-13-H3C-13-H2C-13-N
  695614.0466  0.0036 -5.4010 3  466.0793109  58516 30354 945      54 748        C-13-H3C-13-H2C-13-N
  695733.4110  0.0030 -3.0644 3  973.1748165  58516 30382 578      81 577        C-13-H3C-13-H2C-13-N
  695763.9547  0.0035 -4.4035 3  985.8268165  58516 30382 577      81 676        C-13-H3C-13-H2C-13-N
  695770.8988  0.0612 -5.1302 3 1911.0519161  58516 303803743      793742        C-13-H3C-13-H2C-13-N
  695770.8988  0.0612 -5.1302 3 1911.0519161  58516 303803744      793743        C-13-H3C-13-H2C-13-N
  695863.3432  0.0030 -3.0642 3  973.1495165  58516 30382 478      81 477        C-13-H3C-13-H2C-13-N
  695992.7069  0.0141 -5.6823 3  376.8899103  58516 30351 447      51 150        C-13-H3C-13-H2C-13-N
  696232.1529  0.0800 -5.2471 3 1964.3121161  58516 303803842      793841        C-13-H3C-13-H2C-13-N
  696232.1529  0.0800 -5.2471 3 1964.3121161  58516 303803843      793842        C-13-H3C-13-H2C-13-N
  696241.1897  0.0035 -5.3849 3  435.1309105  58516 30352 944      52 745        C-13-H3C-13-H2C-13-N
  696490.9356  0.0030 -4.2790 3  973.1495165  58516 30382 578      81 477        C-13-H3C-13-H2C-13-N
  696654.4645  0.0040 -4.3321 3  939.4326161  58516 30380 675      79 574        C-13-H3C-13-H2C-13-N
  696705.4300  0.1037 -5.3669 3 2018.8260161  58516 303803941      793940        C-13-H3C-13-H2C-13-N
  696705.4300  0.1037 -5.3669 3 2018.8260161  58516 303803942      793941        C-13-H3C-13-H2C-13-N
  696770.7566  0.0511 -5.0786 3  698.2599 85  58516 303422517      432420        C-13-H3C-13-H2C-13-N
  696770.7566  0.0511 -5.0786 3  698.2599 85  58516 303422518      432419        C-13-H3C-13-H2C-13-N
  696930.1887  0.0035 -5.3914 3  450.4269107  58516 30353 944      53 747        C-13-H3C-13-H2C-13-N
  697020.9456  0.0048 -5.7390 3   82.0647 49  58516 30324 519      23 222        C-13-H3C-13-H2C-13-N
  697169.9873  0.0033 -4.2185 3  982.3259167  58516 30383 380      82 479        C-13-H3C-13-H2C-13-N
  697184.1719  0.0049 -5.5479 3  205.6644 73  58516 30336 729      36 432        C-13-H3C-13-H2C-13-N
  697190.4062  0.1335 -5.4895 3 2074.5821161  58516 303804040      794039        C-13-H3C-13-H2C-13-N
  697190.4062  0.1335 -5.4895 3 2074.5821161  58516 303804041      794040        C-13-H3C-13-H2C-13-N
  697203.1862  0.0033 -3.0759 3  982.3259167  58516 30383 480      82 479        C-13-H3C-13-H2C-13-N
  697210.8671  0.0033 -3.0759 3  982.3245167  58516 30383 380      82 379        C-13-H3C-13-H2C-13-N
  697244.0660  0.0033 -4.2184 3  982.3245167  58516 30383 480      82 379        C-13-H3C-13-H2C-13-N
  697490.9918  0.0076 -5.1921 3  571.2040123  58516 30361 853      61 556        C-13-H3C-13-H2C-13-N
  697686.7774  0.1707 -5.6150 3 2131.5689161  58516 303804139      794138        C-13-H3C-13-H2C-13-N
  697686.7774  0.1707 -5.6150 3 2131.5689161  58516 303804140      794139        C-13-H3C-13-H2C-13-N
  697732.3276  0.0029 -3.0227 3  948.9969161  58516 30380 674      79 673        C-13-H3C-13-H2C-13-N
  697885.7722  0.0034 -5.3773 3  420.0471103  58516 30351 943      51 744        C-13-H3C-13-H2C-13-N
  697895.8095  0.0306 -5.0401 3  604.5993 75  58516 303372413      382316        C-13-H3C-13-H2C-13-N
  697895.8095  0.0306 -5.0401 3  604.5993 75  58516 303372414      382315        C-13-H3C-13-H2C-13-N
  698194.2569  0.2168 -5.7434 3 2189.7745161  58516 303804238      794237        C-13-H3C-13-H2C-13-N
  698194.2569  0.2168 -5.7434 3 2189.7745161  58516 303804239      794238        C-13-H3C-13-H2C-13-N
  698196.6611  0.0035 -5.3829 3  435.0659105  58516 30352 943      52 746        C-13-H3C-13-H2C-13-N
  698448.9618  0.0019 -3.5661 3  353.2627 97  58516 30348 741      47 642        C-13-H3C-13-H2C-13-N
  698512.0483  0.0016 -3.3089 3  240.0197 75  58516 30337 929      36 828        C-13-H3C-13-H2C-13-N
  698512.5720  0.0016 -3.3089 3  240.0197 75  58516 30337 928      36 829        C-13-H3C-13-H2C-13-N
  698558.9805  0.0020 -3.5905 3  367.4308 99  58516 30349 743      48 642        C-13-H3C-13-H2C-13-N
  698626.8068  0.0028 -3.4491 3 1148.9505163  58516 303811764      801763        C-13-H3C-13-H2C-13-N
  698626.8068  0.0028 -3.4491 3 1148.9505163  58516 303811765      801764        C-13-H3C-13-H2C-13-N
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  699367.5326  0.0042 -3.8345 3 1326.2928163  58516 303812359      802358        C-13-H3C-13-H2C-13-N
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  699879.4687  0.2557 -5.6409 3 1141.0933123  58516 303612933      622834        C-13-H3C-13-H2C-13-N
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  700137.0865  0.0051 -4.0691 3 1434.1975163  58516 303812656      802655        C-13-H3C-13-H2C-13-N
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  701811.0863  0.0119 -4.5205 3 1641.5783163  58516 303813151      803150        C-13-H3C-13-H2C-13-N
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  702195.3769  0.0159 -4.6198 3 1687.0923163  58516 303813250      803249        C-13-H3C-13-H2C-13-N
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  702588.3328  0.0024 -3.1197 3  146.3525 35  58516 3031713 5      1612 4        C-13-H3C-13-H2C-13-N
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  703007.9473  0.0284 -4.8271 3 1782.0729163  58516 303813448      803447        C-13-H3C-13-H2C-13-N
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  703435.1776  0.0378 -4.9352 3 1831.5176163  58516 303813547      803546        C-13-H3C-13-H2C-13-N
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  703858.8060  0.0031 -3.0976 3  996.3610167  58516 30383 479      82 478        C-13-H3C-13-H2C-13-N
  703875.7523  0.0499 -5.0461 3 1882.2505163  58516 303813645      803644        C-13-H3C-13-H2C-13-N
  703875.7523  0.0499 -5.0461 3 1882.2505163  58516 303813646      803645        C-13-H3C-13-H2C-13-N
  703980.1417  0.0261 -5.0532 3 1206.0597181  58516 30390 783      89 882        C-13-H3C-13-H2C-13-N
  704010.2552  0.0808 -5.1621 3  786.6720 93  58516 303462620      472523        C-13-H3C-13-H2C-13-N
  704010.2552  0.0808 -5.1621 3  786.6720 93  58516 303462621      472522        C-13-H3C-13-H2C-13-N
  704049.9850  0.0034 -3.0296 3  956.0763161  58516 30380 773      79 772        C-13-H3C-13-H2C-13-N
  704211.0179  0.0032 -5.3587 3  349.0357 93  58516 30346 938      46 739        C-13-H3C-13-H2C-13-N
  704248.5597  0.0127 -5.3853 3  627.9715131  58516 30365 659      65 362        C-13-H3C-13-H2C-13-N
  704329.2560  0.0653 -5.1600 3 1934.2604163  58516 303813744      803743        C-13-H3C-13-H2C-13-N
  704329.2560  0.0653 -5.1600 3 1934.2604163  58516 303813745      803744        C-13-H3C-13-H2C-13-N
  704378.2485  0.0031 -4.3084 3  996.3610167  58516 30383 579      82 478        C-13-H3C-13-H2C-13-N
  704531.9183  0.0030 -3.1117 3  997.2240163  58516 30381 972      80 971        C-13-H3C-13-H2C-13-N
  704606.6770  0.0032 -5.3583 3  349.0225 93  58516 30346 937      46 740        C-13-H3C-13-H2C-13-N
  704790.0109  0.0034 -4.4286 3 1009.2517167  58516 30383 578      82 677        C-13-H3C-13-H2C-13-N
  704795.3053  0.0849 -5.2767 3 1987.5359163  58516 303813843      803842        C-13-H3C-13-H2C-13-N
  704795.3053  0.0849 -5.2767 3 1987.5359163  58516 303813844      803843        C-13-H3C-13-H2C-13-N
  704983.0278  0.0074 -5.2053 3  553.2779121  58516 30360 852      60 555        C-13-H3C-13-H2C-13-N
  704985.9467  0.0021 -3.6105 3  381.7027101  58516 30350 744      49 643        C-13-H3C-13-H2C-13-N
  705173.9509  0.0031 -5.3591 3  335.7121 91  58516 30345 937      45 738        C-13-H3C-13-H2C-13-N
  705199.5005  0.0034 -4.2496 3 1005.5821169  58516 30384 381      83 480        C-13-H3C-13-H2C-13-N
  705226.4491  0.0034 -3.1094 3 1005.5821169  58516 30384 481      83 480        C-13-H3C-13-H2C-13-N
  705232.6993  0.0034 -3.1094 3 1005.5810169  58516 30384 381      83 380        C-13-H3C-13-H2C-13-N
  705251.1172  0.0511 -5.0805 3  685.8083 83  58516 303412516      422419        C-13-H3C-13-H2C-13-N
  705251.1172  0.0511 -5.0805 3  685.8083 83  58516 303412517      422418        C-13-H3C-13-H2C-13-N
  705259.6479  0.0034 -4.2495 3 1005.5810169  58516 30384 481      83 380        C-13-H3C-13-H2C-13-N
  705273.5441  0.1095 -5.3963 3 2042.0656163  58516 303813942      803941        C-13-H3C-13-H2C-13-N
  705273.5441  0.1095 -5.3963 3 2042.0656163  58516 303813943      803942        C-13-H3C-13-H2C-13-N
  705469.6047  0.0031 -5.3588 3  335.7022 91  58516 30345 936      45 739        C-13-H3C-13-H2C-13-N
  705499.8198  0.0030 -3.0564 3  972.2708163  58516 30381 675      80 674        C-13-H3C-13-H2C-13-N
  705763.6399  0.1404 -5.5187 3 2097.8379163  58516 303814041      804040        C-13-H3C-13-H2C-13-N
  705763.6399  0.1404 -5.5187 3 2097.8379163  58516 303814042      804041        C-13-H3C-13-H2C-13-N
  705943.0252  0.0058 -4.9332 3  290.9005 91  58516 30345 441      44 242        C-13-H3C-13-H2C-13-N
  706056.1319  0.0031 -5.3609 3  322.6806 89  58516 30344 936      44 737        C-13-H3C-13-H2C-13-N
  706221.7650  0.0099 -5.5963 3  321.7113 95  58516 30347 543      47 246        C-13-H3C-13-H2C-13-N
  706265.2807  0.1787 -5.6440 3 2154.8412163  58516 303814140      804139        C-13-H3C-13-H2C-13-N
  706265.2807  0.1787 -5.6440 3 2154.8412163  58516 303814141      804140        C-13-H3C-13-H2C-13-N
  706275.3483  0.0031 -5.3606 3  322.6733 89  58516 30344 935      44 738        C-13-H3C-13-H2C-13-N
  706408.5048  0.0307 -5.0574 3  593.5955 73  58516 303362412      372315        C-13-H3C-13-H2C-13-N
  706408.5048  0.0307 -5.0574 3  593.5955 73  58516 303362413      372314        C-13-H3C-13-H2C-13-N
  706819.5821  0.0048 -5.6320 3  184.8111 69  58516 30334 727      34 430        C-13-H3C-13-H2C-13-N
  706830.4953  0.0041 -4.2024 3 1013.5461171  58516 30385 283      84 382        C-13-H3C-13-H2C-13-N
  706831.3936  0.0041 -3.1184 3 1013.5461171  58516 30385 383      84 382        C-13-H3C-13-H2C-13-N
  706831.6197  0.0041 -3.1184 3 1013.5460171  58516 30385 283      84 282        C-13-H3C-13-H2C-13-N
  706832.5179  0.0041 -4.2024 3 1013.5460171  58516 30385 383      84 282        C-13-H3C-13-H2C-13-N
  706835.8199  0.0019 -3.5836 3  367.1849 99  58516 30349 742      48 643        C-13-H3C-13-H2C-13-N
  706864.1581  0.0031 -5.3641 3  309.9410 87  58516 30343 935      43 736        C-13-H3C-13-H2C-13-N
  707025.3963  0.0031 -5.3639 3  309.9356 87  58516 30343 934      43 737        C-13-H3C-13-H2C-13-N
  707027.6304  0.0016 -3.3152 3  250.7124 77  58516 30338 930      37 829        C-13-H3C-13-H2C-13-N
  707028.4382  0.0016 -3.3152 3  250.7124 77  58516 30338 929      37 830        C-13-H3C-13-H2C-13-N
  707152.5666  0.0029 -3.4816 3 1172.2542165  58516 303821765      811764        C-13-H3C-13-H2C-13-N
  707152.5666  0.0029 -3.4816 3 1172.2542165  58516 303821766      811765        C-13-H3C-13-H2C-13-N
  707169.3847  0.0030 -3.5379 3 1198.1789165  58516 303821864      811863        C-13-H3C-13-H2C-13-N
  707169.3847  0.0030 -3.5379 3 1198.1789165  58516 303821865      811864        C-13-H3C-13-H2C-13-N
  707196.2200  0.0027 -3.4284 3 1147.8132165  58516 303821667      811666        C-13-H3C-13-H2C-13-N
  707196.2201  0.0027 -3.4284 3 1147.8132165  58516 303821666      811665        C-13-H3C-13-H2C-13-N
  707236.4370  0.0032 -3.5974 3 1225.5738165  58516 303821963      811962        C-13-H3C-13-H2C-13-N
  707236.4370  0.0032 -3.5974 3 1225.5738165  58516 303821964      811963        C-13-H3C-13-H2C-13-N
  707266.6279  0.0032 -5.1835 3  155.8168 65  58516 30332 626      31 427        C-13-H3C-13-H2C-13-N
  707314.5361  0.0026 -3.3784 3 1124.8716165  58516 303821568      811567        C-13-H3C-13-H2C-13-N
  707314.5366  0.0026 -3.3784 3 1124.8716165  58516 303821567      811566        C-13-H3C-13-H2C-13-N
  707346.1395  0.0034 -3.6600 3 1254.4266165  58516 303822062      812061        C-13-H3C-13-H2C-13-N
  707346.1395  0.0034 -3.6600 3 1254.4266165  58516 303822063      812062        C-13-H3C-13-H2C-13-N
  707468.6504  0.0056 -5.2109 3  202.7522 77  58516 30338 435      37 236        C-13-H3C-13-H2C-13-N
  707473.2312  0.0173 -5.1248 3  510.0399 63  58516 3033123 8      322211        C-13-H3C-13-H2C-13-N
  707473.2312  0.0173 -5.1248 3  510.0399 63  58516 3033123 9      322210        C-13-H3C-13-H2C-13-N
  707492.7475  0.0037 -3.7258 3 1284.7258165  58516 303822161      812160        C-13-H3C-13-H2C-13-N
  707492.7475  0.0037 -3.7258 3 1284.7258165  58516 303822162      812161        C-13-H3C-13-H2C-13-N
  707512.6424  0.0185 -5.3832 3  776.2388145  58516 30372 765      72 468        C-13-H3C-13-H2C-13-N
  707527.8344  0.0025 -3.3316 3 1103.4487165  58516 303821469      811468        C-13-H3C-13-H2C-13-N
  707527.8451  0.0025 -3.3316 3 1103.4487165  58516 303821468      811467        C-13-H3C-13-H2C-13-N
  707603.8862  0.0030 -5.3688 3  297.4931 85  58516 30342 934      42 735        C-13-H3C-13-H2C-13-N
  707671.8248  0.0040 -3.7947 3 1316.4609165  58516 303822260      812259        C-13-H3C-13-H2C-13-N
  707671.8248  0.0040 -3.7947 3 1316.4609165  58516 303822261      812260        C-13-H3C-13-H2C-13-N
  707721.4938  0.0030 -5.3686 3  297.4891 85  58516 30342 933      42 736        C-13-H3C-13-H2C-13-N
  707810.1336  0.0077 -4.5134 3  235.5870 83  58516 30341 338      40 239        C-13-H3C-13-H2C-13-N
  707834.8705  0.0029 -3.1011 3  997.3920165  58516 30382 776      81 775        C-13-H3C-13-H2C-13-N
  707866.3917  0.0024 -3.2880 3 1083.5687165  58516 303821370      811369        C-13-H3C-13-H2C-13-N
  707866.5881  0.0024 -3.2880 3 1083.5687165  58516 303821369      811368        C-13-H3C-13-H2C-13-N
  707879.8866  0.0043 -3.8666 3 1349.6212165  58516 303822359      812358        C-13-H3C-13-H2C-13-N
  707879.8866  0.0043 -3.8666 3 1349.6212165  58516 303822360      812359        C-13-H3C-13-H2C-13-N
  708114.1528  0.0046 -3.9417 3 1384.1965165  58516 303822458      812457        C-13-H3C-13-H2C-13-N
  708114.1528  0.0046 -3.9417 3 1384.1965165  58516 303822459      812458        C-13-H3C-13-H2C-13-N
  708210.1074  0.2557 -5.6127 3 1123.1459121  58516 303602931      612834        C-13-H3C-13-H2C-13-N
  708210.1074  0.2557 -5.6127 3 1123.1459121  58516 303602932      612833        C-13-H3C-13-H2C-13-N
  708280.5407  0.0030 -5.3750 3  285.3366 83  58516 30341 933      41 734        C-13-H3C-13-H2C-13-N
  708365.5820  0.0030 -5.3749 3  285.3337 83  58516 30341 932      41 735        C-13-H3C-13-H2C-13-N
  708372.3738  0.0050 -4.0198 3 1420.1766165  58516 303822557      812556        C-13-H3C-13-H2C-13-N
  708372.3738  0.0050 -4.0198 3 1420.1766165  58516 303822558      812557        C-13-H3C-13-H2C-13-N
  708377.0305  0.0024 -3.2476 3 1065.2652165  58516 303821271      811270        C-13-H3C-13-H2C-13-N
  708380.0197  0.0024 -3.2476 3 1065.2655165  58516 303821270      811269        C-13-H3C-13-H2C-13-N
  708398.3015  0.0044 -4.7379 3  337.0299 97  58516 30348 543      47 344        C-13-H3C-13-H2C-13-N
  708436.3202  0.0095 -5.3709 3  435.1464 53  58516 3032622 4      2721 7        C-13-H3C-13-H2C-13-N
  708436.3202  0.0095 -5.3709 3  435.1464 53  58516 3032622 5      2721 6        C-13-H3C-13-H2C-13-N
  708466.5089  0.0037 -5.7132 3   73.5051 41  58516 30320 713      19 514        C-13-H3C-13-H2C-13-N
  708475.0893  0.0037 -5.7132 3   73.5048 41  58516 30320 714      19 515        C-13-H3C-13-H2C-13-N
  708503.8704  0.0053 -4.1626 3 1020.3878173  58516 30386 185      85 284        C-13-H3C-13-H2C-13-N
  708503.8880  0.0053 -3.1249 3 1020.3878173  58516 30386 285      85 284        C-13-H3C-13-H2C-13-N
  708503.8927  0.0053 -3.1249 3 1020.3878173  58516 30386 185      85 184        C-13-H3C-13-H2C-13-N
  708503.9103  0.0053 -4.1626 3 1020.3878173  58516 30386 285      85 184        C-13-H3C-13-H2C-13-N
  708598.7300  0.0076 -5.2171 3  235.5607 83  58516 30341 338      40 139        C-13-H3C-13-H2C-13-N
  708652.7048  0.0054 -4.1009 3 1457.5515165  58516 303822656      812655        C-13-H3C-13-H2C-13-N
  708652.7048  0.0054 -4.1009 3 1457.5515165  58516 303822657      812656        C-13-H3C-13-H2C-13-N
  708898.8067  0.0030 -5.3827 3  273.4714 81  58516 30340 932      40 733        C-13-H3C-13-H2C-13-N
  708919.0262  0.0016 -3.2384 3  212.7731 67  58516 303331024      32 923        C-13-H3C-13-H2C-13-N
  708919.0278  0.0016 -3.2384 3  212.7731 67  58516 303331023      32 924        C-13-H3C-13-H2C-13-N
  708950.7194  0.0055 -4.5265 3  202.7027 77  58516 30338 435      37 136        C-13-H3C-13-H2C-13-N
  708953.6140  0.0059 -4.1851 3 1496.3110165  58516 303822755      812754        C-13-H3C-13-H2C-13-N
  708953.6140  0.0059 -4.1851 3 1496.3110165  58516 303822756      812755        C-13-H3C-13-H2C-13-N
  708959.7454  0.0030 -5.3826 3  273.4693 81  58516 30340 931      40 734        C-13-H3C-13-H2C-13-N
  709128.4434  0.0024 -3.2104 3 1048.5863165  58516 303821172      811171        C-13-H3C-13-H2C-13-N
  709154.0504  0.0049 -5.6740 3   88.8945 51  58516 30325 520      24 223        C-13-H3C-13-H2C-13-N
  709165.1748  0.0024 -3.2104 3 1048.5907165  58516 303821171      811170        C-13-H3C-13-H2C-13-N
  709264.8768  0.0064 -5.3430 3  357.7391 99  58516 30349 644      49 347        C-13-H3C-13-H2C-13-N
  709273.8141  0.0066 -4.2724 3 1536.4447165  58516 303822854      812853        C-13-H3C-13-H2C-13-N
  709273.8141  0.0066 -4.2724 3 1536.4447165  58516 303822855      812854        C-13-H3C-13-H2C-13-N
  709462.9109  0.0030 -5.3920 3  261.8973 79  58516 30339 931      39 732        C-13-H3C-13-H2C-13-N
  709506.1674  0.0030 -5.3920 3  261.8958 79  58516 30339 930      39 733        C-13-H3C-13-H2C-13-N
  709612.2111  0.0079 -4.3626 3 1577.9425165  58516 303822953      812952        C-13-H3C-13-H2C-13-N
  709612.2111  0.0079 -4.3626 3 1577.9425165  58516 303822954      812953        C-13-H3C-13-H2C-13-N
  709688.8003  0.1794 -5.4266 3  997.8201111  58516 303552827      562730        C-13-H3C-13-H2C-13-N
  709688.8003  0.1794 -5.4266 3  997.8201111  58516 303552828      562729        C-13-H3C-13-H2C-13-N
  709847.9155  0.0502 -5.5274 3 1406.0839195  58516 30397 889      96 988        C-13-H3C-13-H2C-13-N
  709903.8849  0.0039 -4.3853 3  985.5719165  58516 30382 677      81 576        C-13-H3C-13-H2C-13-N
  709967.8644  0.0100 -4.4558 3 1620.7938165  58516 303823052      813051        C-13-H3C-13-H2C-13-N
  709967.8644  0.0100 -4.4558 3 1620.7938165  58516 303823053      813052        C-13-H3C-13-H2C-13-N
  709976.6902  0.0029 -5.4030 3  250.6141 77  58516 30338 930      38 731        C-13-H3C-13-H2C-13-N
  710007.0933  0.0029 -5.4030 3  250.6131 77  58516 30338 929      38 732        C-13-H3C-13-H2C-13-N
  710058.9287  0.0017 -3.1829 3  183.5761 57  58516 303281117      271018        C-13-H3C-13-H2C-13-N
  710058.9287  0.0017 -3.1829 3  183.5761 57  58516 303281118      271017        C-13-H3C-13-H2C-13-N
  710088.8800  0.0029 -5.2079 3  146.4608 63  58516 30331 626      30 427        C-13-H3C-13-H2C-13-N
  710158.1494  0.0039 -3.0822 3  986.9416163  58516 30381 873      80 872        C-13-H3C-13-H2C-13-N
  710162.3270  0.0025 -3.1766 3 1033.5966165  58516 303821073      811072        C-13-H3C-13-H2C-13-N
  710195.3449  0.0085 -4.1273 3 1026.1866175  58516 30387 087      86 186        C-13-H3C-13-H2C-13-N
  710195.3451  0.0085 -3.1293 3 1026.1866175  58516 30387 087      86 086        C-13-H3C-13-H2C-13-N
  710195.3451  0.0085 -3.1293 3 1026.1866175  58516 30387 187      86 186        C-13-H3C-13-H2C-13-N
  710195.3453  0.0085 -4.1273 3 1026.1866175  58516 30387 187      86 086        C-13-H3C-13-H2C-13-N
  710302.5563  0.0029 -3.1171 3 1009.2517167  58516 30383 678      82 677        C-13-H3C-13-H2C-13-N
  710339.9574  0.0130 -4.5520 3 1664.9882165  58516 303823151      813150        C-13-H3C-13-H2C-13-N
  710339.9574  0.0130 -4.5520 3 1664.9882165  58516 303823152      813151        C-13-H3C-13-H2C-13-N
  710443.6505  0.0029 -5.4157 3  239.6217 75  58516 30337 929      37 730        C-13-H3C-13-H2C-13-N
  710464.7993  0.0029 -5.4157 3  239.6210 75  58516 30337 928      37 731        C-13-H3C-13-H2C-13-N
  710511.3698  0.0025 -3.1763 3 1033.6454165  58516 303821072      811071        C-13-H3C-13-H2C-13-N
  710727.7734  0.0173 -4.6511 3 1710.5150165  58516 303823250      813249        C-13-H3C-13-H2C-13-N
  710727.7734  0.0173 -4.6511 3 1710.5150165  58516 303823251      813250        C-13-H3C-13-H2C-13-N
  710797.7588  0.0020 -3.1440 3  163.0789 47  58516 303231211      221112        C-13-H3C-13-H2C-13-N
  710797.7588  0.0020 -3.1440 3  163.0789 47  58516 303231212      221111        C-13-H3C-13-H2C-13-N
  710867.0153  0.0029 -5.4301 3  228.9200 73  58516 30336 928      36 729        C-13-H3C-13-H2C-13-N
  710881.5674  0.0029 -5.4301 3  228.9195 73  58516 30336 927      36 730        C-13-H3C-13-H2C-13-N
  710889.9129  0.0029 -3.1213 3 1008.5278165  58516 30382 875      81 874        C-13-H3C-13-H2C-13-N
  710979.3015  0.0047 -5.6771 3  174.8418 67  58516 30333 726      33 429        C-13-H3C-13-H2C-13-N
  711107.0876  0.0022 -3.6318 3  396.2765103  58516 30351 745      50 644        C-13-H3C-13-H2C-13-N
  711109.0312  0.1225 -5.2725 3  881.1223101  58516 303502723      512626        C-13-H3C-13-H2C-13-N
  711109.0312  0.1225 -5.2725 3  881.1223101  58516 303502724      512625        C-13-H3C-13-H2C-13-N
  711130.6774  0.0231 -4.7532 3 1757.3635165  58516 303823349      813348        C-13-H3C-13-H2C-13-N
  711130.6774  0.0231 -4.7532 3 1757.3635165  58516 303823350      813349        C-13-H3C-13-H2C-13-N
  711168.4473  0.0027 -3.1465 3 1020.3251165  58516 30382 974      81 973        C-13-H3C-13-H2C-13-N
  711249.7668  0.0029 -5.4464 3  218.5088 71  58516 30335 927      35 728        C-13-H3C-13-H2C-13-N
  711259.6660  0.0029 -5.4464 3  218.5085 71  58516 30335 926      35 729        C-13-H3C-13-H2C-13-N
  711278.9693  0.0023 -3.1158 3  151.2628 37  58516 3031813 5      1712 6        C-13-H3C-13-H2C-13-N
  711278.9693  0.0023 -3.1158 3  151.2628 37  58516 3031813 6      1712 5        C-13-H3C-13-H2C-13-N
  711286.8441  0.0263 -5.4310 3  916.7556157  58516 30378 870      78 573        C-13-H3C-13-H2C-13-N
  711287.1427  0.0029 -3.1155 3 1009.0350167  58516 30383 578      82 577        C-13-H3C-13-H2C-13-N
  711334.6625  0.0031 -4.3398 3 1019.8565169  58516 30384 480      83 579        C-13-H3C-13-H2C-13-N
  711548.1018  0.0308 -4.8582 3 1805.5227165  58516 303823448      813447        C-13-H3C-13-H2C-13-N
  711548.1018  0.0308 -4.8582 3 1805.5227165  58516 303823449      813448        C-13-H3C-13-H2C-13-N
  711594.6801  0.0029 -5.4646 3  208.3880 69  58516 30334 926      34 727        C-13-H3C-13-H2C-13-N
  711601.3333  0.0029 -5.4646 3  208.3878 69  58516 30334 925      34 728        C-13-H3C-13-H2C-13-N
  711620.5753  0.0017 -3.4315 3  309.9410 89  58516 30344 837      43 736        C-13-H3C-13-H2C-13-N
  711764.2006  0.0031 -3.1318 3 1019.8565169  58516 30384 580      83 579        C-13-H3C-13-H2C-13-N
  711793.1033  0.0017 -3.4314 3  309.9356 89  58516 30344 836      43 737        C-13-H3C-13-H2C-13-N
  711854.1050  0.0031 -3.1317 3 1019.8392169  58516 30384 480      83 479        C-13-H3C-13-H2C-13-N
  711904.3512  0.0029 -5.4848 3  198.5576 67  58516 30333 925      33 726        C-13-H3C-13-H2C-13-N
  711908.7661  0.0029 -5.4848 3  198.5574 67  58516 30333 924      33 727        C-13-H3C-13-H2C-13-N
  711979.5344  0.0408 -4.9661 3 1854.9817165  58516 303823547      813546        C-13-H3C-13-H2C-13-N
  711979.5344  0.0408 -4.9661 3 1854.9817165  58516 303823548      813547        C-13-H3C-13-H2C-13-N
  712125.5287  0.0037 -3.7919 3  402.5796105  58516 30352 646      51 547        C-13-H3C-13-H2C-13-N
  712181.2199  0.0029 -5.5071 3  189.0173 65  58516 30332 924      32 725        C-13-H3C-13-H2C-13-N
  712184.1102  0.0029 -5.5071 3  189.0172 65  58516 30332 923      32 726        C-13-H3C-13-H2C-13-N
  712283.6431  0.0032 -4.3386 3 1019.8392169  58516 30384 580      83 479        C-13-H3C-13-H2C-13-N
  712424.5094  0.0535 -5.0769 3 1905.7293165  58516 303823646      813645        C-13-H3C-13-H2C-13-N
  712424.5094  0.0535 -5.0769 3 1905.7293165  58516 303823647      813646        C-13-H3C-13-H2C-13-N
  712424.8412  0.0032 -4.6017 3  187.5665 73  58516 30336 532      35 233        C-13-H3C-13-H2C-13-N
  712427.5890  0.0029 -5.5316 3  179.7671 63  58516 30331 923      31 724        C-13-H3C-13-H2C-13-N
  712429.4542  0.0029 -5.5316 3  179.7671 63  58516 30331 922      31 725        C-13-H3C-13-H2C-13-N
  712461.5975  0.0809 -5.1557 3  773.0613 91  58516 303452619      462522        C-13-H3C-13-H2C-13-N
  712461.5975  0.0809 -5.1557 3  773.0613 91  58516 303452620      462521        C-13-H3C-13-H2C-13-N
  712544.1477  0.0035 -3.0630 3  979.5609163  58516 30381 774      80 773        C-13-H3C-13-H2C-13-N
  712645.6390  0.0030 -5.5584 3  170.8070 61  58516 30330 922      30 723        C-13-H3C-13-H2C-13-N
  712646.8245  0.0030 -5.5584 3  170.8069 61  58516 30330 921      30 724        C-13-H3C-13-H2C-13-N
  712837.4415  0.0030 -5.5877 3  162.1367 59  58516 30329 921      29 722        C-13-H3C-13-H2C-13-N
  712838.1828  0.0030 -5.5877 3  162.1367 59  58516 30329 920      29 723        C-13-H3C-13-H2C-13-N
  712882.6001  0.0697 -5.1906 3 1957.7543165  58516 303823745      813744        C-13-H3C-13-H2C-13-N
  712882.6001  0.0697 -5.1906 3 1957.7543165  58516 303823746      813745        C-13-H3C-13-H2C-13-N
  712897.0650  0.0072 -5.2196 3  535.6310119  58516 30359 851      59 554        C-13-H3C-13-H2C-13-N
  712987.2581  0.0033 -5.1571 3  165.1773 67  58516 30333 627      32 428        C-13-H3C-13-H2C-13-N
  713004.9680  0.0031 -5.6197 3  153.7563 57  58516 30328 920      28 721        C-13-H3C-13-H2C-13-N
  713005.4235  0.0031 -5.6197 3  153.7563 57  58516 30328 919      28 722        C-13-H3C-13-H2C-13-N
  713150.0990  0.0032 -5.6544 3  145.6656 55  58516 30327 919      27 720        C-13-H3C-13-H2C-13-N
  713150.3737  0.0032 -5.6544 3  145.6656 55  58516 30327 918      27 721        C-13-H3C-13-H2C-13-N
  713224.8584  0.0035 -4.2815 3 1029.1059171  58516 30385 382      84 481        C-13-H3C-13-H2C-13-N
  713239.1888  0.0030 -3.0909 3  995.8037165  58516 30382 676      81 675        C-13-H3C-13-H2C-13-N
  713246.7241  0.0035 -3.1437 3 1029.1059171  58516 30385 482      84 481        C-13-H3C-13-H2C-13-N
  713251.8070  0.0035 -3.1437 3 1029.1050171  58516 30385 382      84 381        C-13-H3C-13-H2C-13-N
  713273.6727  0.0035 -4.2815 3 1029.1050171  58516 30385 482      84 381        C-13-H3C-13-H2C-13-N
  713274.6299  0.0032 -5.6923 3  137.8645 53  58516 30326 918      26 719        C-13-H3C-13-H2C-13-N
  713274.7922  0.0032 -5.6923 3  137.8645 53  58516 30326 917      26 720        C-13-H3C-13-H2C-13-N
  713353.4127  0.0902 -5.3072 3 2011.0453165  58516 303823844      813843        C-13-H3C-13-H2C-13-N
  713353.4127  0.0902 -5.3072 3 2011.0453165  58516 303823845      813844        C-13-H3C-13-H2C-13-N
  713380.2762  0.0033 -5.7334 3  130.3531 51  58516 30325 917      25 718        C-13-H3C-13-H2C-13-N
  713380.3701  0.0033 -5.7334 3  130.3531 51  58516 30325 916      25 719        C-13-H3C-13-H2C-13-N
  713499.9873  0.0032 -3.1445 3 1020.7246165  58516 30382 973      81 972        C-13-H3C-13-H2C-13-N
  713665.7795  0.0034 -4.4550 3 1032.9449169  58516 30384 579      83 678        C-13-H3C-13-H2C-13-N
  713737.2054  0.0512 -5.0856 3  673.6451 81  58516 303402515      412418        C-13-H3C-13-H2C-13-N
  713737.2054  0.0512 -5.0856 3  673.6451 81  58516 303402516      412417        C-13-H3C-13-H2C-13-N
  713836.5817  0.1158 -5.4266 3 2065.5910165  58516 303823943      813942        C-13-H3C-13-H2C-13-N
  713836.5817  0.1158 -5.4266 3 2065.5910165  58516 303823944      813943        C-13-H3C-13-H2C-13-N
  714331.7660  0.1477 -5.5489 3 2121.3796165  58516 303824042      814041        C-13-H3C-13-H2C-13-N
  714331.7660  0.1477 -5.5489 3 2121.3796165  58516 303824043      814042        C-13-H3C-13-H2C-13-N
  714665.0636  0.0037 -5.0472 3  209.2391 77  58516 30338 534      37 335        C-13-H3C-13-H2C-13-N
  714705.5374  0.0047 -5.7246 3  165.1773 65  58516 30332 725      32 428        C-13-H3C-13-H2C-13-N
  714838.6454  0.1873 -5.6739 3 2178.3997165  58516 303824141      814140        C-13-H3C-13-H2C-13-N
  714838.6454  0.1873 -5.6739 3 2178.3997165  58516 303824142      814141        C-13-H3C-13-H2C-13-N
  714856.6180  0.0042 -4.2355 3 1037.1234173  58516 30386 284      85 383        C-13-H3C-13-H2C-13-N
  714857.3355  0.0042 -3.1528 3 1037.1234173  58516 30386 384      85 383        C-13-H3C-13-H2C-13-N
  714857.5162  0.0042 -3.1528 3 1037.1234173  58516 30386 284      85 283        C-13-H3C-13-H2C-13-N
  714858.2338  0.0042 -4.2355 3 1037.1234173  58516 30386 384      85 283        C-13-H3C-13-H2C-13-N
  714926.5666  0.0307 -5.0800 3  582.8806 71  58516 303352411      362314        C-13-H3C-13-H2C-13-N
  714926.5666  0.0307 -5.0800 3  582.8806 71  58516 303352412      362313        C-13-H3C-13-H2C-13-N
  715307.1710  0.0020 -3.6022 3  381.3977101  58516 30350 743      49 644        C-13-H3C-13-H2C-13-N
  715340.4976  0.0097 -4.6867 3 1093.4703173  58516 30386 680      85 779        C-13-H3C-13-H2C-13-N
  715527.6562  0.0016 -3.3225 3  261.6950 79  58516 30339 931      38 830        C-13-H3C-13-H2C-13-N
  715528.8870  0.0016 -3.3225 3  261.6949 79  58516 30339 930      38 831        C-13-H3C-13-H2C-13-N
  715674.6399  0.0029 -3.5148 3 1195.8422167  58516 303831766      821765        C-13-H3C-13-H2C-13-N
  715674.6399  0.0029 -3.5148 3 1195.8422167  58516 303831767      821766        C-13-H3C-13-H2C-13-N
  715686.1869  0.0031 -3.5711 3 1221.7675167  58516 303831865      821864        C-13-H3C-13-H2C-13-N
  715686.1869  0.0031 -3.5711 3 1221.7675167  58516 303831866      821865        C-13-H3C-13-H2C-13-N
  715725.4466  0.0028 -3.4617 3 1171.4027167  58516 303831667      821666        C-13-H3C-13-H2C-13-N
  715725.4466  0.0028 -3.4617 3 1171.4027167  58516 303831668      821667        C-13-H3C-13-H2C-13-N
  715749.4497  0.0033 -3.6306 3 1249.1647167  58516 303831964      821963        C-13-H3C-13-H2C-13-N
  715749.4497  0.0033 -3.6306 3 1249.1647167  58516 303831965      821964        C-13-H3C-13-H2C-13-N
  715853.3771  0.0027 -3.4118 3 1148.4651167  58516 303831569      821568        C-13-H3C-13-H2C-13-N
  715853.3778  0.0027 -3.4118 3 1148.4651167  58516 303831568      821567        C-13-H3C-13-H2C-13-N
  715856.5573  0.0035 -3.6932 3 1278.0211167  58516 303832063      822062        C-13-H3C-13-H2C-13-N
  715856.5573  0.0035 -3.6932 3 1278.0211167  58516 303832064      822063        C-13-H3C-13-H2C-13-N
  716001.5537  0.0038 -3.7589 3 1308.3253167  58516 303832162      822161        C-13-H3C-13-H2C-13-N
  716001.5537  0.0038 -3.7589 3 1308.3253167  58516 303832163      822162        C-13-H3C-13-H2C-13-N
  716018.5725  0.0029 -3.1352 3 1021.0028167  58516 30383 777      82 776        C-13-H3C-13-H2C-13-N
  716020.5049  0.0174 -5.1784 3  500.7735 61  58516 3033023 7      312210        C-13-H3C-13-H2C-13-N
  716020.5049  0.0174 -5.1784 3  500.7735 61  58516 3033023 8      3122 9        C-13-H3C-13-H2C-13-N
  716079.6278  0.0026 -3.3650 3 1127.0492167  58516 303831470      821469        C-13-H3C-13-H2C-13-N
  716079.6424  0.0026 -3.3650 3 1127.0492167  58516 303831469      821468        C-13-H3C-13-H2C-13-N
  716179.8429  0.0041 -3.8277 3 1340.0663167  58516 303832261      822260        C-13-H3C-13-H2C-13-N
  716179.8429  0.0041 -3.8277 3 1340.0663167  58516 303832262      822261        C-13-H3C-13-H2C-13-N
  716387.8169  0.0045 -3.8996 3 1373.2335167  58516 303832360      822359        C-13-H3C-13-H2C-13-N
  716387.8169  0.0045 -3.8996 3 1373.2335167  58516 303832361      822360        C-13-H3C-13-H2C-13-N
  716435.8671  0.0025 -3.3214 3 1107.1806167  58516 303831371      821370        C-13-H3C-13-H2C-13-N
  716436.1271  0.0025 -3.3214 3 1107.1806167  58516 303831370      821369        C-13-H3C-13-H2C-13-N
  716532.6970  0.0054 -4.1965 3 1044.0210175  58516 30387 186      86 285        C-13-H3C-13-H2C-13-N
  716532.7108  0.0054 -3.1596 3 1044.0210175  58516 30387 286      86 285        C-13-H3C-13-H2C-13-N
  716532.7146  0.0054 -3.1596 3 1044.0210175  58516 30387 186      86 185        C-13-H3C-13-H2C-13-N
  716532.7285  0.0054 -4.1965 3 1044.0210175  58516 30387 286      86 185        C-13-H3C-13-H2C-13-N
  716547.9464  0.2557 -5.5859 3 1105.4856119  58516 303592930      602833        C-13-H3C-13-H2C-13-N
  716547.9464  0.2557 -5.5859 3 1105.4856119  58516 303592931      602832        C-13-H3C-13-H2C-13-N
  716622.5992  0.0048 -3.9746 3 1407.8166167  58516 303832459      822458        C-13-H3C-13-H2C-13-N
  716622.5992  0.0048 -3.9746 3 1407.8166167  58516 303832460      822459        C-13-H3C-13-H2C-13-N
  716799.6882  0.0038 -4.4133 3 1009.0350167  58516 30383 678      82 577        C-13-H3C-13-H2C-13-N
  716881.8635  0.0052 -4.0526 3 1443.8054167  58516 303832558      822557        C-13-H3C-13-H2C-13-N
  716881.8635  0.0052 -4.0526 3 1443.8054167  58516 303832559      822558        C-13-H3C-13-H2C-13-N
  716889.1603  0.0023 -3.6543 3  411.1531105  58516 30352 746      51 645        C-13-H3C-13-H2C-13-N
  716968.9155  0.0036 -5.6576 3   79.2861 43  58516 30321 714      20 515        C-13-H3C-13-H2C-13-N
  716971.0809  0.0024 -3.2811 3 1088.8941167  58516 303831272      821271        C-13-H3C-13-H2C-13-N
  716974.9330  0.0024 -3.2811 3 1088.8945167  58516 303831271      821270        C-13-H3C-13-H2C-13-N
  716983.1557  0.0036 -5.6575 3   79.2856 43  58516 30321 715      20 516        C-13-H3C-13-H2C-13-N
  717010.0734  0.0096 -5.5041 3  427.3287 51  58516 3032522 3      2621 6        C-13-H3C-13-H2C-13-N
  717010.0734  0.0096 -5.5041 3  427.3287 51  58516 3032522 4      2621 5        C-13-H3C-13-H2C-13-N
  717163.7029  0.0056 -4.1337 3 1481.1896167  58516 303832657      822656        C-13-H3C-13-H2C-13-N
  717163.7029  0.0056 -4.1337 3 1481.1896167  58516 303832658      822657        C-13-H3C-13-H2C-13-N
  717466.5350  0.0062 -4.2178 3 1519.9591167  58516 303832756      822755        C-13-H3C-13-H2C-13-N
  717466.5350  0.0062 -4.2178 3 1519.9591167  58516 303832757      822756        C-13-H3C-13-H2C-13-N
  717528.8212  0.0016 -3.2420 3  222.3041 69  58516 303341025      33 924        C-13-H3C-13-H2C-13-N
  717528.8240  0.0016 -3.2420 3  222.3041 69  58516 303341024      33 925        C-13-H3C-13-H2C-13-N
  717755.6212  0.0024 -3.2440 3 1072.2402167  58516 303831173      821172        C-13-H3C-13-H2C-13-N
  717789.0309  0.0071 -4.3049 3 1560.1036167  58516 303832855      822854        C-13-H3C-13-H2C-13-N
  717789.0309  0.0071 -4.3049 3 1560.1036167  58516 303832856      822855        C-13-H3C-13-H2C-13-N
  717801.6381  0.0024 -3.2440 3 1072.2459167  58516 303831172      821171        C-13-H3C-13-H2C-13-N
  718069.2110  0.1795 -5.4061 3  981.6046109  58516 303542826      552729        C-13-H3C-13-H2C-13-N
  718069.2110  0.1795 -5.4061 3  981.6046109  58516 303542827      552728        C-13-H3C-13-H2C-13-N
  718130.0613  0.0086 -4.3951 3 1601.6126167  58516 303832954      822953        C-13-H3C-13-H2C-13-N
  718130.0613  0.0086 -4.3951 3 1601.6126167  58516 303832955      822954        C-13-H3C-13-H2C-13-N
  718225.7296  0.0086 -4.1620 3 1049.8762177  58516 30388 088      87 187        C-13-H3C-13-H2C-13-N
  718225.7297  0.0086 -3.1642 3 1049.8762177  58516 30388 088      87 087        C-13-H3C-13-H2C-13-N
  718225.7297  0.0086 -3.1642 3 1049.8762177  58516 30388 188      87 187        C-13-H3C-13-H2C-13-N
  718225.7299  0.0086 -4.1620 3 1049.8762177  58516 30388 188      87 087        C-13-H3C-13-H2C-13-N
  718332.1320  0.0034 -5.1323 3  174.8418 69  58516 30334 628      33 429        C-13-H3C-13-H2C-13-N
  718334.5582  0.0030 -3.1518 3 1032.9449169  58516 30384 679      83 678        C-13-H3C-13-H2C-13-N
  718460.5032  0.0029 -5.1795 3  155.4408 65  58516 30332 627      31 428        C-13-H3C-13-H2C-13-N
  718488.6565  0.0109 -4.4882 3 1644.4758167  58516 303833053      823052        C-13-H3C-13-H2C-13-N
  718488.6565  0.0109 -4.4882 3 1644.4758167  58516 303833054      823053        C-13-H3C-13-H2C-13-N
  718719.3766  0.0017 -3.1833 3  191.6614 59  58516 303291118      281019        C-13-H3C-13-H2C-13-N
  718719.3766  0.0017 -3.1833 3  191.6614 59  58516 303291119      281018        C-13-H3C-13-H2C-13-N
  718819.6848  0.0026 -3.2103 3 1057.2851167  58516 303831074      821073        C-13-H3C-13-H2C-13-N
  718863.9746  0.0142 -4.5842 3 1688.6826167  58516 303833152      823151        C-13-H3C-13-H2C-13-N
  718863.9746  0.0142 -4.5842 3 1688.6826167  58516 303833153      823152        C-13-H3C-13-H2C-13-N
  719002.0605  0.0117 -5.6246 3  185.2558 75  58516 30337 335      36 136        C-13-H3C-13-H2C-13-N
  719060.1785  0.0117 -4.9168 3  185.2539 75  58516 30337 335      36 036        C-13-H3C-13-H2C-13-N
  719178.3249  0.0030 -3.1504 3 1032.7610169  58516 30384 579      83 578        C-13-H3C-13-H2C-13-N
  719243.1543  0.0026 -3.2099 3 1057.3455167  58516 303831073      821072        C-13-H3C-13-H2C-13-N
  719255.2772  0.0189 -4.6833 3 1734.2224167  58516 303833251      823250        C-13-H3C-13-H2C-13-N
  719255.2772  0.0189 -4.6833 3 1734.2224167  58516 303833252      823251        C-13-H3C-13-H2C-13-N
  719288.3923  0.0041 -3.1153 3 1010.6299165  58516 30382 874      81 873        C-13-H3C-13-H2C-13-N
  719326.3127  0.0030 -3.1554 3 1032.2405167  58516 30383 876      82 875        C-13-H3C-13-H2C-13-N
  719419.2911  0.0032 -4.3707 3 1043.5984171  58516 30385 481      84 580        C-13-H3C-13-H2C-13-N
  719433.1075  0.0150 -5.7194 3  391.3629105  58516 30352 448      52 151        C-13-H3C-13-H2C-13-N
  719480.8388  0.0019 -3.1418 3  169.7208 49  58516 303241212      231113        C-13-H3C-13-H2C-13-N
  719480.8388  0.0019 -3.1418 3  169.7208 49  58516 303241213      231112        C-13-H3C-13-H2C-13-N
  719501.3437  0.0253 -5.0675 3 1231.9989183  58516 30391 784      90 883        C-13-H3C-13-H2C-13-N
  719529.3170  0.1225 -5.2593 3  866.3527 99  58516 303492722      502625        C-13-H3C-13-H2C-13-N
  719529.3170  0.1225 -5.2593 3  866.3527 99  58516 303492723      502624        C-13-H3C-13-H2C-13-N
  719661.9109  0.0252 -4.7852 3 1781.0842167  58516 303833350      823349        C-13-H3C-13-H2C-13-N
  719661.9109  0.0252 -4.7852 3 1781.0842167  58516 303833351      823350        C-13-H3C-13-H2C-13-N
  719673.3632  0.0057 -4.0210 3  365.7886101  58516 30350 545      49 446        C-13-H3C-13-H2C-13-N
  719774.1816  0.0032 -3.1667 3 1043.5984171  58516 30385 581      84 580        C-13-H3C-13-H2C-13-N
  719790.1836  0.0028 -3.1804 3 1044.0471167  58516 30383 975      82 974        C-13-H3C-13-H2C-13-N
  719802.9093  0.0017 -3.4441 3  322.6806 91  58516 30345 838      44 737        C-13-H3C-13-H2C-13-N
  719848.8292  0.0032 -3.1666 3 1043.5841171  58516 30385 481      84 480        C-13-H3C-13-H2C-13-N
  719933.0079  0.0067 -5.3572 3  371.8864101  58516 30350 645      50 348        C-13-H3C-13-H2C-13-N
  719970.2341  0.0023 -3.1123 3  156.4618 39  58516 3031913 6      1812 7        C-13-H3C-13-H2C-13-N
  719970.2341  0.0023 -3.1123 3  156.4618 39  58516 3031913 7      1812 6        C-13-H3C-13-H2C-13-N
  720038.0861  0.0017 -3.4439 3  322.6733 91  58516 30345 837      44 738        C-13-H3C-13-H2C-13-N
  720083.2913  0.0334 -4.8901 3 1829.2574167  58516 303833449      823448        C-13-H3C-13-H2C-13-N
  720083.2913  0.0334 -4.8901 3 1829.2574167  58516 303833450      823449        C-13-H3C-13-H2C-13-N
  720203.7197  0.0033 -4.3697 3 1043.5841171  58516 30385 581      84 480        C-13-H3C-13-H2C-13-N
  720255.0182  0.0027 -3.0852 3  151.8759 29  58516 3031414 0      1313 1        C-13-H3C-13-H2C-13-N
  720255.0182  0.0027 -3.0852 3  151.8759 29  58516 3031414 1      1313 0        C-13-H3C-13-H2C-13-N
  720518.8918  0.0439 -4.9979 3 1878.7307167  58516 303833548      823547        C-13-H3C-13-H2C-13-N
  720518.8918  0.0439 -4.9979 3 1878.7307167  58516 303833549      823548        C-13-H3C-13-H2C-13-N
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  720968.2337  0.0574 -5.1086 3 1929.4932167  58516 303833648      823647        C-13-H3C-13-H2C-13-N
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  721246.2463  0.0036 -4.3142 3 1052.8972173  58516 30386 383      85 482        C-13-H3C-13-H2C-13-N
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  721285.8464  0.0036 -4.3142 3 1052.8965173  58516 30386 483      85 382        C-13-H3C-13-H2C-13-N
  721430.8788  0.0744 -5.2222 3 1981.5335167  58516 303833746      823745        C-13-H3C-13-H2C-13-N
  721430.8788  0.0744 -5.2222 3 1981.5335167  58516 303833747      823746        C-13-H3C-13-H2C-13-N
  721600.9620  0.0106 -5.6196 3  335.1001 97  58516 30348 544      48 247        C-13-H3C-13-H2C-13-N
  721705.4472  0.0051 -5.6151 3   96.0019 53  58516 30326 521      25 224        C-13-H3C-13-H2C-13-N
  721867.5753  0.0033 -4.5577 3  197.9798 75  58516 30337 533      36 234        C-13-H3C-13-H2C-13-N
  721906.4227  0.0958 -5.3386 3 2034.8402167  58516 303833845      823844        C-13-H3C-13-H2C-13-N
  721906.4227  0.0958 -5.3386 3 2034.8402167  58516 303833846      823845        C-13-H3C-13-H2C-13-N
  722229.0088  0.0512 -5.0945 3  661.7705 79  58516 303392514      402417        C-13-H3C-13-H2C-13-N
  722229.0088  0.0512 -5.0945 3  661.7705 79  58516 303392515      402416        C-13-H3C-13-H2C-13-N
  722299.3034  0.0025 -3.6782 3  426.3336107  58516 30353 747      52 646        C-13-H3C-13-H2C-13-N
  722394.4903  0.1225 -5.4578 3 2089.4020167  58516 303833944      823943        C-13-H3C-13-H2C-13-N
  722394.4903  0.1225 -5.4578 3 2089.4020167  58516 303833945      823944        C-13-H3C-13-H2C-13-N
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  722495.8819  0.0034 -3.1781 3 1044.5244167  58516 30383 974      82 973        C-13-H3C-13-H2C-13-N
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  722880.1434  0.0043 -3.1880 3 1060.9685175  58516 30387 385      86 384        C-13-H3C-13-H2C-13-N
  722880.2878  0.0043 -3.1880 3 1060.9685175  58516 30387 285      86 284        C-13-H3C-13-H2C-13-N
  722880.8609  0.0043 -4.2694 3 1060.9685175  58516 30387 385      86 284        C-13-H3C-13-H2C-13-N
  722894.7316  0.1556 -5.5799 3 2145.2072167  58516 303834043      824042        C-13-H3C-13-H2C-13-N
  722894.7316  0.1556 -5.5799 3 2145.2072167  58516 303834044      824043        C-13-H3C-13-H2C-13-N
  723280.8185  0.0295 -5.4801 3  939.4326159  58516 30379 871      79 574        C-13-H3C-13-H2C-13-N
  723290.9623  0.0034 -5.1089 3  184.8111 71  58516 30335 629      34 430        C-13-H3C-13-H2C-13-N
  723406.8184  0.1965 -5.7048 3 2202.2441167  58516 303834142      824141        C-13-H3C-13-H2C-13-N
  723406.8184  0.1965 -5.7048 3 2202.2441167  58516 303834143      824142        C-13-H3C-13-H2C-13-N
  723449.9832  0.0308 -5.1086 3  572.4544 69  58516 303342410      352313        C-13-H3C-13-H2C-13-N
  723449.9832  0.0308 -5.1086 3  572.4544 69  58516 303342411      352312        C-13-H3C-13-H2C-13-N
  723608.3540  0.0047 -4.7552 3  350.9381 99  58516 30349 544      48 345        C-13-H3C-13-H2C-13-N
  723847.1037  0.0038 -4.4422 3 1032.7610169  58516 30384 679      83 578        C-13-H3C-13-H2C-13-N
  723861.6629  0.0062 -4.2596 3  303.8677 93  58516 30346 442      45 343        C-13-H3C-13-H2C-13-N
  723886.9145  0.0021 -3.6220 3  395.9008103  58516 30351 744      50 645        C-13-H3C-13-H2C-13-N
  724011.0876  0.0016 -3.3306 3  272.9673 81  58516 30340 932      39 831        C-13-H3C-13-H2C-13-N
  724012.9412  0.0016 -3.3306 3  272.9672 81  58516 30340 931      39 832        C-13-H3C-13-H2C-13-N
  724180.0845  0.0030 -3.1702 3 1044.8866169  58516 30384 778      83 777        C-13-H3C-13-H2C-13-N
  724192.9821  0.0030 -3.5489 3 1219.7146169  58516 303841767      831766        C-13-H3C-13-H2C-13-N
  724192.9821  0.0030 -3.5489 3 1219.7146169  58516 303841768      831767        C-13-H3C-13-H2C-13-N
  724199.0752  0.0032 -3.6052 3 1245.6403169  58516 303841866      831865        C-13-H3C-13-H2C-13-N
  724199.0752  0.0032 -3.6052 3 1245.6403169  58516 303841867      831866        C-13-H3C-13-H2C-13-N
  724251.1697  0.0029 -3.4958 3 1195.2767169  58516 303841668      831667        C-13-H3C-13-H2C-13-N
  724251.1697  0.0029 -3.4958 3 1195.2767169  58516 303841669      831668        C-13-H3C-13-H2C-13-N
  724258.3981  0.0034 -3.6646 3 1273.0395169  58516 303841965      831964        C-13-H3C-13-H2C-13-N
  724258.3981  0.0034 -3.6646 3 1273.0395169  58516 303841966      831965        C-13-H3C-13-H2C-13-N
  724362.7848  0.0036 -3.7271 3 1301.8995169  58516 303842064      832063        C-13-H3C-13-H2C-13-N
  724362.7848  0.0036 -3.7271 3 1301.8995169  58516 303842065      832064        C-13-H3C-13-H2C-13-N
  724389.0077  0.0027 -3.4459 3 1172.3434169  58516 303841570      831569        C-13-H3C-13-H2C-13-N
  724389.0086  0.0027 -3.4459 3 1172.3434169  58516 303841569      831568        C-13-H3C-13-H2C-13-N
  724506.0619  0.0039 -3.7927 3 1332.2085169  58516 303842163      832162        C-13-H3C-13-H2C-13-N
  724506.0619  0.0039 -3.7927 3 1332.2085169  58516 303842164      832163        C-13-H3C-13-H2C-13-N
  724523.3342  0.0131 -4.9313 3  195.4415 77  58516 30338 236      37 137        C-13-H3C-13-H2C-13-N
  724558.3412  0.0055 -4.2313 3 1067.9219177  58516 30388 187      87 286        C-13-H3C-13-H2C-13-N
  724558.3521  0.0055 -3.1950 3 1067.9219177  58516 30388 287      87 286        C-13-H3C-13-H2C-13-N
  724558.3551  0.0055 -3.1950 3 1067.9219177  58516 30388 187      87 186        C-13-H3C-13-H2C-13-N
  724558.3660  0.0055 -4.2313 3 1067.9219177  58516 30388 287      87 186        C-13-H3C-13-H2C-13-N
  724568.8933  0.0131 -5.6408 3  195.4400 77  58516 30338 236      37 037        C-13-H3C-13-H2C-13-N
  724572.7812  0.0175 -5.2446 3  491.7960 59  58516 3032923 6      3022 9        C-13-H3C-13-H2C-13-N
  724572.7812  0.0175 -5.2446 3  491.7960 59  58516 3032923 7      3022 8        C-13-H3C-13-H2C-13-N
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  724628.6233  0.0026 -3.3992 3 1150.9351169  58516 303841470      831469        C-13-H3C-13-H2C-13-N
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  724683.4695  0.0043 -3.8615 3 1363.9554169  58516 303842263      832262        C-13-H3C-13-H2C-13-N
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  724891.2738  0.0046 -3.9333 3 1397.1296169  58516 303842362      832361        C-13-H3C-13-H2C-13-N
  724892.9702  0.2558 -5.5606 3 1088.1124117  58516 303582929      592832        C-13-H3C-13-H2C-13-N
  724892.9702  0.2558 -5.5606 3 1088.1124117  58516 303582930      592831        C-13-H3C-13-H2C-13-N
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  725003.4187  0.0025 -3.3557 3 1131.0783169  58516 303841371      831370        C-13-H3C-13-H2C-13-N
  725126.4995  0.0050 -4.0082 3 1431.7206169  58516 303842460      832459        C-13-H3C-13-H2C-13-N
  725126.4995  0.0050 -4.0082 3 1431.7206169  58516 303842461      832460        C-13-H3C-13-H2C-13-N
  725386.7416  0.0054 -4.0862 3 1467.7180169  58516 303842559      832558        C-13-H3C-13-H2C-13-N
  725386.7416  0.0054 -4.0862 3 1467.7180169  58516 303842560      832559        C-13-H3C-13-H2C-13-N
  725432.1627  0.0058 -5.2167 3  213.4250 79  58516 30339 436      38 237        C-13-H3C-13-H2C-13-N
  725440.5865  0.0035 -5.6054 3   85.3574 45  58516 30322 715      21 516        C-13-H3C-13-H2C-13-N
  725463.6169  0.0035 -5.6054 3   85.3566 45  58516 30322 716      21 517        C-13-H3C-13-H2C-13-N
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  725568.5746  0.0024 -3.3154 3 1112.8102169  58516 303841272      831271        C-13-H3C-13-H2C-13-N
  725588.4864  0.0098 -5.6832 3  419.8002 49  58516 3032422 2      2521 5        C-13-H3C-13-H2C-13-N
  725588.4864  0.0098 -5.6832 3  419.8002 49  58516 3032422 3      2521 4        C-13-H3C-13-H2C-13-N
  725622.0978  0.0040 -3.8235 3  417.6149107  58516 30353 647      52 548        C-13-H3C-13-H2C-13-N
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  725670.0303  0.0058 -4.1672 3 1505.1116169  58516 303842659      832658        C-13-H3C-13-H2C-13-N
  725939.8001  0.0208 -5.4403 3  797.0531147  58516 30373 766      73 469        C-13-H3C-13-H2C-13-N
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  725974.7314  0.0065 -4.2513 3 1543.8912169  58516 303842758      832757        C-13-H3C-13-H2C-13-N
  726034.7941  0.0140 -5.4404 3  646.6699133  58516 30366 660      66 363        C-13-H3C-13-H2C-13-N
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  726130.5626  0.0016 -3.2464 3  232.1243 71  58516 303351025      34 926        C-13-H3C-13-H2C-13-N
  726252.9308  0.0087 -4.1974 3 1073.8336179  58516 30389 089      88 188        C-13-H3C-13-H2C-13-N
  726252.9309  0.0087 -3.1998 3 1073.8336179  58516 30389 089      88 088        C-13-H3C-13-H2C-13-N
  726252.9309  0.0087 -3.1998 3 1073.8336179  58516 30389 189      88 188        C-13-H3C-13-H2C-13-N
  726252.9310  0.0087 -4.1974 3 1073.8336179  58516 30389 189      88 088        C-13-H3C-13-H2C-13-N
  726299.4731  0.0076 -4.3383 3 1584.0464169  58516 303842856      832855        C-13-H3C-13-H2C-13-N
  726299.4731  0.0076 -4.3383 3 1584.0464169  58516 303842857      832856        C-13-H3C-13-H2C-13-N
  726357.8909  0.0030 -3.1871 3 1056.9059171  58516 30385 680      84 679        C-13-H3C-13-H2C-13-N
  726381.9174  0.0025 -3.2784 3 1096.1820169  58516 303841174      831173        C-13-H3C-13-H2C-13-N
  726439.3405  0.0025 -3.2784 3 1096.1892169  58516 303841173      831172        C-13-H3C-13-H2C-13-N
  726456.4336  0.1795 -5.3873 3  965.6766107  58516 303532825      542728        C-13-H3C-13-H2C-13-N
  726456.4336  0.1795 -5.3873 3  965.6766107  58516 303532826      542727        C-13-H3C-13-H2C-13-N
  726635.8773  0.0057 -4.5278 3  213.3848 79  58516 30339 436      38 137        C-13-H3C-13-H2C-13-N
  726640.8479  0.0134 -5.5253 3  511.3929119  58516 30359 554      59 257        C-13-H3C-13-H2C-13-N
  726643.0907  0.0093 -4.4284 3 1625.5668169  58516 303842955      832954        C-13-H3C-13-H2C-13-N
  726643.0907  0.0093 -4.4284 3 1625.5668169  58516 303842956      832955        C-13-H3C-13-H2C-13-N
  726685.1167  0.0091 -4.7078 3 1118.1687175  58516 30387 681      86 780        C-13-H3C-13-H2C-13-N
  726901.3551  0.0029 -5.1532 3  164.7095 67  58516 30333 628      32 429        C-13-H3C-13-H2C-13-N
  727004.5844  0.0118 -4.5214 3 1668.4420169  58516 303843054      833053        C-13-H3C-13-H2C-13-N
  727004.5844  0.0118 -4.5214 3 1668.4420169  58516 303843055      833054        C-13-H3C-13-H2C-13-N
  727079.1058  0.0030 -3.1859 3 1056.7502171  58516 30385 580      84 579        C-13-H3C-13-H2C-13-N
  727242.5100  0.0046 -5.5136 3  215.3628 75  58516 30337 731      37 434        C-13-H3C-13-H2C-13-N
  727292.5588  0.0045 -5.5495 3  204.6596 73  58516 30336 730      36 433        C-13-H3C-13-H2C-13-N
  727306.3401  0.0026 -3.7034 3  441.8190109  58516 30354 748      53 647        C-13-H3C-13-H2C-13-N
  727364.9746  0.0047 -5.4804 3  226.3508 77  58516 30338 732      38 435        C-13-H3C-13-H2C-13-N
  727376.2086  0.0017 -3.1845 3  200.0355 61  58516 303301119      291020        C-13-H3C-13-H2C-13-N
  727376.2086  0.0017 -3.1845 3  200.0355 61  58516 303301120      291019        C-13-H3C-13-H2C-13-N
  727383.0866  0.0155 -4.6174 3 1712.6613169  58516 303843153      833152        C-13-H3C-13-H2C-13-N
  727383.0866  0.0155 -4.6174 3 1712.6613169  58516 303843154      833153        C-13-H3C-13-H2C-13-N
  727473.8894  0.0026 -3.2448 3 1081.2623169  58516 303841075      831074        C-13-H3C-13-H2C-13-N
  727487.7271  0.0033 -4.4025 3 1067.6075173  58516 30386 482      85 581        C-13-H3C-13-H2C-13-N
  727489.7074  0.0045 -5.5882 3  194.2420 71  58516 30335 729      35 432        C-13-H3C-13-H2C-13-N
  727686.2317  0.0047 -5.4497 3  237.6228 79  58516 30339 733      39 436        C-13-H3C-13-H2C-13-N
  727736.6473  0.0031 -3.1903 3 1056.2347169  58516 30384 877      83 876        C-13-H3C-13-H2C-13-N
  727777.8372  0.0206 -4.7163 3 1758.2141169  58516 303843252      833251        C-13-H3C-13-H2C-13-N
  727777.8372  0.0206 -4.7163 3 1758.2141169  58516 303843253      833252        C-13-H3C-13-H2C-13-N
  727780.7072  0.0033 -3.2022 3 1067.6075173  58516 30386 582      85 581        C-13-H3C-13-H2C-13-N
  727809.6070  0.0045 -5.6296 3  184.1107 69  58516 30334 728      34 431        C-13-H3C-13-H2C-13-N
  727842.6176  0.0033 -3.2021 3 1067.5957173  58516 30386 482      85 481        C-13-H3C-13-H2C-13-N
  727862.7715  0.0035 -5.0866 3  195.0853 73  58516 30336 630      35 431        C-13-H3C-13-H2C-13-N
  727937.1084  0.0017 -3.4577 3  335.7121 93  58516 30346 839      45 738        C-13-H3C-13-H2C-13-N
  727942.9344  0.0038 -5.0411 3  220.1058 79  58516 30339 535      38 336        C-13-H3C-13-H2C-13-N
  727956.0419  0.1226 -5.2483 3  851.8712 97  58516 303482721      492624        C-13-H3C-13-H2C-13-N
  727956.0419  0.1226 -5.2483 3  851.8712 97  58516 303482722      492623        C-13-H3C-13-H2C-13-N
  727985.5046  0.0027 -3.2443 3 1081.3369169  58516 303841074      831073        C-13-H3C-13-H2C-13-N
  728108.5426  0.0502 -5.5443 3 1434.0527197  58516 30398 890      97 989        C-13-H3C-13-H2C-13-N
  728135.5977  0.0034 -4.4017 3 1067.5957173  58516 30386 582      85 481        C-13-H3C-13-H2C-13-N
  728162.8445  0.0019 -3.1404 3  176.6514 51  58516 303251213      241114        C-13-H3C-13-H2C-13-N
  728162.8445  0.0019 -3.1404 3  176.6514 51  58516 303251214      241113        C-13-H3C-13-H2C-13-N
  728188.1633  0.0273 -4.8182 3 1805.0896169  58516 303843351      833350        C-13-H3C-13-H2C-13-N
  728188.1633  0.0273 -4.8182 3 1805.0896169  58516 303843352      833351        C-13-H3C-13-H2C-13-N
  728229.1586  0.0044 -5.6738 3  174.2663 67  58516 30333 727      33 430        C-13-H3C-13-H2C-13-N
  728233.2148  0.0048 -5.4217 3  249.1781 81  58516 30340 734      40 437        C-13-H3C-13-H2C-13-N
  728255.1327  0.0018 -3.4574 3  335.7022 93  58516 30346 838      45 739        C-13-H3C-13-H2C-13-N
  728360.6511  0.0060 -4.9634 3  303.7176 93  58516 30346 442      45 243        C-13-H3C-13-H2C-13-N
  728384.9442  0.0042 -3.1493 3 1034.6228167  58516 30383 875      82 874        C-13-H3C-13-H2C-13-N
  728398.0136  0.0029 -3.2150 3 1068.0567169  58516 30384 976      83 975        C-13-H3C-13-H2C-13-N
  728613.4640  0.0361 -4.9230 3 1853.2768169  58516 303843450      833449        C-13-H3C-13-H2C-13-N
  728613.4640  0.0361 -4.9230 3 1853.2768169  58516 303843451      833450        C-13-H3C-13-H2C-13-N
  728661.9629  0.0022 -3.1092 3  161.9497 41  58516 3032013 7      1912 8        C-13-H3C-13-H2C-13-N
  728661.9629  0.0022 -3.1092 3  161.9497 41  58516 3032013 8      1912 7        C-13-H3C-13-H2C-13-N
  728667.0040  0.0031 -3.1621 3 1043.6434169  58516 30384 678      83 677        C-13-H3C-13-H2C-13-N
  728726.6809  0.0044 -5.7210 3  164.7095 65  58516 30332 726      32 429        C-13-H3C-13-H2C-13-N
  728947.8602  0.0026 -3.0828 3  155.9207 31  58516 3031514 1      1413 2        C-13-H3C-13-H2C-13-N
  728947.8602  0.0026 -3.0828 3  155.9207 31  58516 3031514 2      1413 1        C-13-H3C-13-H2C-13-N
  729033.2916  0.0049 -5.3963 3  261.0158 83  58516 30341 735      41 438        C-13-H3C-13-H2C-13-N
  729053.1980  0.0473 -5.0306 3 1902.7647169  58516 303843549      833548        C-13-H3C-13-H2C-13-N
  729053.1980  0.0473 -5.0306 3 1902.7647169  58516 303843550      833549        C-13-H3C-13-H2C-13-N
  729221.6201  0.0035 -4.3837 3  234.0921 35  58516 3031717 0      1716 1        C-13-H3C-13-H2C-13-N
  729221.6201  0.0035 -4.3837 3  234.0921 35  58516 3031717 1      1716 2        C-13-H3C-13-H2C-13-N
  729263.8080  0.0037 -4.3478 3 1076.9560175  58516 30387 384      86 483        C-13-H3C-13-H2C-13-N
  729271.6674  0.0034 -4.1049 3  239.2965 37  58516 3031817 1      1816 2        C-13-H3C-13-H2C-13-N
  729271.6674  0.0034 -4.1049 3  239.2965 37  58516 3031817 2      1816 3        C-13-H3C-13-H2C-13-N
  729278.1864  0.0037 -3.2145 3 1076.9560175  58516 30387 484      86 483        C-13-H3C-13-H2C-13-N
  729281.5424  0.0037 -3.2145 3 1076.9554175  58516 30387 384      86 383        C-13-H3C-13-H2C-13-N
  729281.8867  0.0035 -3.1323 3 1027.3773167  58516 30383 776      82 775        C-13-H3C-13-H2C-13-N
  729295.9209  0.0037 -4.3477 3 1076.9554175  58516 30387 484      86 383        C-13-H3C-13-H2C-13-N
  729324.0962  0.0034 -3.9507 3  244.7898 39  58516 3031917 2      1916 3        C-13-H3C-13-H2C-13-N
  729324.0962  0.0034 -3.9507 3  244.7898 39  58516 3031917 3      1916 4        C-13-H3C-13-H2C-13-N
  729378.8426  0.0033 -3.8474 3  250.5722 41  58516 3032017 3      2016 4        C-13-H3C-13-H2C-13-N
  729378.8426  0.0033 -3.8474 3  250.5722 41  58516 3032017 4      2016 5        C-13-H3C-13-H2C-13-N
  729382.5149  0.0809 -5.1508 3  746.7047 87  58516 303432617      442520        C-13-H3C-13-H2C-13-N
  729382.5149  0.0809 -5.1508 3  746.7047 87  58516 303432618      442519        C-13-H3C-13-H2C-13-N
  729435.8394  0.0032 -3.7720 3  256.6434 43  58516 3032117 4      2116 5        C-13-H3C-13-H2C-13-N
  729435.8394  0.0032 -3.7720 3  256.6434 43  58516 3032117 5      2116 6        C-13-H3C-13-H2C-13-N
  729495.0161  0.0031 -3.7143 3  263.0036 45  58516 3032217 5      2216 6        C-13-H3C-13-H2C-13-N
  729495.0161  0.0031 -3.7143 3  263.0036 45  58516 3032217 6      2216 7        C-13-H3C-13-H2C-13-N
  729506.8734  0.0615 -5.1412 3 1953.5421169  58516 303843648      833647        C-13-H3C-13-H2C-13-N
  729506.8734  0.0615 -5.1412 3 1953.5421169  58516 303843649      833648        C-13-H3C-13-H2C-13-N
  729556.2992  0.0030 -3.6689 3  269.6526 47  58516 3032317 6      2316 7        C-13-H3C-13-H2C-13-N
  729556.2992  0.0030 -3.6689 3  269.6526 47  58516 3032317 7      2316 8        C-13-H3C-13-H2C-13-N
  729619.6118  0.0030 -3.6324 3  276.5904 49  58516 3032417 7      2416 8        C-13-H3C-13-H2C-13-N
  729619.6118  0.0030 -3.6324 3  276.5904 49  58516 3032417 8      2416 9        C-13-H3C-13-H2C-13-N
  729630.6302  0.0069 -5.2506 3  501.1854115  58516 30357 849      57 552        C-13-H3C-13-H2C-13-N
  729684.8742  0.0029 -3.6030 3  283.8171 51  58516 3032517 8      2516 9        C-13-H3C-13-H2C-13-N
  729684.8742  0.0029 -3.6030 3  283.8171 51  58516 3032517 9      251610        C-13-H3C-13-H2C-13-N
  729752.0035  0.0028 -3.5791 3  291.3325 53  58516 3032617 9      261610        C-13-H3C-13-H2C-13-N
  729752.0035  0.0028 -3.5791 3  291.3325 53  58516 303261710      261611        C-13-H3C-13-H2C-13-N
  729820.9137  0.0028 -3.5598 3  299.1367 55  58516 303271710      271611        C-13-H3C-13-H2C-13-N
  729820.9137  0.0028 -3.5598 3  299.1367 55  58516 303271711      271612        C-13-H3C-13-H2C-13-N
  729891.5157  0.0027 -3.5443 3  307.2296 57  58516 303281711      281612        C-13-H3C-13-H2C-13-N
  729891.5157  0.0027 -3.5443 3  307.2296 57  58516 303281712      281613        C-13-H3C-13-H2C-13-N
  729963.7177  0.0027 -3.5321 3  315.6111 59  58516 303291712      291613        C-13-H3C-13-H2C-13-N
  729963.7177  0.0027 -3.5321 3  315.6111 59  58516 303291713      291614        C-13-H3C-13-H2C-13-N
  729974.0400  0.0794 -5.2546 3 2005.5978169  58516 303843747      833746        C-13-H3C-13-H2C-13-N
  729974.0400  0.0794 -5.2546 3 2005.5978169  58516 303843748      833747        C-13-H3C-13-H2C-13-N
  729983.0627  0.0136 -5.6943 3 1702.7755205  58516 303A21785      A21686        C-13-H3C-13-H2C-13-N
  729983.1019  0.0136 -5.6943 3 1702.7755205  58516 303A21786      A21687        C-13-H3C-13-H2C-13-N
  730037.4246  0.0026 -3.5228 3  324.2812 61  58516 303301713      301614        C-13-H3C-13-H2C-13-N
  730037.4246  0.0026 -3.5228 3  324.2812 61  58516 303301714      301615        C-13-H3C-13-H2C-13-N
  730112.5384  0.0026 -3.5160 3  333.2400 63  58516 303311714      311615        C-13-H3C-13-H2C-13-N
  730112.5384  0.0026 -3.5160 3  333.2400 63  58516 303311715      311616        C-13-H3C-13-H2C-13-N
  730114.0369  0.0050 -5.3734 3  273.1352 85  58516 30342 736      42 439        C-13-H3C-13-H2C-13-N
  730188.9584  0.0026 -3.5116 3  342.4873 65  58516 303321715      321616        C-13-H3C-13-H2C-13-N
  730188.9584  0.0026 -3.5116 3  342.4873 65  58516 303321716      321617        C-13-H3C-13-H2C-13-N
  730216.5969  0.0133 -5.6383 3 1673.5197203  58516 303A11784      A11685        C-13-H3C-13-H2C-13-N
  730216.6264  0.0133 -5.6383 3 1673.5197203  58516 303A11785      A11686        C-13-H3C-13-H2C-13-N
  730266.5809  0.0025 -3.5091 3  352.0230 67  58516 303331716      331617        C-13-H3C-13-H2C-13-N
  730266.5809  0.0025 -3.5091 3  352.0230 67  58516 303331717      331618        C-13-H3C-13-H2C-13-N
  730345.2992  0.0025 -3.5086 3  361.8473 69  58516 303341717      341618        C-13-H3C-13-H2C-13-N
  730345.2992  0.0025 -3.5086 3  361.8473 69  58516 303341718      341619        C-13-H3C-13-H2C-13-N
  730425.0040  0.0025 -3.5098 3  371.9599 71  58516 303351718      351619        C-13-H3C-13-H2C-13-N
  730425.0040  0.0025 -3.5098 3  371.9599 71  58516 303351719      351620        C-13-H3C-13-H2C-13-N
  730438.0939  0.0130 -5.5829 3 1644.5459201  58516 303A01783      A01684        C-13-H3C-13-H2C-13-N
  730438.1160  0.0130 -5.5829 3 1644.5459201  58516 303A01784      A01685        C-13-H3C-13-H2C-13-N
  730454.2829  0.1018 -5.3709 3 2058.9204169  58516 303843846      833845        C-13-H3C-13-H2C-13-N
  730454.2829  0.1018 -5.3709 3 2058.9204169  58516 303843847      833846        C-13-H3C-13-H2C-13-N
  730505.5831  0.0025 -3.5126 3  382.3609 73  58516 303361719      361620        C-13-H3C-13-H2C-13-N
  730505.5831  0.0025 -3.5126 3  382.3609 73  58516 303361720      361621        C-13-H3C-13-H2C-13-N
  730586.9215  0.0025 -3.5169 3  393.0503 75  58516 303371720      371621        C-13-H3C-13-H2C-13-N
  730586.9215  0.0025 -3.5169 3  393.0503 75  58516 303371721      371622        C-13-H3C-13-H2C-13-N
  730647.8459  0.0128 -5.5281 3 1615.8543199  58516 303991782      991683        C-13-H3C-13-H2C-13-N
  730647.8624  0.0128 -5.5281 3 1615.8543199  58516 303991783      991684        C-13-H3C-13-H2C-13-N
  730668.9015  0.0025 -3.5226 3  404.0278 77  58516 303381721      381622        C-13-H3C-13-H2C-13-N
  730668.9015  0.0025 -3.5226 3  404.0278 77  58516 303381722      381623        C-13-H3C-13-H2C-13-N
  730726.5142  0.0513 -5.1074 3  650.1845 77  58516 303382513      392416        C-13-H3C-13-H2C-13-N
  730726.5142  0.0513 -5.1074 3  650.1845 77  58516 303382514      392415        C-13-H3C-13-H2C-13-N
  730751.4028  0.0025 -3.5297 3  415.2936 79  58516 303391722      391623        C-13-H3C-13-H2C-13-N
  730751.4028  0.0025 -3.5297 3  415.2936 79  58516 303391723      391624        C-13-H3C-13-H2C-13-N
  730834.3021  0.0025 -3.5380 3  426.8476 81  58516 303401723      401624        C-13-H3C-13-H2C-13-N
  730834.3021  0.0025 -3.5380 3  426.8476 81  58516 303401724      401625        C-13-H3C-13-H2C-13-N
  730846.1405  0.0125 -5.4740 3 1587.4450197  58516 303981781      981682        C-13-H3C-13-H2C-13-N
  730846.1527  0.0125 -5.4740 3 1587.4450197  58516 303981782      981683        C-13-H3C-13-H2C-13-N
  730899.3236  0.0044 -4.3041 3 1085.0812177  58516 30388 286      87 385        C-13-H3C-13-H2C-13-N
  730899.7814  0.0044 -3.2240 3 1085.0812177  58516 30388 386      87 385        C-13-H3C-13-H2C-13-N
  730899.8967  0.0044 -3.2240 3 1085.0812177  58516 30388 286      87 285        C-13-H3C-13-H2C-13-N
  730900.3545  0.0044 -4.3041 3 1085.0812177  58516 30388 386      87 285        C-13-H3C-13-H2C-13-N
  730917.4739  0.0025 -3.5476 3  438.6896 83  58516 303411724      411625        C-13-H3C-13-H2C-13-N
  730917.4739  0.0025 -3.5476 3  438.6896 83  58516 303411725      411626        C-13-H3C-13-H2C-13-N
  730947.2173  0.1296 -5.4900 3 2113.4985169  58516 303843945      833944        C-13-H3C-13-H2C-13-N
  730947.2173  0.1296 -5.4900 3 2113.4985169  58516 303843946      833945        C-13-H3C-13-H2C-13-N
  731000.7897  0.0025 -3.5583 3  450.8197 85  58516 303421725      421626        C-13-H3C-13-H2C-13-N
  731000.7897  0.0025 -3.5583 3  450.8197 85  58516 303421726      421627        C-13-H3C-13-H2C-13-N
  731026.6697  0.0037 -4.4721 3 1056.7502171  58516 30385 680      84 579        C-13-H3C-13-H2C-13-N
  731033.2605  0.0121 -5.4206 3 1559.3182195  58516 303971780      971681        C-13-H3C-13-H2C-13-N
  731033.2695  0.0121 -5.4206 3 1559.3182195  58516 303971781      971682        C-13-H3C-13-H2C-13-N
  731040.7125  0.0033 -4.5117 3 1081.1346173  58516 30386 581      85 680        C-13-H3C-13-H2C-13-N
  731084.1186  0.0025 -3.5702 3  463.2378 87  58516 303431726      431627        C-13-H3C-13-H2C-13-N
  731084.1186  0.0025 -3.5702 3  463.2378 87  58516 303431727      431628        C-13-H3C-13-H2C-13-N
  731159.2832  0.0070 -5.3737 3  386.3050103  58516 30351 646      51 349        C-13-H3C-13-H2C-13-N
  731167.3271  0.0025 -3.5831 3  475.9439 89  58516 303441727      441628        C-13-H3C-13-H2C-13-N
  731167.3271  0.0025 -3.5831 3  475.9439 89  58516 303441728      441629        C-13-H3C-13-H2C-13-N
  731209.4844  0.0118 -5.3678 3 1531.4740193  58516 303961779      961680        C-13-H3C-13-H2C-13-N
  731209.4911  0.0118 -5.3678 3 1531.4740193  58516 303961780      961681        C-13-H3C-13-H2C-13-N
  731250.2791  0.0025 -3.5971 3  488.9377 91  58516 303451728      451629        C-13-H3C-13-H2C-13-N
  731250.2791  0.0025 -3.5971 3  488.9377 91  58516 303451729      451630        C-13-H3C-13-H2C-13-N
  731332.8362  0.0025 -3.6120 3  502.2195 93  58516 303461729      461630        C-13-H3C-13-H2C-13-N
  731332.8362  0.0025 -3.6120 3  502.2195 93  58516 303461730      461631        C-13-H3C-13-H2C-13-N
  731375.0867  0.0114 -5.3156 3 1503.9125191  58516 303951778      951679        C-13-H3C-13-H2C-13-N
  731375.0916  0.0114 -5.3156 3 1503.9125191  58516 303951779      951680        C-13-H3C-13-H2C-13-N
  731414.8571  0.0026 -3.6280 3  515.7889 95  58516 303471730      471631        C-13-H3C-13-H2C-13-N
  731414.8571  0.0026 -3.6280 3  515.7889 95  58516 303471731      471632        C-13-H3C-13-H2C-13-N
  731452.4842  0.1640 -5.6119 3 2169.3204169  58516 303844044      834043        C-13-H3C-13-H2C-13-N
  731452.4842  0.1640 -5.6119 3 2169.3204169  58516 303844045      834044        C-13-H3C-13-H2C-13-N
  731496.1986  0.0026 -3.6449 3  529.6460 97  58516 303481731      481632        C-13-H3C-13-H2C-13-N
  731496.1986  0.0026 -3.6449 3  529.6460 97  58516 303481732      481633        C-13-H3C-13-H2C-13-N
  731503.0010  0.0051 -5.3531 3  285.5353 87  58516 30343 737      43 440        C-13-H3C-13-H2C-13-N
  731519.6176  0.0036 -3.2125 3 1068.6243169  58516 30384 975      83 974        C-13-H3C-13-H2C-13-N
  731530.3375  0.0110 -5.2641 3 1476.6339189  58516 303941777      941678        C-13-H3C-13-H2C-13-N
  731530.3411  0.0110 -5.2641 3 1476.6339189  58516 303941778      941679        C-13-H3C-13-H2C-13-N
  731576.7145  0.0026 -3.6628 3  543.7908 99  58516 303491732      491633        C-13-H3C-13-H2C-13-N
  731576.7145  0.0026 -3.6628 3  543.7908 99  58516 303491733      491634        C-13-H3C-13-H2C-13-N
  731656.2567  0.0026 -3.6816 3  558.2231101  58516 303501733      501634        C-13-H3C-13-H2C-13-N
  731656.2567  0.0026 -3.6816 3  558.2231101  58516 303501734      501635        C-13-H3C-13-H2C-13-N
  731675.5032  0.0106 -5.2132 3 1449.6384187  58516 303931776      931677        C-13-H3C-13-H2C-13-N
  731675.5058  0.0106 -5.2132 3 1449.6384187  58516 303931777      931678        C-13-H3C-13-H2C-13-N
  731734.6742  0.0026 -3.7012 3  572.9429103  58516 303511734      511635        C-13-H3C-13-H2C-13-N
  731734.6742  0.0026 -3.7012 3  572.9429103  58516 303511735      511636        C-13-H3C-13-H2C-13-N
  731810.8464  0.0102 -5.1631 3 1422.9259185  58516 303921775      921676        C-13-H3C-13-H2C-13-N
  731810.8483  0.0102 -5.1631 3 1422.9259185  58516 303921776      921677        C-13-H3C-13-H2C-13-N
  731811.8141  0.0027 -3.7218 3  587.9501105  58516 303521735      521636        C-13-H3C-13-H2C-13-N
  731811.8141  0.0027 -3.7218 3  587.9501105  58516 303521736      521637        C-13-H3C-13-H2C-13-N
  731882.2379  0.0029 -3.7297 3  457.6101111  58516 30355 749      54 648        C-13-H3C-13-H2C-13-N
  731887.5209  0.0027 -3.7432 3  603.2446107  58516 303531736      531637        C-13-H3C-13-H2C-13-N
  731887.5209  0.0027 -3.7432 3  603.2446107  58516 303531737      531638        C-13-H3C-13-H2C-13-N
  731936.6260  0.0098 -5.1135 3 1396.4968183  58516 303911774      911675        C-13-H3C-13-H2C-13-N
  731936.6274  0.0098 -5.1135 3 1396.4968183  58516 303911775      911676        C-13-H3C-13-H2C-13-N
  731961.6368  0.0027 -3.7655 3  618.8264109  58516 303541737      541638        C-13-H3C-13-H2C-13-N
  731961.6368  0.0027 -3.7655 3  618.8264109  58516 303541738      541639        C-13-H3C-13-H2C-13-N
  731978.7417  0.0309 -5.1441 3  562.3170 67  58516 3033324 9      342312        C-13-H3C-13-H2C-13-N
  731978.7417  0.0309 -5.1441 3  562.3170 67  58516 303332410      342311        C-13-H3C-13-H2C-13-N
  732001.9850  0.0034 -4.5197 3  208.6608 77  58516 30338 534      37 235        C-13-H3C-13-H2C-13-N
  732014.1390  0.0078 -4.5309 3  247.0759 85  58516 30342 339      41 240        C-13-H3C-13-H2C-13-N
  732034.0018  0.0028 -3.7886 3  634.6954111  58516 303551738      551639        C-13-H3C-13-H2C-13-N
  732034.0018  0.0028 -3.7886 3  634.6954111  58516 303551739      551640        C-13-H3C-13-H2C-13-N
  732053.0973  0.0094 -5.0646 3 1370.3511181  58516 303901773      901674        C-13-H3C-13-H2C-13-N
  732053.0983  0.0094 -5.0646 3 1370.3511181  58516 303901774      901675        C-13-H3C-13-H2C-13-N
  732057.0818  0.0036 -5.0652 3  205.6644 75  58516 30337 631      36 432        C-13-H3C-13-H2C-13-N
  732104.4533  0.0028 -3.8125 3  650.8515113  58516 303561739      561640        C-13-H3C-13-H2C-13-N
  732104.4533  0.0028 -3.8125 3  650.8515113  58516 303561740      561641        C-13-H3C-13-H2C-13-N
  732160.5123  0.0089 -5.0164 3 1344.4888179  58516 303891772      891673        C-13-H3C-13-H2C-13-N
  732160.5130  0.0089 -5.0164 3 1344.4888179  58516 303891773      891674        C-13-H3C-13-H2C-13-N
  732172.8269  0.0029 -3.8372 3  667.2946115  58516 303571740      571641        C-13-H3C-13-H2C-13-N
  732172.8269  0.0029 -3.8372 3  667.2946115  58516 303571741      571642        C-13-H3C-13-H2C-13-N
  732238.9556  0.0029 -3.8627 3  684.0247117  58516 303581741      581642        C-13-H3C-13-H2C-13-N
  732238.9556  0.0029 -3.8627 3  684.0247117  58516 303581742      581643        C-13-H3C-13-H2C-13-N
  732259.1196  0.0085 -4.9689 3 1318.9103177  58516 303881771      881672        C-13-H3C-13-H2C-13-N
  732259.1201  0.0085 -4.9689 3 1318.9103177  58516 303881772      881673        C-13-H3C-13-H2C-13-N
  732302.6701  0.0030 -3.8891 3  701.0416119  58516 303591742      591643        C-13-H3C-13-H2C-13-N
  732302.6701  0.0030 -3.8891 3  701.0416119  58516 303591743      591644        C-13-H3C-13-H2C-13-N
  732320.4378  0.0030 -3.2059 3 1069.0427171  58516 30385 779      84 778        C-13-H3C-13-H2C-13-N
  732349.1644  0.0081 -4.9220 3 1293.6155175  58516 303871770      871671        C-13-H3C-13-H2C-13-N
  732349.1648  0.0081 -4.9220 3 1293.6155175  58516 303871771      871672        C-13-H3C-13-H2C-13-N
  732363.7991  0.0030 -3.9162 3  718.3454121  58516 303601743      601644        C-13-H3C-13-H2C-13-N
  732363.7991  0.0030 -3.9162 3  718.3454121  58516 303601744      601645        C-13-H3C-13-H2C-13-N
  732422.1690  0.0031 -3.9440 3  735.9359123  58516 303611744      611645        C-13-H3C-13-H2C-13-N
  732422.1690  0.0031 -3.9440 3  735.9359123  58516 303611745      611646        C-13-H3C-13-H2C-13-N
  732430.8892  0.0077 -4.8758 3 1268.6047173  58516 303861769      861670        C-13-H3C-13-H2C-13-N
  732430.8894  0.0077 -4.8758 3 1268.6047173  58516 303861770      861671        C-13-H3C-13-H2C-13-N
  732476.8343  0.0016 -3.3396 3  284.5295 83  58516 30341 933      40 832        C-13-H3C-13-H2C-13-N
  732477.6038  0.0031 -3.9727 3  753.8130125  58516 303621745      621646        C-13-H3C-13-H2C-13-N
  732477.6038  0.0031 -3.9727 3  753.8130125  58516 303621746      621647        C-13-H3C-13-H2C-13-N
  732479.5949  0.0016 -3.3396 3  284.5294 83  58516 30341 932      40 833        C-13-H3C-13-H2C-13-N
  732504.5330  0.0073 -4.8302 3 1243.8778171  58516 303851768      851669        C-13-H3C-13-H2C-13-N
  732504.5332  0.0073 -4.8302 3 1243.8778171  58516 303851769      851670        C-13-H3C-13-H2C-13-N
  732529.9255  0.0032 -4.0021 3  771.9766127  58516 303631746      631647        C-13-H3C-13-H2C-13-N
  732529.9255  0.0032 -4.0021 3  771.9766127  58516 303631747      631648        C-13-H3C-13-H2C-13-N
  732570.3321  0.0070 -4.7853 3 1219.4351169  58516 303841767      841668        C-13-H3C-13-H2C-13-N
  732570.3322  0.0070 -4.7853 3 1219.4351169  58516 303841768      841669        C-13-H3C-13-H2C-13-N
  732578.9537  0.0033 -4.0322 3  790.4267129  58516 303641747      641648        C-13-H3C-13-H2C-13-N
  732578.9537  0.0033 -4.0322 3  790.4267129  58516 303641748      641649        C-13-H3C-13-H2C-13-N
  732580.7703  0.0056 -4.2667 3 1092.0906179  58516 30389 188      88 287        C-13-H3C-13-H2C-13-N
  732580.7789  0.0056 -3.2311 3 1092.0906179  58516 30389 288      88 287        C-13-H3C-13-H2C-13-N
  732580.7812  0.0056 -3.2311 3 1092.0906179  58516 30389 188      88 187        C-13-H3C-13-H2C-13-N
  732580.7898  0.0056 -4.2667 3 1092.0906179  58516 30389 288      88 187        C-13-H3C-13-H2C-13-N
  732602.2945  0.0022 -3.6429 3  410.6939105  58516 30352 745      51 646        C-13-H3C-13-H2C-13-N
  732624.5060  0.0034 -4.0631 3  809.1632131  58516 303651748      651649        C-13-H3C-13-H2C-13-N
  732624.5060  0.0034 -4.0631 3  809.1632131  58516 303651749      651650        C-13-H3C-13-H2C-13-N
  732628.5197  0.0066 -4.7411 3 1195.2767167  58516 303831766      831667        C-13-H3C-13-H2C-13-N
  732628.5198  0.0066 -4.7411 3 1195.2767167  58516 303831767      831668        C-13-H3C-13-H2C-13-N
  732650.4691  0.0077 -5.2356 3  247.0546 85  58516 30342 339      41 140        C-13-H3C-13-H2C-13-N
  732666.3976  0.0034 -4.0947 3  828.1859133  58516 303661749      661650        C-13-H3C-13-H2C-13-N
  732666.3976  0.0034 -4.0947 3  828.1859133  58516 303661750      661651        C-13-H3C-13-H2C-13-N
  732679.3264  0.0063 -4.6976 3 1171.4027165  58516 303821765      821666        C-13-H3C-13-H2C-13-N
  732679.3265  0.0063 -4.6976 3 1171.4027165  58516 303821766      821667        C-13-H3C-13-H2C-13-N
  732704.4415  0.0035 -4.1271 3  847.4948135  58516 303671750      671651        C-13-H3C-13-H2C-13-N
  732704.4415  0.0035 -4.1271 3  847.4948135  58516 303671751      671652        C-13-H3C-13-H2C-13-N
  732707.5485  0.0031 -3.5838 3 1243.8710171  58516 303851768      841767        C-13-H3C-13-H2C-13-N
  732707.5485  0.0031 -3.5838 3 1243.8710171  58516 303851769      841768        C-13-H3C-13-H2C-13-N
  732708.0033  0.0032 -3.6400 3 1269.7969171  58516 303851867      841866        C-13-H3C-13-H2C-13-N
  732708.0033  0.0032 -3.6400 3 1269.7969171  58516 303851868      841867        C-13-H3C-13-H2C-13-N
  732722.9799  0.0060 -4.6547 3 1147.8132163  58516 303811764      811665        C-13-H3C-13-H2C-13-N
  732722.9800  0.0060 -4.6547 3 1147.8132163  58516 303811765      811666        C-13-H3C-13-H2C-13-N
  732738.4486  0.0036 -4.1602 3  867.0898137  58516 303681751      681652        C-13-H3C-13-H2C-13-N
  732738.4486  0.0036 -4.1602 3  867.0898137  58516 303681752      681653        C-13-H3C-13-H2C-13-N
  732759.7052  0.0057 -4.6125 3 1124.5082161  58516 303801763      801664        C-13-H3C-13-H2C-13-N
  732759.7053  0.0057 -4.6125 3 1124.5082161  58516 303801764      801665        C-13-H3C-13-H2C-13-N
  732763.2349  0.0034 -3.6994 3 1297.1981171  58516 303851966      841965        C-13-H3C-13-H2C-13-N
  732763.2349  0.0034 -3.6994 3 1297.1981171  58516 303851967      841966        C-13-H3C-13-H2C-13-N
  732768.2274  0.0037 -4.1940 3  886.9708139  58516 303691752      691653        C-13-H3C-13-H2C-13-N
  732768.2274  0.0037 -4.1940 3  886.9708139  58516 303691753      691654        C-13-H3C-13-H2C-13-N
  732773.3475  0.0029 -3.5308 3 1219.4351171  58516 303851669      841668        C-13-H3C-13-H2C-13-N
  732773.3475  0.0029 -3.5308 3 1219.4351171  58516 303851670      841669        C-13-H3C-13-H2C-13-N
  732789.7248  0.0054 -4.5710 3 1101.4881159  58516 303791762      791663        C-13-H3C-13-H2C-13-N
  732789.7248  0.0054 -4.5710 3 1101.4881159  58516 303791763      791664        C-13-H3C-13-H2C-13-N
  732793.5842  0.0038 -4.2285 3  907.1377141  58516 303701753      701654        C-13-H3C-13-H2C-13-N
  732793.5842  0.0038 -4.2285 3  907.1377141  58516 303701754      701655        C-13-H3C-13-H2C-13-N
  732813.2583  0.0052 -4.5302 3 1078.7527157  58516 303781761      781662        C-13-H3C-13-H2C-13-N
  732813.2583  0.0052 -4.5302 3 1078.7527157  58516 303781762      781663        C-13-H3C-13-H2C-13-N
  732814.3233  0.0039 -4.2638 3  927.5903143  58516 303711754      711655        C-13-H3C-13-H2C-13-N
  732814.3233  0.0039 -4.2638 3  927.5903143  58516 303711755      711656        C-13-H3C-13-H2C-13-N
  732830.2463  0.0041 -4.2997 3  948.3287145  58516 303721755      721656        C-13-H3C-13-H2C-13-N
  732830.2463  0.0041 -4.2997 3  948.3287145  58516 303721756      721657        C-13-H3C-13-H2C-13-N
  732830.5231  0.0049 -4.4900 3 1056.3024155  58516 303771760      771661        C-13-H3C-13-H2C-13-N
  732830.5231  0.0049 -4.4900 3 1056.3024155  58516 303771761      771662        C-13-H3C-13-H2C-13-N
  732841.1528  0.0042 -4.3364 3  969.3527147  58516 303731756      731657        C-13-H3C-13-H2C-13-N
  732841.1528  0.0042 -4.3364 3  969.3527147  58516 303731757      731658        C-13-H3C-13-H2C-13-N
  732841.7338  0.0047 -4.4506 3 1034.1371153  58516 303761759      761660        C-13-H3C-13-H2C-13-N
  732841.7338  0.0047 -4.4506 3 1034.1371153  58516 303761760      761661        C-13-H3C-13-H2C-13-N
  732846.8400  0.0044 -4.3738 3  990.6621149  58516 303741757      741658        C-13-H3C-13-H2C-13-N
  732846.8400  0.0044 -4.3738 3  990.6621149  58516 303741758      741659        C-13-H3C-13-H2C-13-N
  732847.1029  0.0045 -4.4118 3 1012.2570151  58516 303751758      751659        C-13-H3C-13-H2C-13-N
  732847.1029  0.0045 -4.4118 3 1012.2570151  58516 303751759      751660        C-13-H3C-13-H2C-13-N
  732864.7737  0.0037 -3.7618 3 1326.0616171  58516 303852065      842064        C-13-H3C-13-H2C-13-N
  732864.7737  0.0037 -3.7618 3 1326.0616171  58516 303852066      842065        C-13-H3C-13-H2C-13-N
  732921.3906  0.0028 -3.4809 3 1196.5064171  58516 303851571      841570        C-13-H3C-13-H2C-13-N
  732921.3919  0.0028 -3.4809 3 1196.5064171  58516 303851570      841569        C-13-H3C-13-H2C-13-N
  733006.2230  0.0040 -3.8274 3 1356.3754171  58516 303852164      842163        C-13-H3C-13-H2C-13-N
  733006.2230  0.0040 -3.8274 3 1356.3754171  58516 303852165      842164        C-13-H3C-13-H2C-13-N
  733130.0474  0.0176 -5.3268 3  483.1077 57  58516 3032823 5      2922 8        C-13-H3C-13-H2C-13-N
  733130.0474  0.0176 -5.3268 3  483.1077 57  58516 3032823 6      2922 7        C-13-H3C-13-H2C-13-N
  733174.7324  0.0026 -3.4343 3 1175.1061171  58516 303851472      841471        C-13-H3C-13-H2C-13-N
  733174.7589  0.0026 -3.4343 3 1175.1061171  58516 303851471      841470        C-13-H3C-13-H2C-13-N
  733182.6554  0.0044 -3.8961 3 1388.1283171  58516 303852263      842262        C-13-H3C-13-H2C-13-N
  733182.6554  0.0044 -3.8961 3 1388.1283171  58516 303852264      842263        C-13-H3C-13-H2C-13-N
  733227.4763  0.0053 -5.3354 3  298.2154 89  58516 30344 738      44 441        C-13-H3C-13-H2C-13-N
  733245.1626  0.2558 -5.5368 3 1071.0264115  58516 303572928      582831        C-13-H3C-13-H2C-13-N
  733245.1626  0.2558 -5.5368 3 1071.0264115  58516 303572929      582830        C-13-H3C-13-H2C-13-N
  733390.2077  0.0047 -3.9679 3 1421.3094171  58516 303852362      842361        C-13-H3C-13-H2C-13-N
  733390.2077  0.0047 -3.9679 3 1421.3094171  58516 303852363      842362        C-13-H3C-13-H2C-13-N
  733568.0025  0.0025 -3.3908 3 1155.2618171  58516 303851373      841372        C-13-H3C-13-H2C-13-N
  733568.4520  0.0025 -3.3908 3 1155.2619171  58516 303851372      841371        C-13-H3C-13-H2C-13-N
  733625.8037  0.0051 -4.0428 3 1455.9082171  58516 303852461      842460        C-13-H3C-13-H2C-13-N
  733625.8037  0.0051 -4.0428 3 1455.9082171  58516 303852462      842461        C-13-H3C-13-H2C-13-N
  733877.4117  0.0035 -5.5565 3   91.7191 47  58516 30323 716      22 517        C-13-H3C-13-H2C-13-N
  733886.9583  0.0055 -4.1207 3 1491.9143171  58516 303852560      842559        C-13-H3C-13-H2C-13-N
  733886.9583  0.0055 -4.1207 3 1491.9143171  58516 303852561      842560        C-13-H3C-13-H2C-13-N
  733913.7950  0.0035 -5.5565 3   91.7179 47  58516 30323 717      22 518        C-13-H3C-13-H2C-13-N
  734154.6718  0.0025 -3.3506 3 1137.0119171  58516 303851274      841273        C-13-H3C-13-H2C-13-N
  734160.9926  0.0025 -3.3506 3 1137.0126171  58516 303851273      841272        C-13-H3C-13-H2C-13-N
  734171.6369  0.0061 -4.2016 3 1529.3174171  58516 303852659      842658        C-13-H3C-13-H2C-13-N
  734171.6369  0.0061 -4.2016 3 1529.3174171  58516 303852660      842659        C-13-H3C-13-H2C-13-N
  734276.9163  0.0088 -4.2335 3 1098.0588181  58516 30390 090      89 189        C-13-H3C-13-H2C-13-N
  734276.9164  0.0088 -3.2361 3 1098.0588181  58516 30390 090      89 089        C-13-H3C-13-H2C-13-N
  734276.9164  0.0088 -4.2335 3 1098.0588181  58516 30390 190      89 089        C-13-H3C-13-H2C-13-N
  734276.9164  0.0088 -3.2361 3 1098.0588181  58516 30390 190      89 189        C-13-H3C-13-H2C-13-N
  734373.2821  0.0031 -3.2232 3 1081.1346173  58516 30386 681      85 680        C-13-H3C-13-H2C-13-N
  734478.1526  0.0069 -4.2856 3 1568.1071171  58516 303852758      842757        C-13-H3C-13-H2C-13-N
  734478.1526  0.0069 -4.2856 3 1568.1071171  58516 303852759      842758        C-13-H3C-13-H2C-13-N
  734516.4395  0.0244 -5.0838 3 1258.2125185  58516 30392 785      91 884        C-13-H3C-13-H2C-13-N
  734703.1471  0.0052 -5.5621 3  103.3862 55  58516 30327 522      26 225        C-13-H3C-13-H2C-13-N
  734723.6317  0.0016 -3.2517 3  242.2335 73  58516 303361027      35 926        C-13-H3C-13-H2C-13-N
  734723.6398  0.0016 -3.2517 3  242.2335 73  58516 303361026      35 927        C-13-H3C-13-H2C-13-N
  734805.0902  0.0081 -4.3726 3 1608.2732171  58516 303852857      842856        C-13-H3C-13-H2C-13-N
  734805.0902  0.0081 -4.3726 3 1608.2732171  58516 303852858      842857        C-13-H3C-13-H2C-13-N
  734850.4526  0.1795 -5.3702 3  950.0363105  58516 303522824      532727        C-13-H3C-13-H2C-13-N
  734850.4526  0.1795 -5.3702 3  950.0363105  58516 303522825      532726        C-13-H3C-13-H2C-13-N
  734988.2763  0.0031 -3.2222 3 1081.0030173  58516 30386 581      85 580        C-13-H3C-13-H2C-13-N
  735007.2299  0.0025 -3.3136 3 1120.4115171  58516 303851175      841174        C-13-H3C-13-H2C-13-N
  735078.6085  0.0025 -3.3135 3 1120.4206171  58516 303851174      841173        C-13-H3C-13-H2C-13-N
  735151.2486  0.0100 -4.4625 3 1649.8050171  58516 303852956      842955        C-13-H3C-13-H2C-13-N
  735151.2486  0.0100 -4.4625 3 1649.8050171  58516 303852957      842956        C-13-H3C-13-H2C-13-N
  735314.2648  0.0054 -5.3202 3  311.1748 91  58516 30345 739      45 442        C-13-H3C-13-H2C-13-N
  735430.9511  0.0029 -5.1289 3  174.2663 69  58516 30334 629      33 430        C-13-H3C-13-H2C-13-N
  735515.5972  0.0129 -4.5555 3 1692.6923171  58516 303853055      843054        C-13-H3C-13-H2C-13-N
  735515.5972  0.0129 -4.5555 3 1692.6923171  58516 303853056      843055        C-13-H3C-13-H2C-13-N
  735542.1734  0.0033 -4.4352 3 1091.8837175  58516 30387 483      86 582        C-13-H3C-13-H2C-13-N
  735783.8609  0.0034 -3.2385 3 1091.8837175  58516 30387 583      86 582        C-13-H3C-13-H2C-13-N
  735835.1535  0.0034 -3.2385 3 1091.8739175  58516 30387 483      86 482        C-13-H3C-13-H2C-13-N
  735894.5678  0.0036 -5.0445 3  216.5482 77  58516 30338 632      37 433        C-13-H3C-13-H2C-13-N
  735897.2426  0.0169 -4.6514 3 1736.9242171  58516 303853154      843153        C-13-H3C-13-H2C-13-N
  735897.2426  0.0169 -4.6514 3 1736.9242171  58516 303853155      843154        C-13-H3C-13-H2C-13-N
  736003.6186  0.0031 -3.7573 3  473.7076113  58516 30356 750      55 649        C-13-H3C-13-H2C-13-N
  736017.7779  0.0018 -3.4722 3  349.0357 95  58516 30347 840      46 739        C-13-H3C-13-H2C-13-N
  736029.0406  0.0017 -3.1865 3  208.6984 63  58516 303311120      301021        C-13-H3C-13-H2C-13-N
  736029.0406  0.0017 -3.1865 3  208.6984 63  58516 303311121      301020        C-13-H3C-13-H2C-13-N
  736076.8410  0.0034 -4.4345 3 1091.8739175  58516 30387 583      86 482        C-13-H3C-13-H2C-13-N
  736120.4952  0.0032 -3.2259 3 1080.5094171  58516 30385 878      84 877        C-13-H3C-13-H2C-13-N
  736124.3025  0.0027 -3.2800 3 1105.5283171  58516 303851076      841075        C-13-H3C-13-H2C-13-N
  736295.4021  0.0224 -4.7502 3 1782.4902171  58516 303853253      843252        C-13-H3C-13-H2C-13-N
  736295.4021  0.0224 -4.7502 3 1782.4902171  58516 303853254      843253        C-13-H3C-13-H2C-13-N
  736370.3356  0.0032 -3.1987 3 1067.9491171  58516 30385 679      84 678        C-13-H3C-13-H2C-13-N
  736389.1907  0.1226 -5.2395 3  837.6777 95  58516 303472720      482623        C-13-H3C-13-H2C-13-N
  736389.1907  0.1226 -5.2395 3  837.6777 95  58516 303472721      482622        C-13-H3C-13-H2C-13-N
  736444.5338  0.0018 -3.4718 3  349.0225 95  58516 30347 839      46 740        C-13-H3C-13-H2C-13-N
  736601.8477  0.0329 -5.5326 3  962.3712161  58516 30380 872      80 575        C-13-H3C-13-H2C-13-N
  736709.3835  0.0297 -4.8520 3 1829.3793171  58516 303853352      843351        C-13-H3C-13-H2C-13-N
  736709.3835  0.0297 -4.8520 3 1829.3793171  58516 303853353      843352        C-13-H3C-13-H2C-13-N
  736739.8132  0.0028 -3.2795 3 1105.6199171  58516 303851075      841074        C-13-H3C-13-H2C-13-N
  736843.5217  0.0019 -3.1396 3  183.8707 53  58516 303261214      251115        C-13-H3C-13-H2C-13-N
  736843.5217  0.0019 -3.1396 3  183.8707 53  58516 303261215      251114        C-13-H3C-13-H2C-13-N
  736990.5981  0.0030 -3.2505 3 1092.3535171  58516 30385 977      84 976        C-13-H3C-13-H2C-13-N
  737138.5688  0.0390 -4.9566 3 1877.5807171  58516 303853451      843450        C-13-H3C-13-H2C-13-N
  737138.5688  0.0390 -4.9566 3 1877.5807171  58516 303853452      843451        C-13-H3C-13-H2C-13-N
  737277.6532  0.0037 -4.3821 3 1101.2821177  58516 30388 385      87 484        C-13-H3C-13-H2C-13-N
  737289.3068  0.0037 -3.2509 3 1101.2821177  58516 30388 485      87 484        C-13-H3C-13-H2C-13-N
  737292.0317  0.0038 -3.2509 3 1101.2816177  58516 30388 385      87 384        C-13-H3C-13-H2C-13-N
  737303.6853  0.0038 -4.3820 3 1101.2816177  58516 30388 485      87 384        C-13-H3C-13-H2C-13-N
  737353.9836  0.0022 -3.1066 3  167.7263 43  58516 3032113 8      2012 9        C-13-H3C-13-H2C-13-N
  737353.9836  0.0022 -3.1066 3  167.7263 43  58516 3032113 9      2012 8        C-13-H3C-13-H2C-13-N
  737386.8384  0.0114 -5.6445 3  348.7598 99  58516 30349 545      49 248        C-13-H3C-13-H2C-13-N
  737438.7583  0.0043 -3.1841 3 1058.9191169  58516 30384 876      83 875        C-13-H3C-13-H2C-13-N
  737525.8430  0.0035 -3.1683 3 1051.7035169  58516 30384 777      83 776        C-13-H3C-13-H2C-13-N
  737582.4016  0.0509 -5.0642 3 1927.0833171  58516 303853550      843549        C-13-H3C-13-H2C-13-N
  737582.4016  0.0509 -5.0642 3 1927.0833171  58516 303853551      843550        C-13-H3C-13-H2C-13-N
  737642.0308  0.0025 -3.0803 3  160.2544 33  58516 3031614 2      1513 3        C-13-H3C-13-H2C-13-N
  737642.0308  0.0025 -3.0803 3  160.2544 33  58516 3031614 3      1513 2        C-13-H3C-13-H2C-13-N
  737648.4364  0.0085 -4.7309 3 1143.1374177  58516 30388 682      87 781        C-13-H3C-13-H2C-13-N
  737789.4475  0.0055 -5.3077 3  324.4125 93  58516 30346 740      46 443        C-13-H3C-13-H2C-13-N
  737852.0615  0.0810 -5.1528 3  733.9589 85  58516 303422616      432519        C-13-H3C-13-H2C-13-N
  737852.0615  0.0810 -5.1528 3  733.9589 85  58516 303422617      432518        C-13-H3C-13-H2C-13-N
  738040.3767  0.0660 -5.1746 3 1977.8758171  58516 303853649      843648        C-13-H3C-13-H2C-13-N
  738040.3767  0.0660 -5.1746 3 1977.8758171  58516 303853650      843649        C-13-H3C-13-H2C-13-N
  738274.6507  0.0067 -5.2668 3  484.3920113  58516 30356 848      56 551        C-13-H3C-13-H2C-13-N
  738320.8459  0.0037 -4.5028 3 1081.0030173  58516 30386 681      85 580        C-13-H3C-13-H2C-13-N
  738512.0320  0.0848 -5.2879 3 2029.9471171  58516 303853748      843747        C-13-H3C-13-H2C-13-N
  738512.0320  0.0848 -5.2879 3 2029.9471171  58516 303853749      843748        C-13-H3C-13-H2C-13-N
  738915.8485  0.0045 -4.3394 3 1109.4614179  58516 30389 287      88 386        C-13-H3C-13-H2C-13-N
  738916.2141  0.0045 -3.2606 3 1109.4614179  58516 30389 387      88 386        C-13-H3C-13-H2C-13-N
  738916.3063  0.0045 -3.2606 3 1109.4614179  58516 30389 287      88 286        C-13-H3C-13-H2C-13-N
  738916.6719  0.0045 -4.3394 3 1109.4614179  58516 30389 387      88 286        C-13-H3C-13-H2C-13-N
  738996.9416  0.1082 -5.4041 3 2083.2858171  58516 303853847      843846        C-13-H3C-13-H2C-13-N
  738996.9416  0.1082 -5.4041 3 2083.2858171  58516 303853848      843847        C-13-H3C-13-H2C-13-N
  739229.7073  0.0514 -5.1250 3  638.8871 75  58516 303372512      382415        C-13-H3C-13-H2C-13-N
  739229.7073  0.0514 -5.1250 3  638.8871 75  58516 303372513      382414        C-13-H3C-13-H2C-13-N
  739407.1596  0.0036 -5.0242 3  227.7360 79  58516 30339 633      38 434        C-13-H3C-13-H2C-13-N
  739417.6788  0.0125 -5.6338 3  195.4415 77  58516 30338 336      37 137        C-13-H3C-13-H2C-13-N
  739463.2379  0.0125 -4.9250 3  195.4400 77  58516 30338 336      37 037        C-13-H3C-13-H2C-13-N
  739494.7108  0.1371 -5.5231 3 2137.8803171  58516 303853946      843945        C-13-H3C-13-H2C-13-N
  739494.7108  0.1371 -5.5231 3 2137.8803171  58516 303853947      843946        C-13-H3C-13-H2C-13-N
  739572.0848  0.0032 -4.5418 3 1105.6307175  58516 30387 582      86 681        C-13-H3C-13-H2C-13-N
  739653.1863  0.0033 -3.7858 3  490.1118115  58516 30357 751      56 650        C-13-H3C-13-H2C-13-N
  739851.6638  0.0043 -3.8573 3  432.9313109  58516 30354 648      53 549        C-13-H3C-13-H2C-13-N
  739897.7436  0.3562 -5.7061 3 1182.3952123  58516 303613031      622934        C-13-H3C-13-H2C-13-N
  739897.7436  0.3562 -5.7061 3 1182.3952123  58516 303613032      622933        C-13-H3C-13-H2C-13-N
  739983.7115  0.0051 -4.7772 3  365.1111101  58516 30350 545      49 346        C-13-H3C-13-H2C-13-N
  739985.8244  0.0060 -4.0609 3  380.1326103  58516 30351 546      50 447        C-13-H3C-13-H2C-13-N
  740004.9716  0.1728 -5.6448 3 2193.7190171  58516 303854045      844044        C-13-H3C-13-H2C-13-N
  740004.9716  0.1728 -5.6448 3 2193.7190171  58516 303854046      844045        C-13-H3C-13-H2C-13-N
  740440.7130  0.0031 -3.2423 3 1093.4703173  58516 30386 780      85 779        C-13-H3C-13-H2C-13-N
  740512.8282  0.0310 -5.1880 3  552.4686 65  58516 3033224 8      332311        C-13-H3C-13-H2C-13-N
  740512.8282  0.0310 -5.1880 3  552.4686 65  58516 3033224 9      332310        C-13-H3C-13-H2C-13-N
  740570.3634  0.0039 -3.2477 3 1093.0251171  58516 30385 976      84 975        C-13-H3C-13-H2C-13-N
  740599.9515  0.0057 -4.3030 3 1116.5269181  58516 30390 189      89 288        C-13-H3C-13-H2C-13-N
  740599.9583  0.0057 -3.2680 3 1116.5269181  58516 30390 289      89 288        C-13-H3C-13-H2C-13-N
  740599.9602  0.0057 -3.2680 3 1116.5269181  58516 30390 189      89 188        C-13-H3C-13-H2C-13-N
  740599.9670  0.0057 -4.3030 3 1116.5269181  58516 30390 289      89 188        C-13-H3C-13-H2C-13-N
  740678.1617  0.0056 -5.2977 3  337.9279 95  58516 30347 741      47 444        C-13-H3C-13-H2C-13-N
  740923.7471  0.0017 -3.3496 3  296.3816 85  58516 30342 934      41 833        C-13-H3C-13-H2C-13-N
  740927.8153  0.0017 -3.3496 3  296.3815 85  58516 30342 933      41 834        C-13-H3C-13-H2C-13-N
  741212.9249  0.0033 -3.6756 3 1294.2375173  58516 303861868      851867        C-13-H3C-13-H2C-13-N
  741212.9249  0.0033 -3.6756 3 1294.2375173  58516 303861869      851868        C-13-H3C-13-H2C-13-N
  741218.2946  0.0031 -3.6195 3 1268.3115173  58516 303861769      851768        C-13-H3C-13-H2C-13-N
  741218.2946  0.0031 -3.6195 3 1268.3115173  58516 303861770      851769        C-13-H3C-13-H2C-13-N
  741263.9127  0.0035 -3.7349 3 1321.6405173  58516 303861967      851966        C-13-H3C-13-H2C-13-N
  741263.9127  0.0035 -3.7349 3 1321.6405173  58516 303861968      851967        C-13-H3C-13-H2C-13-N
  741291.9384  0.0030 -3.5665 3 1243.8778173  58516 303861670      851669        C-13-H3C-13-H2C-13-N
  741291.9384  0.0030 -3.5665 3 1243.8778173  58516 303861671      851670        C-13-H3C-13-H2C-13-N
  741362.4757  0.0038 -3.7974 3 1350.5074173  58516 303862066      852065        C-13-H3C-13-H2C-13-N
  741362.4757  0.0038 -3.7974 3 1350.5074173  58516 303862067      852066        C-13-H3C-13-H2C-13-N
  741450.4889  0.0028 -3.5167 3 1220.9540173  58516 303861572      851571        C-13-H3C-13-H2C-13-N
  741450.4907  0.0028 -3.5167 3 1220.9540173  58516 303861571      851570        C-13-H3C-13-H2C-13-N
  741484.0786  0.0023 -3.6651 3  425.7764107  58516 30353 746      52 647        C-13-H3C-13-H2C-13-N
  741501.9886  0.0041 -3.8629 3 1380.8259173  58516 303862165      852164        C-13-H3C-13-H2C-13-N
  741501.9886  0.0041 -3.8629 3 1380.8259173  58516 303862166      852165        C-13-H3C-13-H2C-13-N
  741604.5072  0.2558 -5.5146 3 1054.2277113  58516 303562927      572830        C-13-H3C-13-H2C-13-N
  741604.5072  0.2558 -5.5146 3 1054.2277113  58516 303562928      572829        C-13-H3C-13-H2C-13-N
  741648.3591  0.0038 -5.0374 3  231.2484 81  58516 30340 536      39 337        C-13-H3C-13-H2C-13-N
  741677.3515  0.0044 -3.9315 3 1412.5846173  58516 303862264      852263        C-13-H3C-13-H2C-13-N
  741677.3515  0.0044 -3.9315 3 1412.5846173  58516 303862265      852264        C-13-H3C-13-H2C-13-N
  741692.2894  0.0177 -5.4303 3  474.7084 55  58516 3032723 4      2822 7        C-13-H3C-13-H2C-13-N
  741692.2894  0.0177 -5.4303 3  474.7084 55  58516 3032723 5      2822 6        C-13-H3C-13-H2C-13-N
  741717.9856  0.0027 -3.4701 3 1199.5622173  58516 303861473      851472        C-13-H3C-13-H2C-13-N
  741718.0210  0.0027 -3.4701 3 1199.5622173  58516 303861472      851471        C-13-H3C-13-H2C-13-N
  741884.5692  0.0048 -4.0033 3 1445.7726173  58516 303862363      852362        C-13-H3C-13-H2C-13-N
  741884.5692  0.0048 -4.0033 3 1445.7726173  58516 303862364      852363        C-13-H3C-13-H2C-13-N
  742120.4623  0.0052 -4.0781 3 1480.3793173  58516 303862462      852461        C-13-H3C-13-H2C-13-N
  742120.4623  0.0052 -4.0781 3 1480.3793173  58516 303862463      852462        C-13-H3C-13-H2C-13-N
  742130.6310  0.0026 -3.4267 3 1179.7310173  58516 303861374      851373        C-13-H3C-13-H2C-13-N
  742131.2185  0.0026 -3.4267 3 1179.7311173  58516 303861373      851372        C-13-H3C-13-H2C-13-N
  742274.7906  0.0034 -5.5106 3   98.3715 49  58516 30324 717      23 518        C-13-H3C-13-H2C-13-N
  742297.6539  0.0089 -3.2731 3 1122.5517183  58516 30391 091      90 090        C-13-H3C-13-H2C-13-N
  742297.6539  0.0089 -4.2704 3 1122.5517183  58516 30391 091      90 190        C-13-H3C-13-H2C-13-N
  742297.6539  0.0089 -3.2731 3 1122.5517183  58516 30391 191      90 190        C-13-H3C-13-H2C-13-N
  742297.6540  0.0089 -4.2704 3 1122.5517183  58516 30391 191      90 090        C-13-H3C-13-H2C-13-N
  742331.0511  0.0034 -5.5106 3   98.3696 49  58516 30324 718      23 519        C-13-H3C-13-H2C-13-N
  742381.3886  0.0031 -3.2600 3 1105.6307175  58516 30387 682      86 681        C-13-H3C-13-H2C-13-N
  742382.4636  0.0057 -4.1559 3 1516.3941173  58516 303862561      852560        C-13-H3C-13-H2C-13-N
  742382.4636  0.0057 -4.1559 3 1516.3941173  58516 303862562      852561        C-13-H3C-13-H2C-13-N
  742637.6717  0.0036 -5.0042 3  239.2268 81  58516 30340 634      39 435        C-13-H3C-13-H2C-13-N
  742668.4726  0.0063 -4.2368 3 1553.8067173  58516 303862660      852659        C-13-H3C-13-H2C-13-N
  742668.4726  0.0063 -4.2368 3 1553.8067173  58516 303862661      852660        C-13-H3C-13-H2C-13-N
  742744.1959  0.0025 -3.3865 3 1161.5006173  58516 303861275      851274        C-13-H3C-13-H2C-13-N
  742752.2453  0.0025 -3.3865 3 1161.5016173  58516 303861274      851273        C-13-H3C-13-H2C-13-N
  742820.9305  0.0036 -3.8153 3  506.8229117  58516 30358 752      57 651        C-13-H3C-13-H2C-13-N
  742837.2789  0.0034 -4.4875 3  219.6090 79  58516 30339 535      38 236        C-13-H3C-13-H2C-13-N
  742904.6544  0.0032 -3.2592 3 1105.5195175  58516 30387 582      86 581        C-13-H3C-13-H2C-13-N
  742935.6831  0.0074 -5.3925 3  400.9948105  58516 30352 647      52 350        C-13-H3C-13-H2C-13-N
  742976.7486  0.0072 -4.3207 3 1592.6067173  58516 303862759      852758        C-13-H3C-13-H2C-13-N
  742976.7486  0.0072 -4.3207 3 1592.6067173  58516 303862760      852759        C-13-H3C-13-H2C-13-N
  743251.2516  0.1796 -5.3551 3  934.6837103  58516 303512823      522726        C-13-H3C-13-H2C-13-N
  743251.2516  0.1796 -5.3551 3  934.6837103  58516 303512824      522725        C-13-H3C-13-H2C-13-N
  743305.8320  0.0086 -4.4076 3 1632.7836173  58516 303862858      852857        C-13-H3C-13-H2C-13-N
  743305.8320  0.0086 -4.4076 3 1632.7836173  58516 303862859      852858        C-13-H3C-13-H2C-13-N
  743307.4184  0.0016 -3.2579 3  252.6320 75  58516 303371028      36 927        C-13-H3C-13-H2C-13-N
  743307.4319  0.0016 -3.2579 3  252.6320 75  58516 303371027      36 928        C-13-H3C-13-H2C-13-N
  743584.4709  0.0034 -4.4687 3 1116.4268177  58516 30388 484      87 583        C-13-H3C-13-H2C-13-N
  743631.4331  0.0025 -3.3496 3 1144.9287173  58516 303861176      851175        C-13-H3C-13-H2C-13-N
  743654.4845  0.0108 -4.4975 3 1674.3270173  58516 303862957      852956        C-13-H3C-13-H2C-13-N
  743654.4845  0.0108 -4.4975 3 1674.3270173  58516 303862958      852957        C-13-H3C-13-H2C-13-N
  743719.8181  0.0025 -3.3495 3 1144.9402173  58516 303861175      851174        C-13-H3C-13-H2C-13-N
  743727.9155  0.0060 -5.2243 3  224.3700 81  58516 30340 437      39 238        C-13-H3C-13-H2C-13-N
  743783.7046  0.0034 -3.2755 3 1116.4268177  58516 30388 584      87 583        C-13-H3C-13-H2C-13-N
  743826.1584  0.0034 -3.2755 3 1116.4187177  58516 30388 484      87 483        C-13-H3C-13-H2C-13-N
  744004.3846  0.0057 -5.2902 3  351.7201 97  58516 30348 742      48 445        C-13-H3C-13-H2C-13-N
  744021.6445  0.0140 -4.5904 3 1717.2264173  58516 303863056      853055        C-13-H3C-13-H2C-13-N
  744021.6445  0.0140 -4.5904 3 1717.2264173  58516 303863057      853056        C-13-H3C-13-H2C-13-N
  744025.3922  0.0035 -4.4682 3 1116.4187177  58516 30388 584      87 483        C-13-H3C-13-H2C-13-N
  744038.6532  0.0018 -3.4877 3  362.6517 97  58516 30348 841      47 740        C-13-H3C-13-H2C-13-N
  744070.2722  0.0030 -5.1065 3  184.1107 71  58516 30335 630      34 431        C-13-H3C-13-H2C-13-N
  744074.8613  0.0032 -3.2360 3 1092.5118173  58516 30386 680      85 679        C-13-H3C-13-H2C-13-N
  744406.3920  0.0184 -4.6862 3 1761.4711173  58516 303863155      853154        C-13-H3C-13-H2C-13-N
  744406.3920  0.0184 -4.6862 3 1761.4711173  58516 303863156      853155        C-13-H3C-13-H2C-13-N
  744477.5879  0.0032 -3.2624 3 1105.0637173  58516 30386 879      85 878        C-13-H3C-13-H2C-13-N
  744607.0667  0.0018 -3.4872 3  362.6342 97  58516 30348 840      47 741        C-13-H3C-13-H2C-13-N
  744677.4760  0.0017 -3.1893 3  217.6501 65  58516 303321121      311022        C-13-H3C-13-H2C-13-N
  744677.4760  0.0017 -3.1893 3  217.6501 65  58516 303321122      311021        C-13-H3C-13-H2C-13-N
  744703.2621  0.0059 -4.5316 3  224.3375 81  58516 30340 437      39 138        C-13-H3C-13-H2C-13-N
  744770.2143  0.0027 -3.3161 3 1130.0827173  58516 303861077      851076        C-13-H3C-13-H2C-13-N
  744807.9213  0.0244 -4.7849 3 1807.0504173  58516 303863254      853253        C-13-H3C-13-H2C-13-N
  744807.9213  0.0244 -4.7849 3 1807.0504173  58516 303863255      853254        C-13-H3C-13-H2C-13-N
  744828.7475  0.1227 -5.2331 3  823.7723 93  58516 303462719      472622        C-13-H3C-13-H2C-13-N
  744828.7475  0.1227 -5.2331 3  823.7723 93  58516 303462720      472621        C-13-H3C-13-H2C-13-N
  745225.5206  0.0322 -4.8866 3 1853.9533173  58516 303863353      853352        C-13-H3C-13-H2C-13-N
  745225.5206  0.0322 -4.8866 3 1853.9533173  58516 303863354      853353        C-13-H3C-13-H2C-13-N
  745287.8642  0.0038 -4.4172 3 1125.8754179  58516 30389 386      88 485        C-13-H3C-13-H2C-13-N
  745297.3063  0.0038 -3.2881 3 1125.8754179  58516 30389 486      88 485        C-13-H3C-13-H2C-13-N
  745299.5177  0.0038 -3.2881 3 1125.8751179  58516 30389 386      88 385        C-13-H3C-13-H2C-13-N
  745308.9599  0.0038 -4.4171 3 1125.8751179  58516 30389 486      88 385        C-13-H3C-13-H2C-13-N
  745410.0402  0.0233 -5.4990 3  818.1332149  58516 30374 767      74 470        C-13-H3C-13-H2C-13-N
  745504.9806  0.0039 -3.8456 3  523.8405119  58516 30359 753      58 652        C-13-H3C-13-H2C-13-N
  745507.5861  0.0029 -3.3155 3 1130.1948173  58516 303861076      851075        C-13-H3C-13-H2C-13-N
  745522.6064  0.0019 -3.1396 3  191.3788 55  58516 303271215      261116        C-13-H3C-13-H2C-13-N
  745522.6064  0.0019 -3.1396 3  191.3788 55  58516 303271216      261115        C-13-H3C-13-H2C-13-N
  745566.6066  0.0031 -3.2867 3 1116.9368173  58516 30386 978      85 977        C-13-H3C-13-H2C-13-N
  745639.0947  0.0036 -4.9843 3  251.0193 83  58516 30341 635      40 436        C-13-H3C-13-H2C-13-N
  745658.5545  0.0421 -4.9912 3 1902.1690173  58516 303863452      853451        C-13-H3C-13-H2C-13-N
  745658.5545  0.0421 -4.9912 3 1902.1690173  58516 303863453      853452        C-13-H3C-13-H2C-13-N
  745688.1722  0.0035 -3.2051 3 1076.3047171  58516 30385 778      84 777        C-13-H3C-13-H2C-13-N
  745713.9582  0.0037 -4.5344 3 1105.5195175  58516 30387 682      86 581        C-13-H3C-13-H2C-13-N
  745996.9068  0.0501 -5.5624 3 1462.2982199  58516 30399 891      98 990        C-13-H3C-13-H2C-13-N
  746046.1170  0.0021 -3.1045 3  173.7916 45  58516 3032213 9      211210        C-13-H3C-13-H2C-13-N
  746046.1170  0.0021 -3.1045 3  173.7916 45  58516 303221310      2112 9        C-13-H3C-13-H2C-13-N
  746106.4514  0.0548 -5.0986 3 1951.6864173  58516 303863551      853550        C-13-H3C-13-H2C-13-N
  746106.4514  0.0548 -5.0986 3 1951.6864173  58516 303863552      853551        C-13-H3C-13-H2C-13-N
  746327.6462  0.0811 -5.1581 3  721.5016 83  58516 303412615      422518        C-13-H3C-13-H2C-13-N
  746327.6462  0.0811 -5.1581 3  721.5016 83  58516 303412616      422517        C-13-H3C-13-H2C-13-N
  746337.4065  0.0025 -3.0778 3  164.8769 35  58516 3031714 3      1613 4        C-13-H3C-13-H2C-13-N
  746337.4065  0.0025 -3.0778 3  164.8769 35  58516 3031714 4      1613 3        C-13-H3C-13-H2C-13-N
  746441.5060  0.0044 -3.2199 3 1083.5174171  58516 30385 877      84 876        C-13-H3C-13-H2C-13-N
  746568.6925  0.0707 -5.2090 3 2002.4942173  58516 303863650      853649        C-13-H3C-13-H2C-13-N
  746568.6925  0.0707 -5.2090 3 2002.4942173  58516 303863651      853650        C-13-H3C-13-H2C-13-N
  746929.1145  0.0046 -4.3756 3 1134.1090181  58516 30390 288      89 387        C-13-H3C-13-H2C-13-N
  746929.4064  0.0046 -3.2980 3 1134.1090181  58516 30390 388      89 387        C-13-H3C-13-H2C-13-N
  746929.4800  0.0046 -3.2980 3 1134.1090181  58516 30390 288      89 287        C-13-H3C-13-H2C-13-N
  746929.7720  0.0046 -4.3756 3 1134.1090181  58516 30390 388      89 287        C-13-H3C-13-H2C-13-N
  746990.7546  0.0066 -5.2833 3  467.8881111  58516 30355 847      55 550        C-13-H3C-13-H2C-13-N
  747044.8034  0.0904 -5.3221 3 2054.5812173  58516 303863749      853748        C-13-H3C-13-H2C-13-N
  747044.8034  0.0904 -5.3221 3 2054.5812173  58516 303863750      853749        C-13-H3C-13-H2C-13-N
  747109.7454  0.0239 -5.5299 3  995.8037163  58516 30381 972      81 675        C-13-H3C-13-H2C-13-N
  747232.2775  0.0139 -4.9404 3  205.8989 79  58516 30339 237      38 138        C-13-H3C-13-H2C-13-N
  747267.9561  0.0139 -5.6507 3  205.8978 79  58516 30339 237      38 038        C-13-H3C-13-H2C-13-N
  747370.5439  0.0258 -5.5541 3 1019.5948165  58516 30382 973      82 676        C-13-H3C-13-H2C-13-N
  747534.3472  0.1149 -5.4382 3 2107.9360173  58516 303863848      853847        C-13-H3C-13-H2C-13-N
  747534.3472  0.1149 -5.4382 3 2107.9360173  58516 303863849      853848        C-13-H3C-13-H2C-13-N
  747613.8453  0.0110 -4.3212 3  836.5670151  58516 30375 769      74 668        C-13-H3C-13-H2C-13-N
  747636.7197  0.0064 -4.2910 3  316.9274 95  58516 30347 443      46 344        C-13-H3C-13-H2C-13-N
  747657.0273  0.0114 -4.3474 3  858.5214153  58516 30376 770      75 669        C-13-H3C-13-H2C-13-N
  747712.0271  0.0042 -3.8766 3  541.1642121  58516 30360 754      59 653        C-13-H3C-13-H2C-13-N
  747738.5730  0.0514 -5.1477 3  627.8786 73  58516 303362511      372414        C-13-H3C-13-H2C-13-N
  747738.5730  0.0514 -5.1477 3  627.8786 73  58516 303362512      372413        C-13-H3C-13-H2C-13-N
  747790.7293  0.0058 -5.2854 3  365.7886 99  58516 30349 743      49 446        C-13-H3C-13-H2C-13-N
  747825.4257  0.0105 -4.2948 3  814.8830149  58516 30374 768      73 667        C-13-H3C-13-H2C-13-N
  748001.1085  0.0117 -4.3734 3  880.7437155  58516 30377 771      76 670        C-13-H3C-13-H2C-13-N
  748017.8098  0.0032 -4.5730 3 1130.3939177  58516 30388 583      87 682        C-13-H3C-13-H2C-13-N
  748036.9192  0.1451 -5.5570 3 2162.5471173  58516 303863947      853946        C-13-H3C-13-H2C-13-N
  748036.9192  0.1451 -5.5570 3 2162.5471173  58516 303863948      853947        C-13-H3C-13-H2C-13-N
  748077.6468  0.0223 -5.5092 3  972.2708161  58516 30380 971      80 674        C-13-H3C-13-H2C-13-N
  748175.5506  0.0054 -5.5148 3  111.0468 57  58516 30328 523      27 226        C-13-H3C-13-H2C-13-N
  748220.4904  0.3563 -5.6793 3 1164.4387121  58516 303603030      612933        C-13-H3C-13-H2C-13-N
  748220.4904  0.3563 -5.6793 3 1164.4387121  58516 303603031      612932        C-13-H3C-13-H2C-13-N
  748241.7766  0.0100 -4.2680 3  793.4719147  58516 30373 767      72 666        C-13-H3C-13-H2C-13-N
  748260.3475  0.0079 -4.7559 3 1168.3757179  58516 30389 683      88 782        C-13-H3C-13-H2C-13-N
  748473.7077  0.0036 -4.9644 3  263.1120 85  58516 30342 636      41 437        C-13-H3C-13-H2C-13-N
  748524.6583  0.0154 -5.4954 3  665.6366135  58516 30367 661      67 364        C-13-H3C-13-H2C-13-N
  748542.0231  0.0031 -3.2796 3 1118.1687175  58516 30387 781      86 780        C-13-H3C-13-H2C-13-N
  748552.1421  0.1823 -5.6786 3 2218.4029173  58516 303864046      854045        C-13-H3C-13-H2C-13-N
  748552.1421  0.1823 -5.6786 3 2218.4029173  58516 303864047      854046        C-13-H3C-13-H2C-13-N
  748615.8525  0.0058 -4.3399 3 1141.2306183  58516 30391 190      90 289        C-13-H3C-13-H2C-13-N
  748615.8579  0.0058 -3.3055 3 1141.2306183  58516 30391 290      90 289        C-13-H3C-13-H2C-13-N
  748615.8593  0.0058 -3.3055 3 1141.2306183  58516 30391 190      90 189        C-13-H3C-13-H2C-13-N
  748615.8647  0.0058 -4.3399 3 1141.2306183  58516 30391 290      90 189        C-13-H3C-13-H2C-13-N
  748687.2931  0.0119 -4.3994 3  903.2317157  58516 30378 772      77 671        C-13-H3C-13-H2C-13-N
  748810.0847  0.0095 -4.2408 3  772.3364145  58516 30372 766      71 665        C-13-H3C-13-H2C-13-N
  748907.4730  0.0281 -5.5822 3 1043.6434167  58516 30383 974      83 677        C-13-H3C-13-H2C-13-N
  749016.4122  0.0233 -5.1021 3 1284.6996187  58516 30393 786      92 885        C-13-H3C-13-H2C-13-N
  749052.2277  0.0311 -5.2419 3  542.9091 63  58516 3033124 7      322310        C-13-H3C-13-H2C-13-N
  749052.2277  0.0311 -5.2419 3  542.9091 63  58516 3033124 8      3223 9        C-13-H3C-13-H2C-13-N
  749350.6100  0.0017 -3.3603 3  308.5238 87  58516 30343 935      42 834        C-13-H3C-13-H2C-13-N
  749356.5450  0.0017 -3.3603 3  308.5236 87  58516 30343 934      42 835        C-13-H3C-13-H2C-13-N
  749457.2900  0.0045 -3.9079 3  558.7931123  58516 30361 755      60 654        C-13-H3C-13-H2C-13-N
  749475.6477  0.0090 -4.2130 3  751.4792143  58516 30371 765      70 664        C-13-H3C-13-H2C-13-N
  749646.2767  0.0041 -3.2837 3 1117.7279173  58516 30386 977      85 976        C-13-H3C-13-H2C-13-N
  749713.7941  0.0033 -3.7120 3 1318.9617175  58516 303871869      861868        C-13-H3C-13-H2C-13-N
  749713.7941  0.0033 -3.7120 3 1318.9617175  58516 303871870      861869        C-13-H3C-13-H2C-13-N
  749725.1764  0.0032 -3.6559 3 1293.0359175  58516 303871770      861769        C-13-H3C-13-H2C-13-N
  749725.1764  0.0032 -3.6559 3 1293.0359175  58516 303871771      861770        C-13-H3C-13-H2C-13-N
  749750.8114  0.0120 -4.4255 3  925.9834159  58516 30379 773      78 672        C-13-H3C-13-H2C-13-N
  749760.3842  0.0036 -3.7713 3 1346.3664175  58516 303871968      861967        C-13-H3C-13-H2C-13-N
  749760.3842  0.0036 -3.7713 3 1346.3664175  58516 303871969      861968        C-13-H3C-13-H2C-13-N
  749806.9010  0.0030 -3.6030 3 1268.6047175  58516 303871672      861671        C-13-H3C-13-H2C-13-N
  749806.9011  0.0030 -3.6030 3 1268.6047175  58516 303871671      861670        C-13-H3C-13-H2C-13-N
  749855.8431  0.0038 -3.8337 3 1375.2366175  58516 303872067      862066        C-13-H3C-13-H2C-13-N
  749855.8431  0.0038 -3.8337 3 1375.2366175  58516 303872068      862067        C-13-H3C-13-H2C-13-N
  749970.9867  0.2559 -5.4940 3 1037.7165111  58516 303552926      562829        C-13-H3C-13-H2C-13-N
  749970.9867  0.2559 -5.4940 3 1037.7165111  58516 303552927      562828        C-13-H3C-13-H2C-13-N
  749976.2661  0.0029 -3.5532 3 1245.6862175  58516 303871573      861572        C-13-H3C-13-H2C-13-N
  749976.2686  0.0029 -3.5532 3 1245.6862175  58516 303871572      861571        C-13-H3C-13-H2C-13-N
  749993.3100  0.0041 -3.8992 3 1405.5597175  58516 303872166      862165        C-13-H3C-13-H2C-13-N
  749993.3100  0.0041 -3.8992 3 1405.5597175  58516 303872167      862166        C-13-H3C-13-H2C-13-N
  750167.5088  0.0045 -3.9678 3 1437.3243175  58516 303872265      862264        C-13-H3C-13-H2C-13-N
  750167.5088  0.0045 -3.9678 3 1437.3243175  58516 303872266      862265        C-13-H3C-13-H2C-13-N
  750182.6777  0.0084 -4.1846 3  730.9031141  58516 30370 764      69 663        C-13-H3C-13-H2C-13-N
  750218.9868  0.0210 -5.4920 3  948.9969159  58516 30379 970      79 673        C-13-H3C-13-H2C-13-N
  750258.3352  0.0027 -3.5066 3 1224.3032175  58516 303871474      861473        C-13-H3C-13-H2C-13-N
  750258.3824  0.0027 -3.5066 3 1224.3032175  58516 303871473      861472        C-13-H3C-13-H2C-13-N
  750259.4920  0.0178 -5.5640 3  466.5982 53  58516 3032623 3      2722 6        C-13-H3C-13-H2C-13-N
  750259.4920  0.0178 -5.5640 3  466.5982 53  58516 3032623 4      2722 5        C-13-H3C-13-H2C-13-N
  750315.1115  0.0090 -4.3079 3 1147.3121185  58516 30392 092      91 191        C-13-H3C-13-H2C-13-N
  750315.1115  0.0090 -3.3109 3 1147.3121185  58516 30392 192      91 191        C-13-H3C-13-H2C-13-N
  750315.1116  0.0090 -3.3109 3 1147.3121185  58516 30392 092      91 091        C-13-H3C-13-H2C-13-N
  750315.1116  0.0090 -4.3079 3 1147.3121185  58516 30392 192      91 091        C-13-H3C-13-H2C-13-N
  750366.2655  0.0142 -5.5718 3  528.2483121  58516 30360 555      60 258        C-13-H3C-13-H2C-13-N
  750374.3091  0.0049 -4.0394 3 1470.5193175  58516 303872364      862363        C-13-H3C-13-H2C-13-N
  750374.3091  0.0049 -4.0394 3 1470.5193175  58516 303872365      862364        C-13-H3C-13-H2C-13-N
  750382.7985  0.0032 -3.2976 3 1130.3939177  58516 30388 683      87 682        C-13-H3C-13-H2C-13-N
  750566.6940  0.0024 -3.6886 3  441.1479109  58516 30354 747      53 648        C-13-H3C-13-H2C-13-N
  750610.4258  0.0053 -4.1142 3 1505.1338175  58516 303872463      862462        C-13-H3C-13-H2C-13-N
  750610.4258  0.0053 -4.1142 3 1505.1338175  58516 303872464      862463        C-13-H3C-13-H2C-13-N
  750627.5386  0.0033 -5.4675 3  105.3148 51  58516 30325 718      24 519        C-13-H3C-13-H2C-13-N
  750690.9472  0.0026 -3.4633 3 1204.4858175  58516 303871375      861374        C-13-H3C-13-H2C-13-N
  750691.7121  0.0026 -3.4633 3 1204.4859175  58516 303871374      861373        C-13-H3C-13-H2C-13-N
  750712.8432  0.0033 -5.4674 3  105.3120 51  58516 30325 719      24 520        C-13-H3C-13-H2C-13-N
  750764.0710  0.0049 -3.9395 3  576.7259125  58516 30362 756      61 655        C-13-H3C-13-H2C-13-N
  750827.1137  0.0032 -3.2969 3 1130.3002177  58516 30388 583      87 582        C-13-H3C-13-H2C-13-N
  750873.2080  0.0058 -4.1920 3 1541.1574175  58516 303872562      862561        C-13-H3C-13-H2C-13-N
  750873.2080  0.0058 -4.1920 3 1541.1574175  58516 303872563      862562        C-13-H3C-13-H2C-13-N
  750874.9809  0.0079 -4.1557 3  710.6107139  58516 30369 763      68 662        C-13-H3C-13-H2C-13-N
  751160.4878  0.0066 -4.2728 3 1578.5795175  58516 303872661      862660        C-13-H3C-13-H2C-13-N
  751160.4878  0.0066 -4.2728 3 1578.5795175  58516 303872662      862661        C-13-H3C-13-H2C-13-N
  751212.1520  0.0036 -4.9446 3  275.5032 87  58516 30343 637      42 438        C-13-H3C-13-H2C-13-N
  751220.0143  0.0121 -4.4518 3  948.9969161  58516 30380 774      79 673        C-13-H3C-13-H2C-13-N
  751221.7223  0.0366 -5.5880 3  985.5719163  58516 30381 873      81 576        C-13-H3C-13-H2C-13-N
  751332.1909  0.0025 -3.4232 3 1186.2759175  58516 303871276      861275        C-13-H3C-13-H2C-13-N
  751342.4025  0.0025 -3.4232 3 1186.2771175  58516 303871275      861274        C-13-H3C-13-H2C-13-N
  751372.1771  0.0062 -4.9938 3  316.8028 95  58516 30347 443      46 244        C-13-H3C-13-H2C-13-N
  751470.4695  0.0076 -4.3566 3 1617.3897175  58516 303872760      862759        C-13-H3C-13-H2C-13-N
  751470.4695  0.0076 -4.3566 3 1617.3897175  58516 303872761      862760        C-13-H3C-13-H2C-13-N
  751496.5379  0.0074 -4.1262 3  690.6047137  58516 30368 762      67 661        C-13-H3C-13-H2C-13-N
  751616.1540  0.0035 -4.5030 3 1141.2367179  58516 30389 485      88 584        C-13-H3C-13-H2C-13-N
  751658.8137  0.1796 -5.3419 3  919.6190101  58516 303502822      512725        C-13-H3C-13-H2C-13-N
  751658.8137  0.1796 -5.3419 3  919.6190101  58516 303502823      512724        C-13-H3C-13-H2C-13-N
  751662.9831  0.0052 -3.9713 3  594.9611127  58516 30363 757      62 656        C-13-H3C-13-H2C-13-N
  751760.0866  0.0308 -5.6140 3 1067.9491169  58516 30384 975      84 678        C-13-H3C-13-H2C-13-N
  751780.2823  0.0035 -3.3133 3 1141.2367179  58516 30389 585      88 584        C-13-H3C-13-H2C-13-N
  751785.3321  0.0033 -3.2740 3 1117.3315175  58516 30387 681      86 680        C-13-H3C-13-H2C-13-N
  751801.6484  0.0092 -4.4435 3 1657.5776175  58516 303872859      862858        C-13-H3C-13-H2C-13-N
  751801.6484  0.0092 -4.4435 3 1657.5776175  58516 303872860      862859        C-13-H3C-13-H2C-13-N
  751815.3878  0.0035 -3.3132 3 1141.2301179  58516 30389 485      88 484        C-13-H3C-13-H2C-13-N
  751881.2727  0.0016 -3.2648 3  263.3196 77  58516 303381029      37 928        C-13-H3C-13-H2C-13-N
  751881.2947  0.0016 -3.2648 3  263.3195 77  58516 303381028      37 929        C-13-H3C-13-H2C-13-N
  751979.5161  0.0035 -4.5026 3 1141.2301179  58516 30389 585      88 484        C-13-H3C-13-H2C-13-N
  751992.0307  0.0069 -4.0960 3  670.8878135  58516 30367 761      66 660        C-13-H3C-13-H2C-13-N
  751992.4490  0.0018 -3.5042 3  376.5605 99  58516 30349 842      48 741        C-13-H3C-13-H2C-13-N
  752058.2530  0.0059 -5.2831 3  380.1326101  58516 30350 744      50 447        C-13-H3C-13-H2C-13-N
  752152.7484  0.0117 -4.5333 3 1699.1327175  58516 303872958      862957        C-13-H3C-13-H2C-13-N
  752152.7484  0.0117 -4.5333 3 1699.1327175  58516 303872959      862958        C-13-H3C-13-H2C-13-N
  752190.9761  0.0056 -4.0029 3  613.4970129  58516 30364 758      63 657        C-13-H3C-13-H2C-13-N
  752254.3744  0.0026 -3.3863 3 1169.7336175  58516 303871177      861176        C-13-H3C-13-H2C-13-N
  752307.3704  0.0064 -4.0654 3  651.4627133  58516 30366 760      65 659        C-13-H3C-13-H2C-13-N
  752363.4015  0.0026 -3.3862 3 1169.7480175  58516 303871176      861175        C-13-H3C-13-H2C-13-N
  752390.2798  0.0060 -4.0343 3  632.3316131  58516 30365 759      64 658        C-13-H3C-13-H2C-13-N
  752522.6761  0.0152 -4.6261 3 1742.0443175  58516 303873057      863056        C-13-H3C-13-H2C-13-N
  752522.6761  0.0152 -4.6261 3 1742.0443175  58516 303873058      863057        C-13-H3C-13-H2C-13-N
  752744.1018  0.0018 -3.5035 3  376.5374 99  58516 30349 841      48 742        C-13-H3C-13-H2C-13-N
  752807.8096  0.0033 -3.2997 3 1129.8968175  58516 30387 880      86 879        C-13-H3C-13-H2C-13-N
  752841.5760  0.0030 -5.0860 3  194.2420 73  58516 30336 631      35 432        C-13-H3C-13-H2C-13-N
  752910.4843  0.0200 -4.7218 3 1786.3018175  58516 303873156      863155        C-13-H3C-13-H2C-13-N
  752910.4843  0.0200 -4.7218 3 1786.3018175  58516 303873157      863156        C-13-H3C-13-H2C-13-N
  753115.6995  0.0120 -4.4784 3  972.2708163  58516 30381 775      80 674        C-13-H3C-13-H2C-13-N
  753192.1023  0.0037 -4.5668 3 1130.3002177  58516 30388 683      87 582        C-13-H3C-13-H2C-13-N
  753274.6956  0.1227 -5.2293 3  810.1552 91  58516 303452718      462621        C-13-H3C-13-H2C-13-N
  753274.6956  0.1227 -5.2293 3  810.1552 91  58516 303452719      462620        C-13-H3C-13-H2C-13-N
  753294.5001  0.0039 -4.4530 3 1150.7359181  58516 30390 387      89 486        C-13-H3C-13-H2C-13-N
  753302.1484  0.0039 -3.3260 3 1150.7359181  58516 30390 487      89 486        C-13-H3C-13-H2C-13-N
  753303.9423  0.0039 -3.3260 3 1150.7356181  58516 30390 387      89 386        C-13-H3C-13-H2C-13-N
  753311.5906  0.0039 -4.4530 3 1150.7356181  58516 30390 487      89 386        C-13-H3C-13-H2C-13-N
  753315.3443  0.0265 -4.8205 3 1831.8945175  58516 303873255      863254        C-13-H3C-13-H2C-13-N
  753315.3443  0.0265 -4.8205 3 1831.8945175  58516 303873256      863255        C-13-H3C-13-H2C-13-N
  753321.1052  0.0017 -3.1929 3  226.8907 67  58516 303331122      321023        C-13-H3C-13-H2C-13-N
  753321.1052  0.0017 -3.1929 3  226.8907 67  58516 303331123      321022        C-13-H3C-13-H2C-13-N
  753410.8435  0.0028 -3.3530 3 1154.9256175  58516 303871078      861077        C-13-H3C-13-H2C-13-N
  753470.8944  0.0199 -5.4780 3  925.9834157  58516 30378 969      78 672        C-13-H3C-13-H2C-13-N
  753557.2778  0.0122 -5.6706 3  362.6906101  58516 30350 546      50 249        C-13-H3C-13-H2C-13-N
  753736.5240  0.0348 -4.9221 3 1878.8114175  58516 303873354      863353        C-13-H3C-13-H2C-13-N
  753736.5240  0.0348 -4.9221 3 1878.8114175  58516 303873355      863354        C-13-H3C-13-H2C-13-N
  753771.3026  0.0035 -3.2428 3 1101.1782173  58516 30386 779      85 778        C-13-H3C-13-H2C-13-N
  753932.5614  0.0036 -4.9248 3  288.1910 89  58516 30344 638      43 439        C-13-H3C-13-H2C-13-N
  754124.7328  0.0032 -3.3238 3 1141.8063175  58516 30387 979      86 978        C-13-H3C-13-H2C-13-N
  754173.3706  0.0455 -5.0266 3 1927.0415175  58516 303873453      863452        C-13-H3C-13-H2C-13-N
  754173.3706  0.0455 -5.0266 3 1927.0415175  58516 303873454      863453        C-13-H3C-13-H2C-13-N
  754199.8252  0.0018 -3.1403 3  199.1756 57  58516 303281216      271117        C-13-H3C-13-H2C-13-N
  754199.8252  0.0018 -3.1403 3  199.1756 57  58516 303281217      271116        C-13-H3C-13-H2C-13-N
  754290.4301  0.0030 -3.3523 3 1155.0623175  58516 303871077      861076        C-13-H3C-13-H2C-13-N
  754373.4638  0.0035 -4.4610 3  230.8239 81  58516 30340 536      39 237        C-13-H3C-13-H2C-13-N
  754625.2967  0.0589 -5.1339 3 1976.5738175  58516 303873552      863551        C-13-H3C-13-H2C-13-N
  754625.2967  0.0589 -5.1339 3 1976.5738175  58516 303873553      863552        C-13-H3C-13-H2C-13-N
  754738.1760  0.0021 -3.1030 3  180.1457 47  58516 303231310      221211        C-13-H3C-13-H2C-13-N
  754738.1760  0.0021 -3.1030 3  180.1457 47  58516 303231311      221210        C-13-H3C-13-H2C-13-N
  754809.2527  0.0811 -5.1670 3  709.3329 81  58516 303402614      412517        C-13-H3C-13-H2C-13-N
  754809.2527  0.0811 -5.1670 3  709.3329 81  58516 303402615      412516        C-13-H3C-13-H2C-13-N
  754858.8077  0.0046 -3.8934 3  448.5282111  58516 30355 649      54 550        C-13-H3C-13-H2C-13-N
  754939.0902  0.0048 -4.4125 3 1159.0239183  58516 30391 289      90 388        C-13-H3C-13-H2C-13-N
  754939.3234  0.0048 -3.3361 3 1159.0239183  58516 30391 389      90 388        C-13-H3C-13-H2C-13-N
  754939.3822  0.0048 -3.3361 3 1159.0238183  58516 30391 289      90 288        C-13-H3C-13-H2C-13-N
  754939.6154  0.0048 -4.4125 3 1159.0238183  58516 30391 389      90 288        C-13-H3C-13-H2C-13-N
  755033.8577  0.0024 -3.0754 3  169.7883 37  58516 3031814 4      1713 5        C-13-H3C-13-H2C-13-N
  755033.8577  0.0024 -3.0754 3  169.7883 37  58516 3031814 5      1713 4        C-13-H3C-13-H2C-13-N
  755091.7698  0.0757 -5.2441 3 2027.3971175  58516 303873651      863650        C-13-H3C-13-H2C-13-N
  755091.7698  0.0757 -5.2441 3 2027.3971175  58516 303873652      863651        C-13-H3C-13-H2C-13-N
  755251.9959  0.0079 -5.4133 3  415.9554107  58516 30353 648      53 351        C-13-H3C-13-H2C-13-N
  755385.7692  0.0044 -3.2565 3 1108.4160173  58516 30386 878      85 877        C-13-H3C-13-H2C-13-N
  755450.7502  0.0118 -4.5055 3  995.8037165  58516 30382 776      81 675        C-13-H3C-13-H2C-13-N
  755572.3031  0.0965 -5.3572 3 2079.5000175  58516 303873750      863749        C-13-H3C-13-H2C-13-N
  755572.3031  0.0965 -5.3572 3 2079.5000175  58516 303873751      863750        C-13-H3C-13-H2C-13-N
  755698.3103  0.0065 -5.2999 3  451.6762109  58516 30354 846      54 549        C-13-H3C-13-H2C-13-N
  755786.5880  0.0039 -5.0362 3  242.6663 83  58516 30341 537      40 338        C-13-H3C-13-H2C-13-N
  755960.1143  0.0339 -5.6498 3 1092.5118171  58516 30385 976      85 679        C-13-H3C-13-H2C-13-N
  756066.4486  0.1221 -5.4731 3 2132.8711175  58516 303873849      863848        C-13-H3C-13-H2C-13-N
  756066.4486  0.1221 -5.4731 3 2132.8711175  58516 303873850      863849        C-13-H3C-13-H2C-13-N
  756248.9209  0.0080 -4.5479 3  258.8364 87  58516 30343 340      42 241        C-13-H3C-13-H2C-13-N
  756253.0952  0.0515 -5.1765 3  617.1588 71  58516 303352510      362413        C-13-H3C-13-H2C-13-N
  756253.0952  0.0515 -5.1765 3  617.1588 71  58516 303352511      362412        C-13-H3C-13-H2C-13-N
  756389.6122  0.0032 -4.6054 3 1155.4239179  58516 30389 584      88 683        C-13-H3C-13-H2C-13-N
  756550.7239  0.3563 -5.6539 3 1146.7693119  58516 303593029      602932        C-13-H3C-13-H2C-13-N
  756550.7239  0.3563 -5.6539 3 1146.7693119  58516 303593030      602931        C-13-H3C-13-H2C-13-N
  756573.7911  0.1537 -5.5918 3 2187.4990175  58516 303873948      863947        C-13-H3C-13-H2C-13-N
  756573.7911  0.1537 -5.5918 3 2187.4990175  58516 303873949      863948        C-13-H3C-13-H2C-13-N
  756625.4974  0.0031 -3.3175 3 1143.1374177  58516 30388 782      87 781        C-13-H3C-13-H2C-13-N
  756628.4408  0.0059 -4.3776 3 1166.2017185  58516 30392 191      91 290        C-13-H3C-13-H2C-13-N
  756628.4450  0.0059 -3.3438 3 1166.2017185  58516 30392 291      91 290        C-13-H3C-13-H2C-13-N
  756628.4461  0.0059 -3.3438 3 1166.2017185  58516 30392 191      91 190        C-13-H3C-13-H2C-13-N
  756628.4504  0.0059 -4.3776 3 1166.2017185  58516 30392 291      91 190        C-13-H3C-13-H2C-13-N
  756719.7872  0.0035 -4.9052 3  301.1734 91  58516 30345 639      44 440        C-13-H3C-13-H2C-13-N
  756761.4362  0.0080 -5.2538 3  258.8193 87  58516 30343 340      42 141        C-13-H3C-13-H2C-13-N
  756826.2819  0.0060 -5.2833 3  394.7514103  58516 30351 745      51 448        C-13-H3C-13-H2C-13-N
  757492.6353  0.0054 -4.8033 3  379.5486103  58516 30351 546      50 347        C-13-H3C-13-H2C-13-N
  757596.9240  0.0312 -5.3084 3  533.6387 61  58516 3033024 6      3123 9        C-13-H3C-13-H2C-13-N
  757596.9240  0.0312 -5.3084 3  533.6387 61  58516 3033024 7      3123 8        C-13-H3C-13-H2C-13-N
  757756.1308  0.0017 -3.3720 3  320.9560 89  58516 30344 936      43 835        C-13-H3C-13-H2C-13-N
  757763.3393  0.0190 -5.4669 3  903.2317155  58516 30377 968      77 671        C-13-H3C-13-H2C-13-N
  757764.7062  0.0017 -3.3720 3  320.9558 89  58516 30344 935      43 836        C-13-H3C-13-H2C-13-N
  758210.5650  0.0034 -3.7492 3 1343.9694177  58516 303881870      871869        C-13-H3C-13-H2C-13-N
  758210.5650  0.0034 -3.7492 3 1343.9694177  58516 303881871      871870        C-13-H3C-13-H2C-13-N
  758228.1496  0.0032 -3.6932 3 1318.0441177  58516 303881771      871770        C-13-H3C-13-H2C-13-N
  758228.1496  0.0032 -3.6932 3 1318.0441177  58516 303881772      871771        C-13-H3C-13-H2C-13-N
  758230.1339  0.0115 -4.5331 3 1019.5948167  58516 30383 777      82 676        C-13-H3C-13-H2C-13-N
  758252.6025  0.0036 -3.8084 3 1371.3757177  58516 303881969      871968        C-13-H3C-13-H2C-13-N
  758252.6025  0.0036 -3.8084 3 1371.3757177  58516 303881970      871969        C-13-H3C-13-H2C-13-N
  758318.1943  0.0031 -3.6403 3 1293.6155177  58516 303881673      871672        C-13-H3C-13-H2C-13-N
  758318.1945  0.0031 -3.6403 3 1293.6155177  58516 303881672      871671        C-13-H3C-13-H2C-13-N
  758329.2573  0.0091 -3.3494 3 1172.3399187  58516 30393 093      92 092        C-13-H3C-13-H2C-13-N
  758329.2573  0.0091 -4.3462 3 1172.3399187  58516 30393 093      92 192        C-13-H3C-13-H2C-13-N
  758329.2573  0.0091 -4.3462 3 1172.3399187  58516 30393 193      92 092        C-13-H3C-13-H2C-13-N
  758329.2573  0.0091 -3.3494 3 1172.3399187  58516 30393 193      92 192        C-13-H3C-13-H2C-13-N
  758344.5832  0.2559 -5.4752 3 1021.4928109  58516 303542925      552828        C-13-H3C-13-H2C-13-N
  758344.5832  0.2559 -5.4752 3 1021.4928109  58516 303542926      552827        C-13-H3C-13-H2C-13-N
  758344.8278  0.0039 -3.8708 3 1400.2491177  58516 303882068      872067        C-13-H3C-13-H2C-13-N
  758344.8278  0.0039 -3.8708 3 1400.2491177  58516 303882069      872068        C-13-H3C-13-H2C-13-N
  758378.0333  0.0032 -3.3359 3 1155.4239179  58516 30389 684      88 683        C-13-H3C-13-H2C-13-N
  758480.1389  0.0042 -3.9362 3 1430.5768177  58516 303882167      872166        C-13-H3C-13-H2C-13-N
  758480.1389  0.0042 -3.9362 3 1430.5768177  58516 303882168      872167        C-13-H3C-13-H2C-13-N
  758498.6863  0.0029 -3.5905 3 1270.7027177  58516 303881574      871573        C-13-H3C-13-H2C-13-N
  758498.6896  0.0029 -3.5905 3 1270.7027177  58516 303881573      871572        C-13-H3C-13-H2C-13-N
  758551.1713  0.0074 -4.7826 3 1193.8831181  58516 30390 684      89 783        C-13-H3C-13-H2C-13-N
  758653.0787  0.0045 -4.0048 3 1462.3472177  58516 303882266      872265        C-13-H3C-13-H2C-13-N
  758653.0787  0.0045 -4.0048 3 1462.3472177  58516 303882267      872266        C-13-H3C-13-H2C-13-N
  758744.3661  0.0044 -3.3204 3 1142.7334175  58516 30387 978      86 977        C-13-H3C-13-H2C-13-N
  758754.6009  0.0033 -3.3353 3 1155.3450179  58516 30389 584      88 583        C-13-H3C-13-H2C-13-N
  758795.7539  0.0028 -3.5440 3 1249.3291177  58516 303881475      871474        C-13-H3C-13-H2C-13-N
  758795.8168  0.0028 -3.5440 3 1249.3291177  58516 303881474      871473        C-13-H3C-13-H2C-13-N
  758859.3784  0.0049 -4.0764 3 1495.5490177  58516 303882365      872364        C-13-H3C-13-H2C-13-N
  758859.3784  0.0049 -4.0764 3 1495.5490177  58516 303882366      872365        C-13-H3C-13-H2C-13-N
  758929.7760  0.0032 -5.4270 3  112.5494 53  58516 30326 719      25 520        C-13-H3C-13-H2C-13-N
  759056.7952  0.0032 -5.4269 3  112.5451 53  58516 30326 720      25 521        C-13-H3C-13-H2C-13-N
  759095.6450  0.0054 -4.1511 3 1530.1715177  58516 303882464      872463        C-13-H3C-13-H2C-13-N
  759095.6450  0.0054 -4.1511 3 1530.1715177  58516 303882465      872464        C-13-H3C-13-H2C-13-N
  759248.9375  0.0026 -3.5007 3 1229.5262177  58516 303881376      871375        C-13-H3C-13-H2C-13-N
  759249.9294  0.0026 -3.5007 3 1229.5263177  58516 303881375      871374        C-13-H3C-13-H2C-13-N
  759359.1420  0.0060 -4.2288 3 1566.2038177  58516 303882563      872562        C-13-H3C-13-H2C-13-N
  759359.1420  0.0060 -4.2288 3 1566.2038177  58516 303882564      872563        C-13-H3C-13-H2C-13-N
  759505.3428  0.0033 -3.3126 3 1142.4083177  58516 30388 682      87 681        C-13-H3C-13-H2C-13-N
  759638.4977  0.0036 -4.5383 3 1166.3134181  58516 30390 486      89 585        C-13-H3C-13-H2C-13-N
  759647.6328  0.0068 -4.3096 3 1603.6355177  58516 303882662      872661        C-13-H3C-13-H2C-13-N
  759647.6328  0.0068 -4.3096 3 1603.6355177  58516 303882663      872662        C-13-H3C-13-H2C-13-N
  759664.6998  0.0035 -4.8860 3  314.4482 93  58516 30346 640      45 441        C-13-H3C-13-H2C-13-N
  759773.6221  0.0036 -3.3517 3 1166.3134181  58516 30390 586      89 585        C-13-H3C-13-H2C-13-N
  759802.6260  0.0036 -3.3517 3 1166.3079181  58516 30390 486      89 485        C-13-H3C-13-H2C-13-N
  759870.6916  0.0018 -3.5217 3  390.7624101  58516 30350 843      49 742        C-13-H3C-13-H2C-13-N
  759888.3066  0.0026 -3.7133 3  456.8079111  58516 30355 748      54 649        C-13-H3C-13-H2C-13-N
  759918.6413  0.0026 -3.4606 3 1211.3377177  58516 303881277      871276        C-13-H3C-13-H2C-13-N
  759931.5472  0.0026 -3.4606 3 1211.3392177  58516 303881276      871275        C-13-H3C-13-H2C-13-N
  759937.7503  0.0036 -4.5379 3 1166.3079181  58516 30390 586      89 485        C-13-H3C-13-H2C-13-N
  759957.3823  0.0134 -5.6442 3  205.8989 79  58516 30339 337      38 138        C-13-H3C-13-H2C-13-N
  759959.2657  0.0080 -4.3934 3 1642.4561177  58516 303882761      872760        C-13-H3C-13-H2C-13-N
  759959.2657  0.0080 -4.3934 3 1642.4561177  58516 303882762      872761        C-13-H3C-13-H2C-13-N
  759993.0609  0.0134 -4.9344 3  205.8978 79  58516 30339 337      38 038        C-13-H3C-13-H2C-13-N
  760073.1211  0.1797 -5.3309 3  904.8423 99  58516 303492821      502724        C-13-H3C-13-H2C-13-N
  760073.1211  0.1797 -5.3309 3  904.8423 99  58516 303492822      502723        C-13-H3C-13-H2C-13-N
  760292.4896  0.0099 -4.4801 3 1682.6550177  58516 303882860      872859        C-13-H3C-13-H2C-13-N
  760292.4896  0.0099 -4.4801 3 1682.6550177  58516 303882861      872860        C-13-H3C-13-H2C-13-N
  760444.5281  0.0017 -3.2726 3  274.2964 79  58516 303391030      38 929        C-13-H3C-13-H2C-13-N
  760444.5636  0.0017 -3.2726 3  274.2964 79  58516 303391029      38 930        C-13-H3C-13-H2C-13-N
  760645.9903  0.0126 -4.5699 3 1724.2218177  58516 303882959      872958        C-13-H3C-13-H2C-13-N
  760645.9903  0.0126 -4.5699 3 1724.2218177  58516 303882960      872959        C-13-H3C-13-H2C-13-N
  760743.0219  0.0037 -4.6002 3 1155.3450179  58516 30389 684      88 583        C-13-H3C-13-H2C-13-N
  760857.7236  0.0018 -3.5208 3  390.7322101  58516 30350 842      49 743        C-13-H3C-13-H2C-13-N
  760875.8700  0.0026 -3.4239 3 1194.8261177  58516 303881178      871177        C-13-H3C-13-H2C-13-N
  761009.8536  0.0026 -3.4238 3 1194.8442177  58516 303881177      871176        C-13-H3C-13-H2C-13-N
  761018.6418  0.0165 -4.6626 3 1767.1458177  58516 303883058      873057        C-13-H3C-13-H2C-13-N
  761018.6418  0.0165 -4.6626 3 1767.1458177  58516 303883059      873058        C-13-H3C-13-H2C-13-N
  761069.1655  0.0063 -4.1016 3  394.7514105  58516 30352 547      51 448        C-13-H3C-13-H2C-13-N
  761111.1955  0.0034 -3.3377 3 1155.0078177  58516 30388 881      87 880        C-13-H3C-13-H2C-13-N
  761297.6023  0.0040 -4.4897 3 1175.8633183  58516 30391 388      90 487        C-13-H3C-13-H2C-13-N
  761303.7959  0.0040 -3.3646 3 1175.8633183  58516 30391 488      90 487        C-13-H3C-13-H2C-13-N
  761305.2505  0.0040 -3.3646 3 1175.8631183  58516 30391 388      90 387        C-13-H3C-13-H2C-13-N
  761311.4441  0.0040 -4.4897 3 1175.8631183  58516 30391 488      90 387        C-13-H3C-13-H2C-13-N
  761409.4695  0.0218 -4.7583 3 1811.4162177  58516 303883157      873156        C-13-H3C-13-H2C-13-N
  761409.4695  0.0218 -4.7583 3 1811.4162177  58516 303883158      873157        C-13-H3C-13-H2C-13-N
  761451.2655  0.0112 -4.5613 3 1043.6434169  58516 30384 778      83 677        C-13-H3C-13-H2C-13-N
  761727.0177  0.1228 -5.2283 3  796.8265 89  58516 303442717      452620        C-13-H3C-13-H2C-13-N
  761727.0177  0.1228 -5.2283 3  796.8265 89  58516 303442718      452619        C-13-H3C-13-H2C-13-N
  761768.1768  0.0030 -5.0674 3  204.6596 75  58516 30337 632      36 433        C-13-H3C-13-H2C-13-N
  761778.7255  0.0036 -3.2813 3 1126.3213175  58516 30387 780      86 779        C-13-H3C-13-H2C-13-N
  761817.6209  0.0288 -4.8569 3 1857.0224177  58516 303883256      873255        C-13-H3C-13-H2C-13-N
  761817.6209  0.0288 -4.8569 3 1857.0224177  58516 303883257      873256        C-13-H3C-13-H2C-13-N
  761959.5055  0.0017 -3.1973 3  236.4201 69  58516 303341123      331024        C-13-H3C-13-H2C-13-N
  761959.5055  0.0017 -3.1973 3  236.4201 69  58516 303341124      331023        C-13-H3C-13-H2C-13-N
  762045.3374  0.0029 -3.3906 3 1180.0567177  58516 303881079      871078        C-13-H3C-13-H2C-13-N
  762112.2517  0.0062 -5.2861 3  409.6446105  58516 30352 746      52 449        C-13-H3C-13-H2C-13-N
  762151.5402  0.0055 -5.4733 3  118.9833 59  58516 30329 524      28 227        C-13-H3C-13-H2C-13-N
  762242.3435  0.0377 -4.9584 3 1903.9533177  58516 303883355      873354        C-13-H3C-13-H2C-13-N
  762242.3435  0.0377 -4.9584 3 1903.9533177  58516 303883356      873355        C-13-H3C-13-H2C-13-N
  762336.5811  0.0063 -5.2336 3  235.5870 83  58516 30341 438      40 239        C-13-H3C-13-H2C-13-N
  762663.7113  0.0033 -3.3616 3 1166.9612177  58516 30388 980      87 979        C-13-H3C-13-H2C-13-N
  762682.9666  0.0491 -5.0628 3 1952.1980177  58516 303883454      873453        C-13-H3C-13-H2C-13-N
  762682.9666  0.0491 -5.0628 3 1952.1980177  58516 303883455      873454        C-13-H3C-13-H2C-13-N
  762863.5062  0.0035 -4.8675 3  328.0131 95  58516 30347 641      46 442        C-13-H3C-13-H2C-13-N
  762874.8953  0.0018 -3.1417 3  207.2611 59  58516 303291217      281118        C-13-H3C-13-H2C-13-N
  762874.8953  0.0018 -3.1417 3  207.2611 59  58516 303291218      281117        C-13-H3C-13-H2C-13-N
  762945.7442  0.0049 -4.4501 3 1184.2059185  58516 30392 290      91 389        C-13-H3C-13-H2C-13-N
  762945.9304  0.0049 -3.3749 3 1184.2059185  58516 30392 390      91 389        C-13-H3C-13-H2C-13-N
  762945.9774  0.0049 -3.3749 3 1184.2059185  58516 30392 290      91 289        C-13-H3C-13-H2C-13-N
  762946.1636  0.0049 -4.4501 3 1184.2059185  58516 30392 390      91 289        C-13-H3C-13-H2C-13-N
  763000.0439  0.0221 -5.1226 3 1311.4593189  58516 30394 787      93 886        C-13-H3C-13-H2C-13-N
  763019.8234  0.0181 -5.4586 3  880.7437153  58516 30376 967      76 670        C-13-H3C-13-H2C-13-N
  763090.0289  0.0032 -3.3898 3 1180.2227177  58516 303881078      871077        C-13-H3C-13-H2C-13-N
  763125.1775  0.0062 -4.5376 3  235.5607 83  58516 30341 438      40 139        C-13-H3C-13-H2C-13-N
  763138.8869  0.0633 -5.1700 3 2001.7454177  58516 303883553      873552        C-13-H3C-13-H2C-13-N
  763138.8869  0.0633 -5.1700 3 2001.7454177  58516 303883554      873553        C-13-H3C-13-H2C-13-N
  763296.8639  0.0812 -5.1801 3  697.4528 79  58516 303392613      402516        C-13-H3C-13-H2C-13-N
  763296.8639  0.0812 -5.1801 3  697.4528 79  58516 303392614      402515        C-13-H3C-13-H2C-13-N
  763429.9662  0.0021 -3.1021 3  186.7886 49  58516 303241311      231212        C-13-H3C-13-H2C-13-N
  763429.9662  0.0021 -3.1021 3  186.7886 49  58516 303241312      231211        C-13-H3C-13-H2C-13-N
  763470.0364  0.0499 -5.5819 3 1490.8196201  58516 303A0 892      99 991        C-13-H3C-13-H2C-13-N
  763609.5580  0.0810 -5.2802 3 2052.5842177  58516 303883652      873651        C-13-H3C-13-H2C-13-N
  763609.5580  0.0810 -5.2802 3 2052.5842177  58516 303883653      873652        C-13-H3C-13-H2C-13-N
  763731.2485  0.0024 -3.0734 3  174.9885 39  58516 3031914 5      1813 6        C-13-H3C-13-H2C-13-N
  763731.2485  0.0024 -3.0734 3  174.9885 39  58516 3031914 6      1813 5        C-13-H3C-13-H2C-13-N
  764094.4805  0.1029 -5.3931 3 2104.7031177  58516 303883751      873750        C-13-H3C-13-H2C-13-N
  764094.4805  0.1029 -5.3931 3 2104.7031177  58516 303883752      873751        C-13-H3C-13-H2C-13-N
  764107.3852  0.0065 -5.6694 3  726.4595137  58516 303681059      68 860        C-13-H3C-13-H2C-13-N
  764265.1412  0.0045 -3.2940 3 1133.6130175  58516 30387 879      86 878        C-13-H3C-13-H2C-13-N
  764320.4311  0.0063 -5.3166 3  435.7588107  58516 30353 845      53 548        C-13-H3C-13-H2C-13-N
  764593.1948  0.1298 -5.5089 3 2158.0908177  58516 303883850      873849        C-13-H3C-13-H2C-13-N
  764593.1948  0.1298 -5.5089 3 2158.0908177  58516 303883851      873850        C-13-H3C-13-H2C-13-N
  764637.6841  0.0061 -4.4159 3 1191.4402187  58516 30393 192      92 291        C-13-H3C-13-H2C-13-N
  764637.6874  0.0061 -3.3828 3 1191.4402187  58516 30393 292      92 291        C-13-H3C-13-H2C-13-N
  764637.6883  0.0061 -3.3828 3 1191.4402187  58516 30393 192      92 191        C-13-H3C-13-H2C-13-N
  764637.6917  0.0061 -4.4159 3 1191.4402187  58516 30393 292      92 191        C-13-H3C-13-H2C-13-N
  764692.2660  0.0032 -3.3562 3 1168.3757179  58516 30389 783      88 782        C-13-H3C-13-H2C-13-N
  764697.7240  0.0032 -4.6387 3 1180.7207181  58516 30390 585      89 684        C-13-H3C-13-H2C-13-N
  764773.2568  0.0516 -5.2122 3  606.7279 69  58516 3033425 9      352412        C-13-H3C-13-H2C-13-N
  764773.2568  0.0516 -5.2122 3  606.7279 69  58516 303342510      352411        C-13-H3C-13-H2C-13-N
  764888.4258  0.3563 -5.6301 3 1129.3871117  58516 303583028      592931        C-13-H3C-13-H2C-13-N
  764888.4258  0.3563 -5.6301 3 1129.3871117  58516 303583029      592930        C-13-H3C-13-H2C-13-N
  765104.6993  0.0108 -4.5902 3 1067.9491171  58516 30385 779      84 678        C-13-H3C-13-H2C-13-N
  765105.2756  0.1627 -5.6275 3 2212.7355177  58516 303883949      873948        C-13-H3C-13-H2C-13-N
  765105.2756  0.1627 -5.6275 3 2212.7355177  58516 303883950      873949        C-13-H3C-13-H2C-13-N
  765856.0855  0.0261 -5.5587 3  839.4792151  58516 30375 768      75 471        C-13-H3C-13-H2C-13-N
  766138.9285  0.0017 -3.3846 3  333.6785 91  58516 30345 937      44 836        C-13-H3C-13-H2C-13-N
  766146.9000  0.0313 -5.3909 3  524.6574 59  58516 3032924 5      3023 8        C-13-H3C-13-H2C-13-N
  766146.9000  0.0313 -5.3909 3  524.6574 59  58516 3032924 6      3023 7        C-13-H3C-13-H2C-13-N
  766151.2052  0.0017 -3.3846 3  333.6781 91  58516 30345 936      44 837        C-13-H3C-13-H2C-13-N
  766340.0593  0.0092 -3.3886 3 1197.6350189  58516 30394 094      93 093        C-13-H3C-13-H2C-13-N
  766340.0593  0.0092 -4.3852 3 1197.6350189  58516 30394 094      93 193        C-13-H3C-13-H2C-13-N
  766340.0593  0.0092 -3.3886 3 1197.6350189  58516 30394 194      93 193        C-13-H3C-13-H2C-13-N
  766340.0594  0.0092 -4.3852 3 1197.6350189  58516 30394 194      93 093        C-13-H3C-13-H2C-13-N
  766367.5520  0.0033 -3.3748 3 1180.7207181  58516 30390 685      89 684        C-13-H3C-13-H2C-13-N
  766416.9868  0.0035 -4.8500 3  341.8659 97  58516 30348 642      47 443        C-13-H3C-13-H2C-13-N
  766602.4359  0.0036 -4.4397 3  242.3055 83  58516 30341 537      40 238        C-13-H3C-13-H2C-13-N
  766686.1451  0.0033 -3.3743 3 1180.6544181  58516 30390 585      89 584        C-13-H3C-13-H2C-13-N
  766703.1918  0.0034 -3.7872 3 1369.2606179  58516 303891871      881870        C-13-H3C-13-H2C-13-N
  766703.1918  0.0034 -3.7872 3 1369.2606179  58516 303891872      881871        C-13-H3C-13-H2C-13-N
  766725.2783  0.2559 -5.4581 3 1005.5568107  58516 303532924      542827        C-13-H3C-13-H2C-13-N
  766725.2783  0.2559 -5.4581 3 1005.5568107  58516 303532925      542826        C-13-H3C-13-H2C-13-N
  766727.1705  0.0033 -3.7312 3 1343.3358179  58516 303891772      881771        C-13-H3C-13-H2C-13-N
  766727.1705  0.0033 -3.7312 3 1343.3358179  58516 303891773      881772        C-13-H3C-13-H2C-13-N
  766740.5206  0.0036 -3.8463 3 1396.6683179  58516 303891970      881969        C-13-H3C-13-H2C-13-N
  766740.5206  0.0036 -3.8463 3 1396.6683179  58516 303891971      881970        C-13-H3C-13-H2C-13-N
  766825.7775  0.0031 -3.6783 3 1318.9103179  58516 303891674      881673        C-13-H3C-13-H2C-13-N
  766825.7777  0.0031 -3.6783 3 1318.9103179  58516 303891673      881672        C-13-H3C-13-H2C-13-N
  766829.3824  0.0039 -3.9086 3 1425.5447179  58516 303892069      882068        C-13-H3C-13-H2C-13-N
  766829.3824  0.0039 -3.9086 3 1425.5447179  58516 303892070      882069        C-13-H3C-13-H2C-13-N
  766962.4272  0.0042 -3.9740 3 1455.8770179  58516 303892168      882167        C-13-H3C-13-H2C-13-N
  766962.4272  0.0042 -3.9740 3 1455.8770179  58516 303892169      882168        C-13-H3C-13-H2C-13-N
  767017.7138  0.0029 -3.6286 3 1296.0035179  58516 303891575      881574        C-13-H3C-13-H2C-13-N
  767017.7183  0.0029 -3.6286 3 1296.0035179  58516 303891574      881573        C-13-H3C-13-H2C-13-N
  767103.3616  0.0405 -5.6461 3 1009.0350165  58516 30382 874      82 577        C-13-H3C-13-H2C-13-N
  767134.0127  0.0045 -4.0425 3 1487.6532179  58516 303892267      882266        C-13-H3C-13-H2C-13-N
  767134.0127  0.0045 -4.0425 3 1487.6532179  58516 303892268      882267        C-13-H3C-13-H2C-13-N
  767174.7965  0.0032 -5.3891 3  120.0754 55  58516 30327 720      26 521        C-13-H3C-13-H2C-13-N
  767198.8230  0.0061 -5.6444 3  706.7146135  58516 303671058      67 859        C-13-H3C-13-H2C-13-N
  767237.4085  0.0033 -3.3520 3 1167.7427179  58516 30389 683      88 682        C-13-H3C-13-H2C-13-N
  767330.2155  0.0028 -3.5821 3 1274.6398179  58516 303891476      881475        C-13-H3C-13-H2C-13-N
  767330.2987  0.0028 -3.5821 3 1274.6399179  58516 303891475      881474        C-13-H3C-13-H2C-13-N
  767339.7283  0.0049 -4.1141 3 1520.8619179  58516 303892366      882365        C-13-H3C-13-H2C-13-N
  767339.7283  0.0049 -4.1141 3 1520.8619179  58516 303892367      882366        C-13-H3C-13-H2C-13-N
  767360.7791  0.0032 -5.3889 3  120.0692 55  58516 30327 721      26 522        C-13-H3C-13-H2C-13-N
  767576.0709  0.0054 -4.1888 3 1555.4922179  58516 303892465      882464        C-13-H3C-13-H2C-13-N
  767576.0709  0.0054 -4.1888 3 1555.4922179  58516 303892466      882465        C-13-H3C-13-H2C-13-N
  767652.5582  0.0036 -4.5743 3 1191.6567183  58516 30391 487      90 586        C-13-H3C-13-H2C-13-N
  767663.5341  0.0018 -3.5401 3  405.2577103  58516 30351 844      50 743        C-13-H3C-13-H2C-13-N
  767763.7393  0.0037 -3.3909 3 1191.6567183  58516 30391 587      90 586        C-13-H3C-13-H2C-13-N
  767787.6825  0.0037 -3.3908 3 1191.6522183  58516 30391 487      90 486        C-13-H3C-13-H2C-13-N
  767804.5892  0.0027 -3.5389 3 1254.8520179  58516 303891377      881376        C-13-H3C-13-H2C-13-N
  767805.8706  0.0027 -3.5389 3 1254.8521179  58516 303891376      881375        C-13-H3C-13-H2C-13-N
  767840.2166  0.0061 -4.2665 3 1591.5333179  58516 303892564      882563        C-13-H3C-13-H2C-13-N
  767840.2166  0.0061 -4.2665 3 1591.5333179  58516 303892565      882564        C-13-H3C-13-H2C-13-N
  767860.4049  0.0046 -3.3580 3 1168.0424177  58516 30388 979      87 978        C-13-H3C-13-H2C-13-N
  767898.8636  0.0037 -4.5740 3 1191.6522183  58516 30391 587      90 486        C-13-H3C-13-H2C-13-N
  767931.5681  0.0063 -5.2914 3  424.8115107  58516 30353 747      53 450        C-13-H3C-13-H2C-13-N
  768095.9314  0.0084 -5.4361 3  431.1869109  58516 30354 649      54 352        C-13-H3C-13-H2C-13-N
  768129.8584  0.0071 -4.3472 3 1628.9746179  58516 303892663      882662        C-13-H3C-13-H2C-13-N
  768129.8584  0.0071 -4.3472 3 1628.9746179  58516 303892664      882663        C-13-H3C-13-H2C-13-N
  768355.9730  0.0036 -4.6344 3 1180.6544181  58516 30390 685      89 584        C-13-H3C-13-H2C-13-N
  768443.0877  0.0085 -4.4309 3 1667.8056179  58516 303892762      882761        C-13-H3C-13-H2C-13-N
  768443.0877  0.0085 -4.4309 3 1667.8056179  58516 303892763      882762        C-13-H3C-13-H2C-13-N
  768494.1556  0.1797 -5.3221 3  890.3537 97  58516 303482820      492723        C-13-H3C-13-H2C-13-N
  768494.1556  0.1797 -5.3221 3  890.3537 97  58516 303482821      492722        C-13-H3C-13-H2C-13-N
  768503.5269  0.0026 -3.4989 3 1236.6858179  58516 303891278      881277        C-13-H3C-13-H2C-13-N
  768519.7777  0.0026 -3.4989 3 1236.6878179  58516 303891277      881276        C-13-H3C-13-H2C-13-N
  768550.8688  0.0068 -4.8111 3 1219.6590183  58516 30391 685      90 784        C-13-H3C-13-H2C-13-N
  768778.3063  0.0106 -4.5176 3 1708.0157179  58516 303892861      882860        C-13-H3C-13-H2C-13-N
  768778.3063  0.0106 -4.5176 3 1708.0157179  58516 303892862      882861        C-13-H3C-13-H2C-13-N
  768950.8659  0.0018 -3.5390 3  405.2185103  58516 30351 843      50 744        C-13-H3C-13-H2C-13-N
  768996.4961  0.0017 -3.2813 3  285.5624 81  58516 303401031      39 930        C-13-H3C-13-H2C-13-N
  768996.5525  0.0017 -3.2813 3  285.5624 81  58516 303401030      39 931        C-13-H3C-13-H2C-13-N
  769134.1607  0.0137 -4.6073 3 1749.5942179  58516 303892960      882959        C-13-H3C-13-H2C-13-N
  769134.1607  0.0137 -4.6073 3 1749.5942179  58516 303892961      882960        C-13-H3C-13-H2C-13-N
  769158.2923  0.0173 -5.4525 3  858.5214151  58516 30375 966      75 669        C-13-H3C-13-H2C-13-N
  769175.0767  0.0103 -4.6199 3 1092.5118173  58516 30386 780      85 679        C-13-H3C-13-H2C-13-N
  769297.1968  0.0041 -4.5271 3 1201.2577185  58516 30392 389      91 488        C-13-H3C-13-H2C-13-N
  769302.2111  0.0041 -3.4039 3 1201.2577185  58516 30392 489      91 488        C-13-H3C-13-H2C-13-N
  769303.3903  0.0041 -3.4039 3 1201.2575185  58516 30392 389      91 388        C-13-H3C-13-H2C-13-N
  769308.4047  0.0041 -4.5271 3 1201.2575185  58516 30392 489      91 388        C-13-H3C-13-H2C-13-N
  769387.9273  0.0035 -3.3765 3 1180.3957179  58516 30389 882      88 881        C-13-H3C-13-H2C-13-N
  769490.8197  0.0027 -3.7395 3  472.7556113  58516 30356 749      55 650        C-13-H3C-13-H2C-13-N
  769495.7018  0.0026 -3.4622 3 1220.2062179  58516 303891179      881178        C-13-H3C-13-H2C-13-N
  769509.4922  0.0180 -4.7000 3 1792.5306179  58516 303893059      883058        C-13-H3C-13-H2C-13-N
  769509.4922  0.0180 -4.7000 3 1792.5306179  58516 303893060      883059        C-13-H3C-13-H2C-13-N
  769659.7388  0.0027 -3.4620 3 1220.2287179  58516 303891178      881177        C-13-H3C-13-H2C-13-N
  769715.0478  0.0036 -3.3205 3 1151.7315177  58516 30388 781      87 780        C-13-H3C-13-H2C-13-N
  769789.5125  0.0147 -4.9503 3  216.6281 81  58516 30340 238      39 139        C-13-H3C-13-H2C-13-N
  769817.4276  0.0147 -5.6615 3  216.6272 81  58516 30340 238      39 039        C-13-H3C-13-H2C-13-N
  769903.2978  0.0237 -4.7956 3 1836.8141179  58516 303893158      883157        C-13-H3C-13-H2C-13-N
  769903.2978  0.0237 -4.7956 3 1836.8141179  58516 303893159      883158        C-13-H3C-13-H2C-13-N
  770033.2584  0.0056 -5.6206 3  687.2674133  58516 303661057      66 858        C-13-H3C-13-H2C-13-N
  770185.6954  0.1228 -5.2303 3  783.7861 87  58516 303432716      442619        C-13-H3C-13-H2C-13-N
  770185.6954  0.1228 -5.2303 3  783.7861 87  58516 303432717      442618        C-13-H3C-13-H2C-13-N
  770314.7013  0.0312 -4.8941 3 1882.4339179  58516 303893257      883256        C-13-H3C-13-H2C-13-N
  770314.7013  0.0312 -4.8941 3 1882.4339179  58516 303893258      883257        C-13-H3C-13-H2C-13-N
  770359.9876  0.0039 -5.0373 3  254.3589 85  58516 30342 538      41 339        C-13-H3C-13-H2C-13-N
  770429.5418  0.0035 -4.8339 3  356.0040 99  58516 30349 643      48 444        C-13-H3C-13-H2C-13-N
  770592.2413  0.0017 -3.2025 3  246.2383 71  58516 303351125      341024        C-13-H3C-13-H2C-13-N
  770592.2414  0.0017 -3.2025 3  246.2383 71  58516 303351124      341025        C-13-H3C-13-H2C-13-N
  770672.7744  0.0029 -3.4290 3 1205.4758179  58516 303891080      881079        C-13-H3C-13-H2C-13-N
  770680.6189  0.0050 -3.9316 3  464.4047113  58516 30356 650      55 551        C-13-H3C-13-H2C-13-N
  770742.9291  0.0408 -4.9955 3 1929.3790179  58516 303893356      883355        C-13-H3C-13-H2C-13-N
  770742.9291  0.0408 -4.9955 3 1929.3790179  58516 303893357      883356        C-13-H3C-13-H2C-13-N
  770874.1983  0.0031 -5.0508 3  215.3628 77  58516 30338 633      37 434        C-13-H3C-13-H2C-13-N
  770949.0444  0.0051 -4.4885 3 1209.6551187  58516 30393 291      92 390        C-13-H3C-13-H2C-13-N
  770949.1931  0.0051 -3.4144 3 1209.6551187  58516 30393 391      92 390        C-13-H3C-13-H2C-13-N
  770949.2306  0.0051 -3.4144 3 1209.6551187  58516 30393 291      92 290        C-13-H3C-13-H2C-13-N
  770949.3793  0.0051 -4.4885 3 1209.6551187  58516 30393 391      92 290        C-13-H3C-13-H2C-13-N
  771182.3336  0.0033 -3.4003 3 1192.4009179  58516 30389 981      88 980        C-13-H3C-13-H2C-13-N
  771187.2924  0.0529 -5.0998 3 1977.6384179  58516 303893455      883454        C-13-H3C-13-H2C-13-N
  771187.2924  0.0529 -5.0998 3 1977.6384179  58516 303893456      883455        C-13-H3C-13-H2C-13-N
  771547.5243  0.0018 -3.1439 3  215.6353 61  58516 303301218      291119        C-13-H3C-13-H2C-13-N
  771547.5243  0.0018 -3.1439 3  215.6353 61  58516 303301219      291118        C-13-H3C-13-H2C-13-N
  771558.6995  0.0065 -5.6625 3  726.2130137  58516 303681058      68 861        C-13-H3C-13-H2C-13-N
  771639.3089  0.0170 -5.5502 3  684.8715137  58516 30368 662      68 365        C-13-H3C-13-H2C-13-N
  771647.1720  0.0680 -5.2070 3 2027.2010179  58516 303893554      883553        C-13-H3C-13-H2C-13-N
  771647.1720  0.0680 -5.2070 3 2027.2010179  58516 303893555      883554        C-13-H3C-13-H2C-13-N
  771790.4617  0.0812 -5.1977 3  685.8615 77  58516 303382612      392515        C-13-H3C-13-H2C-13-N
  771790.4617  0.0812 -5.1977 3  685.8615 77  58516 303382613      392514        C-13-H3C-13-H2C-13-N
  771803.5568  0.0066 -4.3215 3  330.2594 97  58516 30348 444      47 345        C-13-H3C-13-H2C-13-N
  771908.1092  0.0033 -3.4281 3 1205.6767179  58516 303891079      881078        C-13-H3C-13-H2C-13-N
  772121.2858  0.0020 -3.1018 3  193.7201 51  58516 303251312      241213        C-13-H3C-13-H2C-13-N
  772121.2858  0.0020 -3.1018 3  193.7201 51  58516 303251313      241212        C-13-H3C-13-H2C-13-N
  772122.0069  0.0867 -5.3170 3 2078.0555179  58516 303893653      883652        C-13-H3C-13-H2C-13-N
  772122.0069  0.0867 -5.3170 3 2078.0555179  58516 303893654      883653        C-13-H3C-13-H2C-13-N
  772273.4878  0.0039 -4.3962 3  263.6223 37  58516 3031818 0      1817 1        C-13-H3C-13-H2C-13-N
  772273.4878  0.0039 -4.3962 3  263.6223 37  58516 3031818 1      1817 2        C-13-H3C-13-H2C-13-N
  772329.8108  0.0038 -4.1174 3  269.1175 39  58516 3031918 1      1917 2        C-13-H3C-13-H2C-13-N
  772329.8108  0.0038 -4.1174 3  269.1175 39  58516 3031918 2      1917 3        C-13-H3C-13-H2C-13-N
  772388.7255  0.0037 -3.9633 3  274.9016 41  58516 3032018 2      2017 3        C-13-H3C-13-H2C-13-N
  772388.7255  0.0037 -3.9633 3  274.9016 41  58516 3032018 3      2017 4        C-13-H3C-13-H2C-13-N
  772429.4373  0.0023 -3.0716 3  180.4775 41  58516 3032014 6      1913 7        C-13-H3C-13-H2C-13-N
  772429.4373  0.0023 -3.0716 3  180.4775 41  58516 3032014 7      1913 6        C-13-H3C-13-H2C-13-N
  772450.1752  0.0036 -3.8602 3  280.9748 43  58516 3032118 3      2117 4        C-13-H3C-13-H2C-13-N
  772450.1752  0.0036 -3.8602 3  280.9748 43  58516 3032118 4      2117 5        C-13-H3C-13-H2C-13-N
  772514.1005  0.0035 -3.7851 3  287.3369 45  58516 3032218 4      2217 5        C-13-H3C-13-H2C-13-N
  772514.1005  0.0035 -3.7851 3  287.3369 45  58516 3032218 5      2217 6        C-13-H3C-13-H2C-13-N
  772525.8527  0.0028 -3.0452 3  175.9010 31  58516 3031515 0      1414 1        C-13-H3C-13-H2C-13-N
  772525.8527  0.0028 -3.0452 3  175.9010 31  58516 3031515 1      1414 0        C-13-H3C-13-H2C-13-N
  772580.4394  0.0034 -3.7277 3  293.9880 47  58516 3032318 5      2317 6        C-13-H3C-13-H2C-13-N
  772580.4394  0.0034 -3.7277 3  293.9880 47  58516 3032318 6      2317 7        C-13-H3C-13-H2C-13-N
  772611.2850  0.1097 -5.4299 3 2130.1906179  58516 303893752      883751        C-13-H3C-13-H2C-13-N
  772611.2850  0.1097 -5.4299 3 2130.1906179  58516 303893753      883752        C-13-H3C-13-H2C-13-N
  772634.8332  0.0053 -5.5980 3  668.1170131  58516 303651056      65 857        C-13-H3C-13-H2C-13-N
  772643.5504  0.0062 -4.4551 3 1216.9457189  58516 30394 193      93 292        C-13-H3C-13-H2C-13-N
  772643.5530  0.0062 -3.4225 3 1216.9457189  58516 30394 293      93 292        C-13-H3C-13-H2C-13-N
  772643.5537  0.0062 -3.4225 3 1216.9457189  58516 30394 193      93 192        C-13-H3C-13-H2C-13-N
  772643.5563  0.0062 -4.4551 3 1216.9457189  58516 30394 293      93 192        C-13-H3C-13-H2C-13-N
  772649.1272  0.0033 -3.6826 3  300.9279 49  58516 3032418 6      2417 7        C-13-H3C-13-H2C-13-N
  772649.1272  0.0033 -3.6826 3  300.9279 49  58516 3032418 7      2417 8        C-13-H3C-13-H2C-13-N
  772720.0964  0.0033 -3.6466 3  308.1568 51  58516 3032518 7      2517 8        C-13-H3C-13-H2C-13-N
  772720.0964  0.0033 -3.6466 3  308.1568 51  58516 3032518 8      2517 9        C-13-H3C-13-H2C-13-N
  772743.4462  0.0032 -3.3956 3 1193.8831181  58516 30390 784      89 783        C-13-H3C-13-H2C-13-N
  772784.5777  0.0062 -5.3333 3  420.1380105  58516 30352 844      52 547        C-13-H3C-13-H2C-13-N
  772793.2773  0.0032 -3.6176 3  315.6744 53  58516 3032618 8      2617 9        C-13-H3C-13-H2C-13-N
  772793.2773  0.0032 -3.6176 3  315.6744 53  58516 3032618 9      261710        C-13-H3C-13-H2C-13-N
  772868.5973  0.0031 -3.5941 3  323.4809 55  58516 3032718 9      271710        C-13-H3C-13-H2C-13-N
  772868.5973  0.0031 -3.5941 3  323.4809 55  58516 303271810      271711        C-13-H3C-13-H2C-13-N
  772945.9814  0.0031 -3.5753 3  331.5761 57  58516 303281810      281711        C-13-H3C-13-H2C-13-N
  772945.9814  0.0031 -3.5753 3  331.5761 57  58516 303281811      281712        C-13-H3C-13-H2C-13-N
  772951.0335  0.0033 -4.6731 3 1206.2840183  58516 30391 586      90 685        C-13-H3C-13-H2C-13-N
  773025.3519  0.0030 -3.5603 3  339.9601 59  58516 303291811      291712        C-13-H3C-13-H2C-13-N
  773025.3519  0.0030 -3.5603 3  339.9601 59  58516 303291812      291713        C-13-H3C-13-H2C-13-N
  773074.2476  0.0045 -3.3324 3 1159.1061177  58516 30388 880      87 879        C-13-H3C-13-H2C-13-N
  773106.6290  0.0030 -3.5487 3  348.6327 61  58516 303301812      301713        C-13-H3C-13-H2C-13-N
  773106.6290  0.0030 -3.5487 3  348.6327 61  58516 303301813      301714        C-13-H3C-13-H2C-13-N
  773114.5354  0.1379 -5.5456 3 2183.5949179  58516 303893851      883850        C-13-H3C-13-H2C-13-N
  773114.5354  0.1379 -5.5456 3 2183.5949179  58516 303893852      883851        C-13-H3C-13-H2C-13-N
  773189.7299  0.0029 -3.5399 3  357.5939 63  58516 303311813      311714        C-13-H3C-13-H2C-13-N
  773189.7299  0.0029 -3.5399 3  357.5939 63  58516 303311814      311715        C-13-H3C-13-H2C-13-N
  773233.5770  0.3563 -5.6078 3 1112.2922115  58516 303573027      582930        C-13-H3C-13-H2C-13-N
  773233.5770  0.3563 -5.6078 3 1112.2922115  58516 303573028      582929        C-13-H3C-13-H2C-13-N
  773274.5697  0.0029 -3.5337 3  366.8437 65  58516 303321814      321715        C-13-H3C-13-H2C-13-N
  773274.5697  0.0029 -3.5337 3  366.8437 65  58516 303321815      321716        C-13-H3C-13-H2C-13-N
  773278.6721  0.0061 -5.6388 3  706.5134135  58516 303671057      67 860        C-13-H3C-13-H2C-13-N
  773299.0397  0.0517 -5.2563 3  596.5860 67  58516 3033325 8      342411        C-13-H3C-13-H2C-13-N
  773299.0397  0.0517 -5.2563 3  596.5860 67  58516 3033325 9      342410        C-13-H3C-13-H2C-13-N
  773361.0610  0.0029 -3.5298 3  376.3821 67  58516 303331815      331716        C-13-H3C-13-H2C-13-N
  773361.0610  0.0029 -3.5298 3  376.3821 67  58516 303331816      331717        C-13-H3C-13-H2C-13-N
  773449.1141  0.0028 -3.5279 3  386.2090 69  58516 303341816      341717        C-13-H3C-13-H2C-13-N
  773449.1141  0.0028 -3.5279 3  386.2090 69  58516 303341817      341718        C-13-H3C-13-H2C-13-N
  773538.6366  0.0028 -3.5279 3  396.3243 71  58516 303351817      351718        C-13-H3C-13-H2C-13-N
  773538.6366  0.0028 -3.5279 3  396.3243 71  58516 303351818      351719        C-13-H3C-13-H2C-13-N
  773629.5341  0.0028 -3.5297 3  406.7280 73  58516 303361818      361719        C-13-H3C-13-H2C-13-N
  773629.5341  0.0028 -3.5297 3  406.7280 73  58516 303361819      361720        C-13-H3C-13-H2C-13-N
  773631.3219  0.1722 -5.6641 3 2238.2567179  58516 303893950      883949        C-13-H3C-13-H2C-13-N
  773631.3219  0.1722 -5.6641 3 2238.2567179  58516 303893951      883950        C-13-H3C-13-H2C-13-N
  773642.2385  0.0098 -4.6503 3 1117.3315175  58516 30387 781      86 680        C-13-H3C-13-H2C-13-N
  773721.7098  0.0028 -3.5331 3  417.4200 75  58516 303371819      371720        C-13-H3C-13-H2C-13-N
  773721.7098  0.0028 -3.5331 3  417.4200 75  58516 303371820      371721        C-13-H3C-13-H2C-13-N
  773815.0646  0.0028 -3.5381 3  428.4003 77  58516 303381820      381721        C-13-H3C-13-H2C-13-N
  773815.0646  0.0028 -3.5381 3  428.4003 77  58516 303381821      381722        C-13-H3C-13-H2C-13-N
  773909.4970  0.0028 -3.5444 3  439.6689 79  58516 303391821      391722        C-13-H3C-13-H2C-13-N
  773909.4970  0.0028 -3.5444 3  439.6689 79  58516 303391822      391723        C-13-H3C-13-H2C-13-N
  774004.9035  0.0028 -3.5521 3  451.2256 81  58516 303401822      401723        C-13-H3C-13-H2C-13-N
  774004.9035  0.0028 -3.5521 3  451.2256 81  58516 303401823      401724        C-13-H3C-13-H2C-13-N
  774101.1783  0.0028 -3.5611 3  463.0704 83  58516 303411823      411724        C-13-H3C-13-H2C-13-N
  774101.1783  0.0028 -3.5611 3  463.0704 83  58516 303411824      411725        C-13-H3C-13-H2C-13-N
  774198.2133  0.0028 -3.5712 3  475.2033 85  58516 303421824      421725        C-13-H3C-13-H2C-13-N
  774198.2133  0.0028 -3.5712 3  475.2033 85  58516 303421825      421726        C-13-H3C-13-H2C-13-N
  774295.8984  0.0028 -3.5826 3  487.6242 87  58516 303431825      431726        C-13-H3C-13-H2C-13-N
  774295.8984  0.0028 -3.5826 3  487.6242 87  58516 303431826      431727        C-13-H3C-13-H2C-13-N
  774297.4865  0.0065 -5.2991 3  440.2515109  58516 30354 748      54 451        C-13-H3C-13-H2C-13-N
  774347.4860  0.0094 -3.4285 3 1223.1974191  58516 30395 095      94 094        C-13-H3C-13-H2C-13-N
  774347.4860  0.0094 -4.4250 3 1223.1974191  58516 30395 095      94 194        C-13-H3C-13-H2C-13-N
  774347.4860  0.0094 -4.4250 3 1223.1974191  58516 30395 195      94 094        C-13-H3C-13-H2C-13-N
  774347.4860  0.0094 -3.4285 3 1223.1974191  58516 30395 195      94 194        C-13-H3C-13-H2C-13-N
  774351.7545  0.0033 -3.4145 3 1206.2840183  58516 30391 686      90 685        C-13-H3C-13-H2C-13-N
  774377.6301  0.0152 -5.6173 3  545.3735123  58516 30361 556      61 259        C-13-H3C-13-H2C-13-N
  774394.1213  0.0028 -3.5951 3  500.3330 89  58516 303441826      441727        C-13-H3C-13-H2C-13-N
  774394.1213  0.0028 -3.5951 3  500.3330 89  58516 303441827      441728        C-13-H3C-13-H2C-13-N
  774492.7678  0.0028 -3.6086 3  513.3296 91  58516 303451827      451728        C-13-H3C-13-H2C-13-N
  774492.7678  0.0028 -3.6086 3  513.3296 91  58516 303451828      451729        C-13-H3C-13-H2C-13-N
  774497.5193  0.0017 -3.3980 3  346.6912 93  58516 30346 938      45 837        C-13-H3C-13-H2C-13-N
  774514.9402  0.0017 -3.3980 3  346.6906 93  58516 30346 937      45 838        C-13-H3C-13-H2C-13-N
  774591.7213  0.0028 -3.6233 3  526.6141 93  58516 303461828      461729        C-13-H3C-13-H2C-13-N
  774591.7213  0.0028 -3.6233 3  526.6141 93  58516 303461829      461730        C-13-H3C-13-H2C-13-N
  774620.8614  0.0034 -3.4141 3 1206.2283183  58516 30391 586      90 585        C-13-H3C-13-H2C-13-N
  774690.8634  0.0029 -3.6389 3  540.1863 95  58516 303471829      471730        C-13-H3C-13-H2C-13-N
  774690.8634  0.0029 -3.6389 3  540.1863 95  58516 303471830      471731        C-13-H3C-13-H2C-13-N
  774702.1372  0.0314 -5.4948 3  515.9652 57  58516 3032824 4      2923 7        C-13-H3C-13-H2C-13-N
  774702.1372  0.0314 -5.4948 3  515.9652 57  58516 3032824 5      2923 6        C-13-H3C-13-H2C-13-N
  774790.0736  0.0029 -3.6555 3  554.0461 97  58516 303481830      481731        C-13-H3C-13-H2C-13-N
  774790.0736  0.0029 -3.6555 3  554.0461 97  58516 303481831      481732        C-13-H3C-13-H2C-13-N
  774889.2295  0.0029 -3.6731 3  568.1936 99  58516 303491831      491732        C-13-H3C-13-H2C-13-N
  774889.2295  0.0029 -3.6731 3  568.1936 99  58516 303491832      491733        C-13-H3C-13-H2C-13-N
  774896.1854  0.0064 -5.0242 3  330.1562 97  58516 30348 444      47 245        C-13-H3C-13-H2C-13-N
  774968.5319  0.0057 -5.6160 3  687.1040133  58516 303661056      66 859        C-13-H3C-13-H2C-13-N
  774983.0897  0.0033 -3.3919 3 1193.3350181  58516 30390 684      89 683        C-13-H3C-13-H2C-13-N
  774988.2065  0.0029 -3.6916 3  582.6285101  58516 303501832      501733        C-13-H3C-13-H2C-13-N
  774988.2065  0.0029 -3.6916 3  582.6285101  58516 303501833      501734        C-13-H3C-13-H2C-13-N
  775007.9386  0.0035 -4.8198 3  370.4250101  58516 30350 644      49 445        C-13-H3C-13-H2C-13-N
  775025.6649  0.0050 -5.5765 3  649.2627129  58516 303641055      64 856        C-13-H3C-13-H2C-13-N
  775086.8782  0.0029 -3.7110 3  597.3509103  58516 303511833      511734        C-13-H3C-13-H2C-13-N
  775086.8782  0.0029 -3.7110 3  597.3509103  58516 303511834      511735        C-13-H3C-13-H2C-13-N
  775113.0529  0.2560 -5.4429 3  989.9086105  58516 303522923      532826        C-13-H3C-13-H2C-13-N
  775113.0529  0.2560 -5.4429 3  989.9086105  58516 303522924      532825        C-13-H3C-13-H2C-13-N
  775185.1165  0.0029 -3.7313 3  612.3607105  58516 303521834      521735        C-13-H3C-13-H2C-13-N
  775185.1165  0.0029 -3.7313 3  612.3607105  58516 303521835      521736        C-13-H3C-13-H2C-13-N
  775191.6290  0.0034 -3.8259 3 1394.8351181  58516 303901872      891871        C-13-H3C-13-H2C-13-N
  775191.6290  0.0034 -3.8259 3 1394.8351181  58516 303901873      891872        C-13-H3C-13-H2C-13-N
  775222.1954  0.0033 -3.7699 3 1368.9111181  58516 303901773      891772        C-13-H3C-13-H2C-13-N
  775222.1954  0.0033 -3.7699 3 1368.9111181  58516 303901774      891773        C-13-H3C-13-H2C-13-N
  775224.0919  0.0036 -3.8850 3 1422.2440181  58516 303901971      891970        C-13-H3C-13-H2C-13-N
  775224.0919  0.0036 -3.8850 3 1422.2440181  58516 303901972      891971        C-13-H3C-13-H2C-13-N
  775282.7910  0.0030 -3.7525 3  627.6577107  58516 303531835      531736        C-13-H3C-13-H2C-13-N
  775282.7910  0.0030 -3.7525 3  627.6577107  58516 303531836      531737        C-13-H3C-13-H2C-13-N
  775309.4592  0.0039 -3.9473 3 1451.1234181  58516 303902070      892069        C-13-H3C-13-H2C-13-N
  775309.4592  0.0039 -3.9473 3 1451.1234181  58516 303902071      892070        C-13-H3C-13-H2C-13-N
  775329.6101  0.0031 -3.7171 3 1344.4888181  58516 303901675      891674        C-13-H3C-13-H2C-13-N
  775329.6103  0.0031 -3.7171 3 1344.4888181  58516 303901674      891673        C-13-H3C-13-H2C-13-N
  775354.9157  0.0031 -5.3534 3  127.8932 57  58516 30328 721      27 522        C-13-H3C-13-H2C-13-N
  775359.5599  0.0019 -3.5596 3  420.0471105  58516 30352 845      51 744        C-13-H3C-13-H2C-13-N
  775379.7698  0.0030 -3.7746 3  643.2420109  58516 303541836      541737        C-13-H3C-13-H2C-13-N
  775379.7698  0.0030 -3.7746 3  643.2420109  58516 303541837      541738        C-13-H3C-13-H2C-13-N
  775440.1268  0.0041 -4.0127 3 1481.4601181  58516 303902169      892168        C-13-H3C-13-H2C-13-N
  775440.1268  0.0041 -4.0127 3 1481.4601181  58516 303902170      892169        C-13-H3C-13-H2C-13-N
  775475.9188  0.0030 -3.7975 3  659.1134111  58516 303551837      551738        C-13-H3C-13-H2C-13-N
  775475.9188  0.0030 -3.7975 3  659.1134111  58516 303551838      551739        C-13-H3C-13-H2C-13-N
  775533.3135  0.0030 -3.6675 3 1321.5884181  58516 303901576      891575        C-13-H3C-13-H2C-13-N
  775533.3196  0.0030 -3.6675 3 1321.5884181  58516 303901575      891574        C-13-H3C-13-H2C-13-N
  775571.1023  0.0031 -3.8212 3  675.2718113  58516 303561838      561739        C-13-H3C-13-H2C-13-N
  775571.1023  0.0031 -3.8212 3  675.2718113  58516 303561839      561740        C-13-H3C-13-H2C-13-N
  775610.2623  0.0045 -4.0811 3 1513.2420181  58516 303902268      892267        C-13-H3C-13-H2C-13-N
  775610.2623  0.0045 -4.0811 3 1513.2420181  58516 303902269      892268        C-13-H3C-13-H2C-13-N
  775623.0077  0.0031 -5.3532 3  127.8843 57  58516 30328 722      27 523        C-13-H3C-13-H2C-13-N
  775659.2075  0.0037 -4.6111 3 1217.2666185  58516 30392 488      91 587        C-13-H3C-13-H2C-13-N
  775665.1829  0.0031 -3.8458 3  691.7172115  58516 303571839      571740        C-13-H3C-13-H2C-13-N
  775665.1829  0.0031 -3.8458 3  691.7172115  58516 303571840      571741        C-13-H3C-13-H2C-13-N
  775750.6382  0.0037 -3.4307 3 1217.2666185  58516 30392 588      91 587        C-13-H3C-13-H2C-13-N
  775758.0210  0.0031 -3.8711 3  708.4495117  58516 303581840      581741        C-13-H3C-13-H2C-13-N
  775758.0210  0.0031 -3.8711 3  708.4495117  58516 303581841      581742        C-13-H3C-13-H2C-13-N
  775770.3886  0.0037 -3.4307 3 1217.2629185  58516 30392 488      91 487        C-13-H3C-13-H2C-13-N
  775815.3103  0.0049 -4.1526 3 1546.4576181  58516 303902367      892366        C-13-H3C-13-H2C-13-N
  775815.3103  0.0049 -4.1526 3 1546.4576181  58516 303902368      892367        C-13-H3C-13-H2C-13-N
  775849.4758  0.0032 -3.8973 3  725.4686119  58516 303591841      591742        C-13-H3C-13-H2C-13-N
  775849.4758  0.0032 -3.8973 3  725.4686119  58516 303591842      591743        C-13-H3C-13-H2C-13-N
  775861.6942  0.0028 -3.6210 3 1300.2352181  58516 303901477      891476        C-13-H3C-13-H2C-13-N
  775861.8039  0.0028 -3.6210 3 1300.2352181  58516 303901476      891475        C-13-H3C-13-H2C-13-N
  775861.8193  0.0038 -4.6109 3 1217.2629185  58516 30392 588      91 487        C-13-H3C-13-H2C-13-N
  775939.4042  0.0032 -3.9243 3  742.7744121  58516 303601842      601743        C-13-H3C-13-H2C-13-N
  775939.4042  0.0032 -3.9243 3  742.7744121  58516 303601843      601744        C-13-H3C-13-H2C-13-N
  776021.5825  0.0036 -4.6695 3 1206.2283183  58516 30391 686      90 585        C-13-H3C-13-H2C-13-N
  776027.6616  0.0033 -3.9520 3  760.3669123  58516 303611843      611744        C-13-H3C-13-H2C-13-N
  776027.6616  0.0033 -3.9520 3  760.3669123  58516 303611844      611745        C-13-H3C-13-H2C-13-N
  776051.6548  0.0055 -4.2272 3 1581.0957181  58516 303902466      892465        C-13-H3C-13-H2C-13-N
  776051.6548  0.0055 -4.2272 3 1581.0957181  58516 303902467      892466        C-13-H3C-13-H2C-13-N
  776088.9817  0.0057 -4.8329 3  394.2504105  58516 30352 547      51 348        C-13-H3C-13-H2C-13-N
  776092.2055  0.0165 -5.4485 3  836.5670149  58516 30374 965      74 668        C-13-H3C-13-H2C-13-N
  776114.1019  0.0033 -3.9805 3  778.2458125  58516 303621844      621745        C-13-H3C-13-H2C-13-N
  776114.1019  0.0033 -3.9805 3  778.2458125  58516 303621845      621746        C-13-H3C-13-H2C-13-N
  776198.5769  0.0034 -4.0098 3  796.4112127  58516 303631845      631746        C-13-H3C-13-H2C-13-N
  776198.5769  0.0034 -4.0098 3  796.4112127  58516 303631846      631747        C-13-H3C-13-H2C-13-N
  776280.9370  0.0034 -4.0399 3  814.8629129  58516 303641846      641747        C-13-H3C-13-H2C-13-N
  776280.9370  0.0034 -4.0399 3  814.8629129  58516 303641847      641748        C-13-H3C-13-H2C-13-N
  776316.3827  0.0062 -4.3049 3 1617.1457181  58516 303902565      892564        C-13-H3C-13-H2C-13-N
  776316.3827  0.0062 -4.3049 3 1617.1457181  58516 303902566      892565        C-13-H3C-13-H2C-13-N
  776322.0590  0.0149 -5.6430 3 1697.8771203  58516 303A11883      A11784        C-13-H3C-13-H2C-13-N
  776322.0605  0.0149 -5.6430 3 1697.8771203  58516 303A11884      A11785        C-13-H3C-13-H2C-13-N
  776357.8900  0.0027 -3.5778 3 1280.4632181  58516 303901378      891377        C-13-H3C-13-H2C-13-N
  776359.5390  0.0027 -3.5778 3 1280.4634181  58516 303901377      891376        C-13-H3C-13-H2C-13-N
  776361.0308  0.0035 -4.0707 3  833.6009131  58516 303651847      651748        C-13-H3C-13-H2C-13-N
  776361.0308  0.0035 -4.0707 3  833.6009131  58516 303651848      651749        C-13-H3C-13-H2C-13-N
  776438.4511  0.0145 -5.5877 3 1668.9107201  58516 303A01882      A01783        C-13-H3C-13-H2C-13-N
  776438.4522  0.0145 -5.5877 3 1668.9107201  58516 303A01883      A01784        C-13-H3C-13-H2C-13-N
  776438.7053  0.0036 -4.1022 3  852.6250133  58516 303661848      661749        C-13-H3C-13-H2C-13-N
  776438.7053  0.0036 -4.1022 3  852.6250133  58516 303661849      661750        C-13-H3C-13-H2C-13-N
  776473.4564  0.0208 -5.1452 3 1338.4909191  58516 30395 788      94 887        C-13-H3C-13-H2C-13-N
  776513.8057  0.0036 -4.1345 3  871.9352135  58516 303671849      671750        C-13-H3C-13-H2C-13-N
  776513.8057  0.0036 -4.1345 3  871.9352135  58516 303671850      671751        C-13-H3C-13-H2C-13-N
  776545.9883  0.0142 -5.5331 3 1640.2260199  58516 303991881      991782        C-13-H3C-13-H2C-13-N
  776545.9890  0.0142 -5.5331 3 1640.2260199  58516 303991882      991783        C-13-H3C-13-H2C-13-N
  776586.1758  0.0037 -4.1675 3  891.5313137  58516 303681850      681751        C-13-H3C-13-H2C-13-N
  776586.1758  0.0037 -4.1675 3  891.5313137  58516 303681851      681752        C-13-H3C-13-H2C-13-N
  776607.1156  0.0073 -4.3855 3 1654.5967181  58516 303902664      892663        C-13-H3C-13-H2C-13-N
  776607.1156  0.0073 -4.3855 3 1654.5967181  58516 303902665      892664        C-13-H3C-13-H2C-13-N
  776620.3550  0.0053 -5.5943 3  667.9850131  58516 303651055      65 858        C-13-H3C-13-H2C-13-N
  776644.8880  0.0138 -5.4790 3 1611.8234197  58516 303981880      981781        C-13-H3C-13-H2C-13-N
  776644.8886  0.0138 -5.4790 3 1611.8234197  58516 303981881      981782        C-13-H3C-13-H2C-13-N
  776655.6576  0.0038 -4.2012 3  911.4133139  58516 303691851      691752        C-13-H3C-13-H2C-13-N
  776655.6576  0.0038 -4.2012 3  911.4133139  58516 303691852      691753        C-13-H3C-13-H2C-13-N
  776660.6146  0.0057 -5.4374 3  127.1950 61  58516 30330 525      29 228        C-13-H3C-13-H2C-13-N
  776722.0915  0.0039 -4.2356 3  931.5810141  58516 303701852      701753        C-13-H3C-13-H2C-13-N
  776722.0915  0.0039 -4.2356 3  931.5810141  58516 303701853      701754        C-13-H3C-13-H2C-13-N
  776735.3655  0.0134 -5.4257 3 1583.7028195  58516 303971879      971780        C-13-H3C-13-H2C-13-N
  776735.3659  0.0134 -5.4257 3 1583.7028195  58516 303971880      971781        C-13-H3C-13-H2C-13-N
  776785.3162  0.0041 -4.2708 3  952.0344143  58516 303711853      711754        C-13-H3C-13-H2C-13-N
  776785.3162  0.0041 -4.2708 3  952.0344143  58516 303711854      711755        C-13-H3C-13-H2C-13-N
  776817.6334  0.0130 -5.3730 3 1555.8645193  58516 303961878      961779        C-13-H3C-13-H2C-13-N
  776817.6337  0.0130 -5.3730 3 1555.8645193  58516 303961879      961780        C-13-H3C-13-H2C-13-N
  776845.1689  0.0042 -4.3067 3  972.7733145  58516 303721854      721755        C-13-H3C-13-H2C-13-N
  776845.1689  0.0042 -4.3067 3  972.7733145  58516 303721855      721756        C-13-H3C-13-H2C-13-N
  776891.9020  0.0126 -5.3209 3 1528.3086191  58516 303951877      951778        C-13-H3C-13-H2C-13-N
  776891.9022  0.0126 -5.3209 3 1528.3086191  58516 303951878      951779        C-13-H3C-13-H2C-13-N
  776901.4852  0.0044 -4.3433 3  993.7976147  58516 303731855      731756        C-13-H3C-13-H2C-13-N
  776901.4852  0.0044 -4.3433 3  993.7976147  58516 303731856      731757        C-13-H3C-13-H2C-13-N
  776921.8864  0.0090 -4.4692 3 1693.4381181  58516 303902763      892762        C-13-H3C-13-H2C-13-N
  776921.8864  0.0090 -4.4692 3 1693.4381181  58516 303902764      892763        C-13-H3C-13-H2C-13-N
  776921.8981  0.1798 -5.3157 3  876.1532 95  58516 303472819      482722        C-13-H3C-13-H2C-13-N
  776921.8981  0.1798 -5.3157 3  876.1532 95  58516 303472820      482721        C-13-H3C-13-H2C-13-N
  776954.0989  0.0045 -4.3806 3 1015.1072149  58516 303741856      741757        C-13-H3C-13-H2C-13-N
  776954.0989  0.0045 -4.3806 3 1015.1072149  58516 303741857      741758        C-13-H3C-13-H2C-13-N
  776958.3794  0.0121 -5.2695 3 1501.0352189  58516 303941876      941777        C-13-H3C-13-H2C-13-N
  776958.3796  0.0121 -5.2695 3 1501.0352189  58516 303941877      941778        C-13-H3C-13-H2C-13-N
  776988.9127  0.0048 -3.3963 3 1193.6555179  58516 30389 980      88 979        C-13-H3C-13-H2C-13-N
  777002.8424  0.0047 -4.4186 3 1036.7021151  58516 303751857      751758        C-13-H3C-13-H2C-13-N
  777002.8424  0.0047 -4.4186 3 1036.7021151  58516 303751858      751759        C-13-H3C-13-H2C-13-N
  777017.2715  0.0116 -5.2187 3 1474.0444187  58516 303931875      931776        C-13-H3C-13-H2C-13-N
  777017.2716  0.0116 -5.2187 3 1474.0444187  58516 303931876      931777        C-13-H3C-13-H2C-13-N
  777027.4613  0.0019 -3.5582 3  419.9964105  58516 30352 844      51 745        C-13-H3C-13-H2C-13-N
  777047.5462  0.0049 -4.4572 3 1058.5820153  58516 303761858      761759        C-13-H3C-13-H2C-13-N
  777047.5462  0.0049 -4.4572 3 1058.5820153  58516 303761859      761760        C-13-H3C-13-H2C-13-N
  777068.7818  0.0112 -5.1686 3 1447.3365185  58516 303921874      921775        C-13-H3C-13-H2C-13-N
  777068.7819  0.0112 -5.1686 3 1447.3365185  58516 303921875      921776        C-13-H3C-13-H2C-13-N
  777086.8217  0.0026 -3.5379 3 1262.3203181  58516 303901279      891278        C-13-H3C-13-H2C-13-N
  777088.0395  0.0052 -4.4966 3 1080.7470155  58516 303771859      771760        C-13-H3C-13-H2C-13-N
  777088.0395  0.0052 -4.4966 3 1080.7470155  58516 303771860      771761        C-13-H3C-13-H2C-13-N
  777107.2095  0.0026 -3.5379 3 1262.3229181  58516 303901278      891277        C-13-H3C-13-H2C-13-N
  777113.1120  0.0107 -5.1191 3 1420.9116183  58516 303911873      911774        C-13-H3C-13-H2C-13-N
  777113.1120  0.0107 -5.1191 3 1420.9116183  58516 303911874      911775        C-13-H3C-13-H2C-13-N
  777124.1496  0.0054 -4.5367 3 1103.1968157  58516 303781860      781761        C-13-H3C-13-H2C-13-N
  777124.1496  0.0054 -4.5367 3 1103.1968157  58516 303781861      781762        C-13-H3C-13-H2C-13-N
  777150.4615  0.0102 -5.0703 3 1394.7697181  58516 303901872      901773        C-13-H3C-13-H2C-13-N
  777150.4615  0.0102 -5.0703 3 1394.7697181  58516 303901873      901774        C-13-H3C-13-H2C-13-N
  777155.7023  0.0057 -4.5774 3 1125.9313159  58516 303791861      791762        C-13-H3C-13-H2C-13-N
  777155.7023  0.0057 -4.5774 3 1125.9313159  58516 303791862      791763        C-13-H3C-13-H2C-13-N
  777181.0279  0.0097 -5.0222 3 1368.9111179  58516 303891871      891772        C-13-H3C-13-H2C-13-N
  777181.0279  0.0097 -5.0222 3 1368.9111179  58516 303891872      891773        C-13-H3C-13-H2C-13-N
  777182.5216  0.0060 -4.6189 3 1148.9505161  58516 303801862      801763        C-13-H3C-13-H2C-13-N
  777182.5216  0.0060 -4.6189 3 1148.9505161  58516 303801863      801764        C-13-H3C-13-H2C-13-N
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  777204.4300  0.0063 -4.6610 3 1172.2542163  58516 303811864      811765        C-13-H3C-13-H2C-13-N
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  777205.0066  0.0092 -4.9747 3 1343.3358177  58516 303881871      881772        C-13-H3C-13-H2C-13-N
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  777221.2482  0.0067 -4.7038 3 1195.8422165  58516 303821865      821766        C-13-H3C-13-H2C-13-N
  777222.5912  0.0088 -4.9279 3 1318.0441175  58516 303871869      871770        C-13-H3C-13-H2C-13-N
  777222.5912  0.0088 -4.9279 3 1318.0441175  58516 303871870      871771        C-13-H3C-13-H2C-13-N
  777225.8223  0.0047 -5.5562 3  630.7038127  58516 303631054      63 855        C-13-H3C-13-H2C-13-N
  777232.7952  0.0071 -4.7473 3 1219.7146167  58516 303831865      831766        C-13-H3C-13-H2C-13-N
  777232.7952  0.0071 -4.7473 3 1219.7146167  58516 303831866      831767        C-13-H3C-13-H2C-13-N
  777233.9735  0.0083 -4.8817 3 1293.0359173  58516 303861868      861769        C-13-H3C-13-H2C-13-N
  777233.9735  0.0083 -4.8817 3 1293.0359173  58516 303861869      861770        C-13-H3C-13-H2C-13-N
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  777238.8884  0.0075 -4.7914 3 1243.8710169  58516 303841867      841768        C-13-H3C-13-H2C-13-N
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  777239.3432  0.0079 -4.8363 3 1268.3115171  58516 303851868      851769        C-13-H3C-13-H2C-13-N
  777259.0491  0.0114 -4.5559 3 1733.6593181  58516 303902862      892861        C-13-H3C-13-H2C-13-N
  777259.0491  0.0114 -4.5559 3 1733.6593181  58516 303902863      892862        C-13-H3C-13-H2C-13-N
  777293.2977  0.0042 -4.5653 3 1226.9189187  58516 30393 390      92 489        C-13-H3C-13-H2C-13-N
  777297.3565  0.0042 -3.4440 3 1226.9189187  58516 30393 490      92 489        C-13-H3C-13-H2C-13-N
  777298.3120  0.0042 -3.4440 3 1226.9187187  58516 30393 390      92 389        C-13-H3C-13-H2C-13-N
  777302.3709  0.0042 -4.5653 3 1226.9187187  58516 30393 490      92 389        C-13-H3C-13-H2C-13-N
  777536.4653  0.0017 -3.2908 3  297.1177 83  58516 303411032      40 931        C-13-H3C-13-H2C-13-N
  777536.5538  0.0017 -3.2908 3  297.1177 83  58516 303411031      40 932        C-13-H3C-13-H2C-13-N
  777585.9853  0.0037 -3.3606 3 1177.4064179  58516 30389 782      88 781        C-13-H3C-13-H2C-13-N
  777617.2104  0.0149 -4.6455 3 1775.2498181  58516 303902961      892960        C-13-H3C-13-H2C-13-N
  777617.2104  0.0149 -4.6455 3 1775.2498181  58516 303902962      892961        C-13-H3C-13-H2C-13-N
  777638.3273  0.0035 -3.4161 3 1206.0597181  58516 30390 883      89 882        C-13-H3C-13-H2C-13-N
  777995.1777  0.0196 -4.7381 3 1818.1987181  58516 303903060      893059        C-13-H3C-13-H2C-13-N
  777995.1777  0.0196 -4.7381 3 1818.1987181  58516 303903061      893060        C-13-H3C-13-H2C-13-N
  778113.6130  0.0027 -3.5013 3 1245.8738181  58516 303901180      891179        C-13-H3C-13-H2C-13-N
  778227.5479  0.0050 -5.5735 3  649.1566129  58516 303641054      64 857        C-13-H3C-13-H2C-13-N
  778288.4213  0.0063 -4.8411 3 1245.7031185  58516 30392 686      91 785        C-13-H3C-13-H2C-13-N
  778313.6979  0.0027 -3.5011 3 1245.9018181  58516 303901179      891178        C-13-H3C-13-H2C-13-N
  778391.9198  0.0258 -4.8336 3 1862.4953181  58516 303903159      893158        C-13-H3C-13-H2C-13-N
  778391.9198  0.0258 -4.8336 3 1862.4953181  58516 303903160      893159        C-13-H3C-13-H2C-13-N
  778482.4038  0.0093 -4.6816 3 1142.4083177  58516 30388 782      87 681        C-13-H3C-13-H2C-13-N
  778650.7100  0.1229 -5.2357 3  771.0343 85  58516 303422715      432618        C-13-H3C-13-H2C-13-N
  778650.7100  0.1229 -5.2357 3  771.0343 85  58516 303422716      432617        C-13-H3C-13-H2C-13-N
  778806.5358  0.0338 -4.9321 3 1908.1288181  58516 303903258      893257        C-13-H3C-13-H2C-13-N
  778806.5358  0.0338 -4.9321 3 1908.1288181  58516 303903259      893258        C-13-H3C-13-H2C-13-N
  778948.9586  0.0052 -4.5276 3 1235.3712189  58516 30394 292      93 391        C-13-H3C-13-H2C-13-N
  778949.0773  0.0052 -3.4546 3 1235.3712189  58516 30394 392      93 391        C-13-H3C-13-H2C-13-N
  778949.1073  0.0052 -3.4546 3 1235.3712189  58516 30394 292      93 291        C-13-H3C-13-H2C-13-N
  778949.2260  0.0052 -4.5276 3 1235.3712189  58516 30394 392      93 291        C-13-H3C-13-H2C-13-N
  779218.8638  0.0017 -3.2086 3  256.3454 73  58516 303361126      351025        C-13-H3C-13-H2C-13-N
  779218.8640  0.0017 -3.2086 3  256.3454 73  58516 303361125      351026        C-13-H3C-13-H2C-13-N
  779238.2312  0.0441 -5.0334 3 1955.0882181  58516 303903357      893356        C-13-H3C-13-H2C-13-N
  779238.2312  0.0441 -5.0334 3 1955.0882181  58516 303903358      893357        C-13-H3C-13-H2C-13-N
  779253.3738  0.0045 -5.5370 3  612.4397125  58516 303621053      62 854        C-13-H3C-13-H2C-13-N
  779292.1673  0.0030 -3.4682 3 1231.1826181  58516 303901081      891080        C-13-H3C-13-H2C-13-N
  779419.7703  0.0030 -3.7671 3  488.9904115  58516 30357 750      56 651        C-13-H3C-13-H2C-13-N
  779509.2861  0.0037 -4.4235 3  254.0538 85  58516 30342 538      41 239        C-13-H3C-13-H2C-13-N
  779679.4630  0.0034 -3.4397 3 1218.1248181  58516 30390 982      89 981        C-13-H3C-13-H2C-13-N
  779686.2983  0.0570 -5.1377 3 2003.3624181  58516 303903456      893455        C-13-H3C-13-H2C-13-N
  779686.2983  0.0570 -5.1377 3 2003.3624181  58516 303903457      893456        C-13-H3C-13-H2C-13-N
  779784.7420  0.0047 -5.5538 3  630.6189127  58516 303631053      63 856        C-13-H3C-13-H2C-13-N
  780150.1019  0.0729 -5.2448 3 2052.9403181  58516 303903555      893554        C-13-H3C-13-H2C-13-N
  780150.1019  0.0729 -5.2448 3 2052.9403181  58516 303903556      893555        C-13-H3C-13-H2C-13-N
  780184.3015  0.0032 -5.0361 3  226.3508 79  58516 30339 634      38 435        C-13-H3C-13-H2C-13-N
  780217.4020  0.0300 -3.1468 3  224.2981 63 -58516 303311219      301120        C-13-H3C-13-H2C-13-N
  780217.4020  0.0300 -3.1468 3  224.2981 63 -58516 303311220      301119        C-13-H3C-13-H2C-13-N
  780259.6684  0.0035 -4.8080 3  385.1264103  58516 30351 645      50 446        C-13-H3C-13-H2C-13-N
  780290.0272  0.0813 -5.2206 3  674.5589 75  58516 303372611      382514        C-13-H3C-13-H2C-13-N
  780290.0272  0.0813 -5.2206 3  674.5589 75  58516 303372612      382513        C-13-H3C-13-H2C-13-N
  780459.3911  0.0084 -4.5645 3  270.8686 89  58516 30344 341      43 242        C-13-H3C-13-H2C-13-N
  780490.6350  0.0495 -5.6029 3 1519.6160203  58516 303A1 893      A0 992        C-13-H3C-13-H2C-13-N
  780605.3604  0.0143 -5.6556 3  216.6281 81  58516 30340 338      39 139        C-13-H3C-13-H2C-13-N
  780629.0665  0.0927 -5.3547 3 2103.8107181  58516 303903654      893653        C-13-H3C-13-H2C-13-N
  780629.0665  0.0927 -5.3547 3 2103.8107181  58516 303903655      893654        C-13-H3C-13-H2C-13-N
  780633.2755  0.0143 -4.9448 3  216.6272 81  58516 30340 338      39 039        C-13-H3C-13-H2C-13-N
  780646.0076  0.0064 -4.4949 3 1242.7183191  58516 30395 194      94 293        C-13-H3C-13-H2C-13-N
  780646.0030  0.0300 -3.4629 3 1242.7183191 -58516 30395 294      94 293        C-13-H3C-13-H2C-13-N
  780646.0102  0.0064 -3.4629 3 1242.7183191  58516 30395 194      94 193        C-13-H3C-13-H2C-13-N
  780646.0123  0.0064 -4.4949 3 1242.7183191  58516 30395 294      94 193        C-13-H3C-13-H2C-13-N
  780746.3890  0.0300 -3.4671 3 1231.4248181 -58516 303901080      891079        C-13-H3C-13-H2C-13-N
  780780.1230  0.0300 -3.4358 3 1219.6590183 -58516 30391 785      90 784        C-13-H3C-13-H2C-13-N
  780811.9140  0.0300 -3.1021 3  200.9403 53 -58516 303261313      251214        C-13-H3C-13-H2C-13-N
  780811.9140  0.0300 -3.1021 3  200.9403 53 -58516 303261314      251213        C-13-H3C-13-H2C-13-N
  780871.4560  0.0300 -5.2716 3  270.8549 89 -58516 30344 341      43 142        C-13-H3C-13-H2C-13-N
  781023.2945  0.0060 -5.3502 3  404.8158103  58516 30351 843      51 546        C-13-H3C-13-H2C-13-N
  781122.6668  0.1169 -5.4675 3 2155.9621181  58516 303903753      893752        C-13-H3C-13-H2C-13-N
  781122.6668  0.1169 -5.4675 3 2155.9621181  58516 303903754      893753        C-13-H3C-13-H2C-13-N
  781124.4856  0.0043 -5.5189 3  594.4697123  58516 303611052      61 853        C-13-H3C-13-H2C-13-N
  781128.2640  0.0300 -3.0703 3  186.2552 43 -58516 3032114 7      2013 8        C-13-H3C-13-H2C-13-N
  781128.2640  0.0300 -3.0703 3  186.2552 43 -58516 3032114 8      2013 7        C-13-H3C-13-H2C-13-N
  781157.2294  0.0033 -4.7084 3 1232.1136185  58516 30392 587      91 686        C-13-H3C-13-H2C-13-N
  781221.0126  0.0067 -5.3093 3  455.9644111  58516 30355 749      55 452        C-13-H3C-13-H2C-13-N
  781225.3360  0.0300 -3.0442 3  180.2358 33 -58516 3031615 1      1514 2        C-13-H3C-13-H2C-13-N
  781225.3360  0.0300 -3.0442 3  180.2358 33 -58516 3031615 2      1514 1        C-13-H3C-13-H2C-13-N
  781238.0730  0.0066 -5.2443 3  247.0759 85  58516 30342 439      41 240        C-13-H3C-13-H2C-13-N
  781287.6851  0.0045 -5.5351 3  612.3722125  58516 303621052      62 855        C-13-H3C-13-H2C-13-N
  781453.2527  0.0090 -5.4608 3  446.6891111  58516 30355 650      55 353        C-13-H3C-13-H2C-13-N
  781586.1578  0.3564 -5.5871 3 1095.4848113  58516 303563026      572929        C-13-H3C-13-H2C-13-N
  781586.1578  0.3564 -5.5871 3 1095.4848113  58516 303563027      572928        C-13-H3C-13-H2C-13-N
  781630.4202  0.1464 -5.5831 3 2209.3832181  58516 303903852      893851        C-13-H3C-13-H2C-13-N
  781630.4202  0.1464 -5.5831 3 2209.3832181  58516 303903853      893852        C-13-H3C-13-H2C-13-N
  781808.6790  0.0300 -3.3716 3 1184.8931179 -58516 30389 881      88 880        C-13-H3C-13-H2C-13-N
  781830.4249  0.0517 -5.3104 3  586.7332 65  58516 3033225 7      332410        C-13-H3C-13-H2C-13-N
  781830.4249  0.0517 -5.3104 3  586.7332 65  58516 3033225 8      3324 9        C-13-H3C-13-H2C-13-N
  781874.4032  0.0065 -4.5455 3  247.0546 85  58516 30342 439      41 140        C-13-H3C-13-H2C-13-N
  782330.9840  0.0300 -3.4549 3 1232.1136185 -58516 30392 687      91 686        C-13-H3C-13-H2C-13-N
  782351.5057  0.0095 -4.4654 3 1249.0268193  58516 30396 096      95 195        C-13-H3C-13-H2C-13-N
  782351.5058  0.0095 -3.4690 3 1249.0268193  58516 30396 096      95 095        C-13-H3C-13-H2C-13-N
  782351.5058  0.0095 -4.4654 3 1249.0268193  58516 30396 196      95 095        C-13-H3C-13-H2C-13-N
  782351.5058  0.0095 -3.4690 3 1249.0268193  58516 30396 196      95 195        C-13-H3C-13-H2C-13-N
  782557.9540  0.0300 -3.4546 3 1232.0668185 -58516 30392 587      91 586        C-13-H3C-13-H2C-13-N
  782733.1320  0.0043 -5.5174 3  594.4164123  58516 303611051      61 854        C-13-H3C-13-H2C-13-N
  782743.1460  0.0300 -3.4326 3 1219.1856183 -58516 30391 685      90 684        C-13-H3C-13-H2C-13-N
  782830.2960  0.0300 -3.4123 3  359.9942 95 -58516 30347 939      46 838        C-13-H3C-13-H2C-13-N
  782853.5537  0.0041 -5.5020 3  576.7936121  58516 303601051      60 852        C-13-H3C-13-H2C-13-N
  782854.8130  0.0300 -3.4123 3  359.9934 95 -58516 30347 938      46 839        C-13-H3C-13-H2C-13-N
  782884.4266  0.0066 -4.1426 3  409.6446107  58516 30353 548      52 449        C-13-H3C-13-H2C-13-N
  782945.5910  0.0300 -3.5801 3  435.1309107 -58516 30353 846      52 745        C-13-H3C-13-H2C-13-N
  783262.6163  0.0315 -5.6289 3  507.5622 55  58516 3032724 3      2823 6        C-13-H3C-13-H2C-13-N
  783262.6163  0.0315 -5.6289 3  507.5622 55  58516 3032724 4      2823 5        C-13-H3C-13-H2C-13-N
  783461.2987  0.0030 -5.3200 3  136.0032 59  58516 30329 722      28 523        C-13-H3C-13-H2C-13-N
  783507.8873  0.2560 -5.4297 3  974.5482103  58516 303512922      522825        C-13-H3C-13-H2C-13-N
  783507.8873  0.2560 -5.4297 3  974.5482103  58516 303512923      522824        C-13-H3C-13-H2C-13-N
  783659.1634  0.0038 -4.6488 3 1243.1428187  58516 30393 489      92 588        C-13-H3C-13-H2C-13-N
  783669.3269  0.0088 -4.7137 3 1167.7427179  58516 30389 783      88 682        C-13-H3C-13-H2C-13-N
  783675.8000  0.0300 -3.8654 3 1420.6927183 -58516 303911873      901872        C-13-H3C-13-H2C-13-N
  783675.8000  0.0300 -3.8654 3 1420.6927183 -58516 303911874      901873        C-13-H3C-13-H2C-13-N
  783703.2130  0.0300 -3.9245 3 1448.1027183 -58516 303911972      901971        C-13-H3C-13-H2C-13-N
  783703.2130  0.0300 -3.9245 3 1448.1027183 -58516 303911973      901972        C-13-H3C-13-H2C-13-N
  783713.1680  0.0300 -3.8095 3 1394.7697183 -58516 303911774      901773        C-13-H3C-13-H2C-13-N
  783713.1680  0.0300 -3.8095 3 1394.7697183 -58516 303911775      901774        C-13-H3C-13-H2C-13-N
  783731.6895  0.0157 -5.4462 3  814.8830147  58516 30373 964      73 667        C-13-H3C-13-H2C-13-N
  783731.7076  0.0037 -4.7054 3 1232.0668185  58516 30392 687      91 586        C-13-H3C-13-H2C-13-N
  783734.3240  0.0500 -3.4713 3 1243.1428187 -58516 30393 589      92 588        C-13-H3C-13-H2C-13-N
  783750.5800  0.0300 -3.4712 3 1243.1398187 -58516 30393 489      92 488        C-13-H3C-13-H2C-13-N
  783784.9860  0.0300 -3.9867 3 1476.9849183 -58516 303912071      902070        C-13-H3C-13-H2C-13-N
  783784.9860  0.0300 -3.9867 3 1476.9849183 -58516 303912072      902071        C-13-H3C-13-H2C-13-N
  783825.7447  0.0038 -4.6486 3 1243.1398187  58516 30393 589      92 488        C-13-H3C-13-H2C-13-N
  783829.6480  0.0300 -3.7567 3 1370.3511183 -58516 303911676      901675        C-13-H3C-13-H2C-13-N
  783829.6480  0.0300 -3.7567 3 1370.3511183 -58516 303911675      901674        C-13-H3C-13-H2C-13-N
  783842.1415  0.0030 -5.3197 3  135.9905 59  58516 30329 723      28 524        C-13-H3C-13-H2C-13-N
  783913.2090  0.0300 -4.0520 3 1507.3260183 -58516 303912170      902169        C-13-H3C-13-H2C-13-N
  783913.2090  0.0300 -4.0520 3 1507.3260183 -58516 303912171      902170        C-13-H3C-13-H2C-13-N
  784045.4610  0.0500 -3.7071 3 1347.4574183 -58516 303911577      901576        C-13-H3C-13-H2C-13-N
  784045.4610  0.0500 -3.7071 3 1347.4574183 -58516 303911576      901575        C-13-H3C-13-H2C-13-N
  784081.7500  0.0500 -4.1204 3 1539.1136183 -58516 303912269      902268        C-13-H3C-13-H2C-13-N
  784081.7500  0.0500 -4.1204 3 1539.1136183 -58516 303912270      902269        C-13-H3C-13-H2C-13-N
  784118.7366  0.0041 -5.5008 3  576.7516121  58516 303601050      60 853        C-13-H3C-13-H2C-13-N
  784286.0420  0.0500 -4.1919 3 1572.3360183 -58516 303912368      902367        C-13-H3C-13-H2C-13-N
  784286.0420  0.0500 -4.1919 3 1572.3360183 -58516 303912369      902368        C-13-H3C-13-H2C-13-N
  784390.2330  0.0500 -3.6607 3 1326.1152183 -58516 303911478      901477        C-13-H3C-13-H2C-13-N
  784390.2330  0.0500 -3.6607 3 1326.1152183 -58516 303911477      901476        C-13-H3C-13-H2C-13-N
  784453.3525  0.0039 -5.4862 3  559.4107119  58516 303591050      59 851        C-13-H3C-13-H2C-13-N
  784522.3480  0.0500 -4.2665 3 1606.9820183 -58516 303912467      902466        C-13-H3C-13-H2C-13-N
  784522.3480  0.0500 -4.2665 3 1606.9820183 -58516 303912468      902467        C-13-H3C-13-H2C-13-N
  784787.5918  0.0064 -4.3441 3 1643.0408183  58516 303912566      902565        C-13-H3C-13-H2C-13-N
  784787.5918  0.0064 -4.3441 3 1643.0408183  58516 303912567      902566        C-13-H3C-13-H2C-13-N
  784908.7820  0.0500 -3.6175 3 1306.3597183 -58516 303911379      901378        C-13-H3C-13-H2C-13-N
  784910.9870  0.0500 -3.6175 3 1306.3599183 -58516 303911378      901377        C-13-H3C-13-H2C-13-N
  785079.3555  0.0077 -4.4247 3 1680.5015183  58516 303912665      902664        C-13-H3C-13-H2C-13-N
  785079.3555  0.0077 -4.4247 3 1680.5015183  58516 303912666      902665        C-13-H3C-13-H2C-13-N
  785092.6430  0.0300 -3.5783 3  435.0659107 -58516 30353 845      52 746        C-13-H3C-13-H2C-13-N
  785285.9093  0.0043 -4.6042 3 1252.8467189  58516 30394 391      93 490        C-13-H3C-13-H2C-13-N
  785289.1941  0.0043 -3.4847 3 1252.8467189  58516 30394 491      93 490        C-13-H3C-13-H2C-13-N
  785289.9682  0.0043 -3.4847 3 1252.8466189  58516 30394 391      93 390        C-13-H3C-13-H2C-13-N
  785293.2530  0.0043 -4.6042 3 1252.8466189  58516 30394 491      93 390        C-13-H3C-13-H2C-13-N
  785356.3289  0.1798 -5.3119 3  862.2410 93  58516 303462818      472721        C-13-H3C-13-H2C-13-N
  785356.3289  0.1798 -5.3119 3  862.2410 93  58516 303462819      472720        C-13-H3C-13-H2C-13-N
  785368.0516  0.0040 -5.0407 3  266.3259 87  58516 30343 539      42 340        C-13-H3C-13-H2C-13-N
  785395.6129  0.0096 -4.5083 3 1719.3534183  58516 303912764      902763        C-13-H3C-13-H2C-13-N
  785395.6129  0.0096 -4.5083 3 1719.3534183  58516 303912765      902764        C-13-H3C-13-H2C-13-N
  785398.2794  0.0038 -3.4013 3 1203.3439181  58516 30390 783      89 782        C-13-H3C-13-H2C-13-N
  785442.9469  0.0040 -5.4852 3  559.3778119  58516 303591049      59 852        C-13-H3C-13-H2C-13-N
  785668.5260  0.0500 -3.5777 3 1288.2412183 -58516 303911280      901279        C-13-H3C-13-H2C-13-N
  785693.9680  0.0500 -3.5776 3 1288.2444183 -58516 303911279      901278        C-13-H3C-13-H2C-13-N
  785734.6691  0.0123 -4.5949 3 1759.5859183  58516 303912863      902862        C-13-H3C-13-H2C-13-N
  785734.6691  0.0123 -4.5949 3 1759.5859183  58516 303912864      902863        C-13-H3C-13-H2C-13-N
  785862.8420  0.0500 -3.4564 3 1231.9989183 -58516 30391 884      90 883        C-13-H3C-13-H2C-13-N
  785935.1917  0.0038 -5.4715 3  542.3207117  58516 303581049      58 850        C-13-H3C-13-H2C-13-N
  786063.7620  0.0300 -3.3011 3  308.9623 85 -58516 303421033      41 932        C-13-H3C-13-H2C-13-N
  786063.7620  0.0300 -3.3011 3  308.9623 85 -58516 303421032      41 933        C-13-H3C-13-H2C-13-N
  786095.0901  0.0161 -4.6845 3 1801.1883183  58516 303912962      902961        C-13-H3C-13-H2C-13-N
  786095.0901  0.0161 -4.6845 3 1801.1883183  58516 303912963      902962        C-13-H3C-13-H2C-13-N
  786123.2140  0.0500 -3.4355 3 1219.5730181 -58516 30390 981      89 980        C-13-H3C-13-H2C-13-N
  786290.8629  0.0036 -4.7992 3  400.1057105  58516 30352 646      51 447        C-13-H3C-13-H2C-13-N
  786475.6492  0.0213 -4.7770 3 1844.1498183  58516 303913061      903060        C-13-H3C-13-H2C-13-N
  786475.6492  0.0213 -4.7770 3 1844.1498183  58516 303913062      903061        C-13-H3C-13-H2C-13-N
  786704.9042  0.0038 -5.4708 3  542.2951117  58516 303581048      58 851        C-13-H3C-13-H2C-13-N
  786729.3100  0.0500 -3.5411 3 1271.8289183 -58516 303911181      901180        C-13-H3C-13-H2C-13-N
  786875.2862  0.0280 -4.8725 3 1888.4597183  58516 303913160      903159        C-13-H3C-13-H2C-13-N
  786875.2862  0.0280 -4.8725 3 1888.4597183  58516 303913161      903160        C-13-H3C-13-H2C-13-N
  786945.5620  0.0500 -4.5674 3 1261.3541191 -58516 30395 293      94 392        C-13-H3C-13-H2C-13-N
  786945.5620  0.0500 -3.4955 3 1261.3541191 -58516 30395 393      94 392        C-13-H3C-13-H2C-13-N
  786945.5620  0.0500 -3.4955 3 1261.3541191 -58516 30395 293      94 292        C-13-H3C-13-H2C-13-N
  786945.5620  0.0500 -4.5674 3 1261.3541191 -58516 30395 393      94 292        C-13-H3C-13-H2C-13-N
  786972.4500  0.0500 -3.5409 3 1271.8635183 -58516 303911180      901179        C-13-H3C-13-H2C-13-N
  787122.0416  0.1229 -5.2447 3  758.5710 83  58516 303412714      422617        C-13-H3C-13-H2C-13-N
  787122.0416  0.1229 -5.2447 3  758.5710 83  58516 303412715      422616        C-13-H3C-13-H2C-13-N
  787205.7471  0.0290 -5.6192 3  861.0915153  58516 30376 769      76 472        C-13-H3C-13-H2C-13-N
  787293.0753  0.0367 -4.9709 3 1934.1070183  58516 303913259      903258        C-13-H3C-13-H2C-13-N
  787293.0753  0.0367 -4.9709 3 1934.1070183  58516 303913260      903259        C-13-H3C-13-H2C-13-N
  787309.0725  0.0037 -5.4580 3  525.5233115  58516 303571048      57 849        C-13-H3C-13-H2C-13-N
  787345.2390  0.0300 -3.9719 3  480.5599115 -58516 30357 651      56 552        C-13-H3C-13-H2C-13-N
  787728.2003  0.0476 -5.0722 3 1981.0808183  58516 303913358      903357        C-13-H3C-13-H2C-13-N
  787728.2003  0.0476 -5.0722 3 1981.0808183  58516 303913359      903358        C-13-H3C-13-H2C-13-N
  787791.3735  0.0059 -4.8727 3 1272.0147187  58516 30393 687      92 786        C-13-H3C-13-H2C-13-N
  787838.8980  0.0300 -3.2154 3  266.7413 75 -58516 303371127      361026        C-13-H3C-13-H2C-13-N
  787838.8980  0.0300 -3.2154 3  266.7413 75 -58516 303371126      361027        C-13-H3C-13-H2C-13-N
  787902.4660  0.0500 -3.5082 3 1257.1770183 -58516 303911082      901081        C-13-H3C-13-H2C-13-N
  787904.3479  0.0037 -5.4574 3  525.5035115  58516 303571047      57 850        C-13-H3C-13-H2C-13-N
  788154.0500  0.0500 -3.4798 3 1244.1321183 -58516 30391 983      90 982        C-13-H3C-13-H2C-13-N
  788179.9350  0.0613 -5.1763 3 2029.3699183  58516 303913457      903456        C-13-H3C-13-H2C-13-N
  788179.9350  0.0613 -5.1763 3 2029.3699183  58516 303913458      903457        C-13-H3C-13-H2C-13-N
  788583.8377  0.0036 -5.4456 3  509.0182113  58516 303561047      56 848        C-13-H3C-13-H2C-13-N
  788645.0239  0.0065 -4.5354 3 1268.7579193  58516 30396 195      95 294        C-13-H3C-13-H2C-13-N
  788645.0240  0.0300 -3.5040 3 1268.7579193 -58516 30396 295      95 294        C-13-H3C-13-H2C-13-N
  788645.0260  0.0065 -3.5040 3 1268.7579193  58516 30396 195      95 194        C-13-H3C-13-H2C-13-N
  788645.0277  0.0065 -4.5354 3 1268.7579193  58516 30396 295      95 194        C-13-H3C-13-H2C-13-N
  788647.6273  0.0783 -5.2834 3 2078.9633183  58516 303913556      903555        C-13-H3C-13-H2C-13-N
  788647.6273  0.0783 -5.2834 3 2078.9633183  58516 303913557      903556        C-13-H3C-13-H2C-13-N
  788710.8247  0.0069 -5.3218 3  471.9495113  58516 30356 750      56 453        C-13-H3C-13-H2C-13-N
  788795.5405  0.0814 -5.2494 3  663.5452 73  58516 303362610      372513        C-13-H3C-13-H2C-13-N
  788795.5405  0.0814 -5.2494 3  663.5452 73  58516 303362611      372512        C-13-H3C-13-H2C-13-N
  788803.3770  0.0500 -3.4766 3 1245.7031185 -58516 30392 786      91 785        C-13-H3C-13-H2C-13-N
  788884.2500  0.0300 -3.1505 3  233.2497 65 -58516 303321220      311121        C-13-H3C-13-H2C-13-N
  788884.2500  0.0300 -3.1505 3  233.2497 65 -58516 303321221      311120        C-13-H3C-13-H2C-13-N
  788975.0897  0.0059 -5.3672 3  389.7943101  58516 30350 842      50 545        C-13-H3C-13-H2C-13-N
  789041.5270  0.0036 -5.4451 3  509.0029113  58516 303561046      56 849        C-13-H3C-13-H2C-13-N
  789130.6871  0.0991 -5.3932 3 2129.8497183  58516 303913655      903654        C-13-H3C-13-H2C-13-N
  789130.6871  0.0991 -5.3932 3 2129.8497183  58516 303913656      903655        C-13-H3C-13-H2C-13-N
  789175.3646  0.0082 -4.7466 3 1193.3350181  58516 30390 784      89 683        C-13-H3C-13-H2C-13-N
  789322.9375  0.0034 -4.7446 3 1258.2093187  58516 30393 588      92 687        C-13-H3C-13-H2C-13-N
  789449.3759  0.0194 -5.1698 3 1365.7937193  58516 30396 789      95 888        C-13-H3C-13-H2C-13-N
  789501.6810  0.0300 -3.1031 3  208.4492 55 -58516 303271314      261215        C-13-H3C-13-H2C-13-N
  789501.6810  0.0300 -3.1031 3  208.4492 55 -58516 303271315      261214        C-13-H3C-13-H2C-13-N
  789606.5220  0.0037 -3.5070 3 1257.4676183  58516 303911081      901080        C-13-H3C-13-H2C-13-N
  789628.5761  0.1245 -5.5059 3 2182.0176183  58516 303913754      903753        C-13-H3C-13-H2C-13-N
  789628.5761  0.1245 -5.5059 3 2182.0176183  58516 303913755      903754        C-13-H3C-13-H2C-13-N
  789723.3940  0.0033 -5.0234 3  237.6228 81  58516 30340 635      39 436        C-13-H3C-13-H2C-13-N
  789724.0390  0.0300 -3.7963 3  505.5117117 -58516 30358 751      57 652        C-13-H3C-13-H2C-13-N
  789767.3128  0.0035 -5.4343 3  492.8050111  58516 303551046      55 847        C-13-H3C-13-H2C-13-N
  789827.6040  0.0300 -3.0694 3  192.3218 45 -58516 3032214 8      2113 9        C-13-H3C-13-H2C-13-N
  789827.6040  0.0300 -3.0694 3  192.3218 45 -58516 3032214 9      2113 8        C-13-H3C-13-H2C-13-N
  789926.2770  0.0300 -3.0431 3  184.8595 35 -58516 3031715 2      1614 3        C-13-H3C-13-H2C-13-N
  789926.2770  0.0300 -3.0431 3  184.8595 35 -58516 3031715 3      1614 2        C-13-H3C-13-H2C-13-N
  789946.1481  0.3564 -5.5682 3 1078.9650111  58516 303553025      562928        C-13-H3C-13-H2C-13-N
  789946.1481  0.3564 -5.5682 3 1078.9650111  58516 303553026      562927        C-13-H3C-13-H2C-13-N
  790117.1183  0.0036 -5.4340 3  492.7934111  58516 303551045      55 848        C-13-H3C-13-H2C-13-N
  790140.7994  0.1555 -5.6214 3 2235.4556183  58516 303913853      903852        C-13-H3C-13-H2C-13-N
  790140.7994  0.1555 -5.6214 3 2235.4556183  58516 303913854      903853        C-13-H3C-13-H2C-13-N
  790305.5350  0.0300 -3.4960 3 1258.2093187 -58516 30393 688      92 687        C-13-H3C-13-H2C-13-N
  790352.0810  0.0300 -3.5103 3 1275.1233195 -58516 30397 097      96 096        C-13-H3C-13-H2C-13-N
  790352.0871  0.0096 -4.5065 3 1275.1233195  58516 30397 097      96 196        C-13-H3C-13-H2C-13-N
  790352.0871  0.0096 -4.5065 3 1275.1233195  58516 30397 197      96 096        C-13-H3C-13-H2C-13-N
  790352.0871  0.0096 -3.5103 3 1275.1233195  58516 30397 197      96 196        C-13-H3C-13-H2C-13-N
  790367.3923  0.0518 -5.3771 3  577.1694 63  58516 3033125 6      3224 9        C-13-H3C-13-H2C-13-N
  790367.3923  0.0518 -5.3771 3  577.1694 63  58516 3033125 7      3224 8        C-13-H3C-13-H2C-13-N
  790406.4090  0.0300 -3.6017 3  450.5097109 -58516 30354 847      53 746        C-13-H3C-13-H2C-13-N
  790465.0260  0.0300 -3.4118 3 1210.9715181 -58516 30390 882      89 881        C-13-H3C-13-H2C-13-N
  790496.6990  0.0300 -3.4957 3 1258.1702187 -58516 30393 588      92 587        C-13-H3C-13-H2C-13-N
  790517.7120  0.0300 -3.4739 3 1245.2951185 -58516 30392 686      91 685        C-13-H3C-13-H2C-13-N
  790866.4358  0.0035 -5.4242 3  476.8836109  58516 303541045      54 846        C-13-H3C-13-H2C-13-N
  791132.1531  0.0035 -5.4240 3  476.8748109  58516 303541044      54 847        C-13-H3C-13-H2C-13-N
  791135.4880  0.0300 -3.4275 3  373.5876 97 -58516 30348 940      47 839        C-13-H3C-13-H2C-13-N
  791169.7680  0.0300 -3.4275 3  373.5866 97 -58516 30348 939      47 840        C-13-H3C-13-H2C-13-N
  791479.3010  0.0037 -4.7422 3 1258.1702187  58516 30393 688      92 587        C-13-H3C-13-H2C-13-N
  791483.7698  0.0030 -5.2888 3  144.4059 61  58516 30330 723      29 524        C-13-H3C-13-H2C-13-N
  791653.0143  0.0039 -4.6872 3 1269.2854189  58516 30394 490      93 589        C-13-H3C-13-H2C-13-N
  791714.8310  0.0300 -3.5125 3 1269.2854189 -58516 30394 590      93 589        C-13-H3C-13-H2C-13-N
  791728.1760  0.0300 -3.5125 3 1269.2829189 -58516 30394 490      93 489        C-13-H3C-13-H2C-13-N
  791733.0594  0.0059 -5.4070 3  135.6817 63  58516 30331 526      30 229        C-13-H3C-13-H2C-13-N
  791789.9050  0.0039 -4.6871 3 1269.2829189  58516 30394 590      93 489        C-13-H3C-13-H2C-13-N
  791887.3744  0.0034 -5.4153 3  461.2538107  58516 303531044      53 845        C-13-H3C-13-H2C-13-N
  791909.7612  0.2561 -5.4186 3  959.4759101  58516 303502921      512824        C-13-H3C-13-H2C-13-N
  791909.7612  0.2561 -5.4186 3  959.4759101  58516 303502922      512823        C-13-H3C-13-H2C-13-N
  791984.6904  0.0150 -5.4454 3  793.4719145  58516 30372 963      72 666        C-13-H3C-13-H2C-13-N
  792017.4052  0.0030 -5.2884 3  144.3881 61  58516 30330 724      29 525        C-13-H3C-13-H2C-13-N
  792087.9502  0.0034 -5.4151 3  461.2471107  58516 303531043      53 846        C-13-H3C-13-H2C-13-N
  792155.7360  0.0300 -3.9057 3 1446.8333185 -58516 303921874      911873        C-13-H3C-13-H2C-13-N
  792155.7360  0.0300 -3.9057 3 1446.8333185 -58516 303921875      911874        C-13-H3C-13-H2C-13-N
  792177.9730  0.0300 -3.9647 3 1474.2442185 -58516 303921973      911972        C-13-H3C-13-H2C-13-N
  792177.9730  0.0300 -3.9647 3 1474.2442185 -58516 303921974      911973        C-13-H3C-13-H2C-13-N
  792197.6380  0.0157 -4.9612 3  227.6289 83  58516 30341 239      40 140        C-13-H3C-13-H2C-13-N
  792200.0320  0.0300 -3.8498 3 1420.9116185 -58516 303921775      911774        C-13-H3C-13-H2C-13-N
  792200.0320  0.0300 -3.8498 3 1420.9116185 -58516 303921776      911775        C-13-H3C-13-H2C-13-N
  792255.9780  0.0500 -4.0269 3 1503.1292185 -58516 303922072      912071        C-13-H3C-13-H2C-13-N
  792255.9780  0.0500 -4.0269 3 1503.1292185 -58516 303922073      912072        C-13-H3C-13-H2C-13-N
  792325.8600  0.0300 -3.7970 3 1396.4968185 -58516 303921677      911676        C-13-H3C-13-H2C-13-N
  792325.8600  0.0300 -3.7970 3 1396.4968185 -58516 303921676      911675        C-13-H3C-13-H2C-13-N
  792381.5920  0.0300 -4.0922 3 1533.4745185 -58516 303922171      912170        C-13-H3C-13-H2C-13-N
  792381.5920  0.0300 -4.0922 3 1533.4745185 -58516 303922172      912171        C-13-H3C-13-H2C-13-N
  792548.5162  0.0044 -4.1606 3 1565.2677185  58516 303922270      912269        C-13-H3C-13-H2C-13-N
  792548.5162  0.0044 -4.1606 3 1565.2677185  58516 303922271      912270        C-13-H3C-13-H2C-13-N
  792554.0919  0.0031 -3.7475 3 1373.6104185  58516 303921578      911577        C-13-H3C-13-H2C-13-N
  792554.1030  0.0031 -3.7475 3 1373.6104185  58516 303921577      911576        C-13-H3C-13-H2C-13-N
  792751.9771  0.0049 -4.2320 3 1598.4970185  58516 303922369      912368        C-13-H3C-13-H2C-13-N
  792751.9771  0.0049 -4.2320 3 1598.4970185  58516 303922370      912369        C-13-H3C-13-H2C-13-N
  792835.6308  0.0034 -5.4076 3  445.9153105  58516 303521043      52 844        C-13-H3C-13-H2C-13-N
  792915.7000  0.0300 -3.7011 3 1352.2796185 -58516 303921479      911478        C-13-H3C-13-H2C-13-N
  792915.7000  0.0300 -3.7011 3 1352.2796185 -58516 303921478      911477        C-13-H3C-13-H2C-13-N
  792986.0575  0.0034 -5.4074 3  445.9103105  58516 303521042      52 845        C-13-H3C-13-H2C-13-N
  792988.1024  0.0055 -4.3065 3 1633.1509185  58516 303922468      912467        C-13-H3C-13-H2C-13-N
  792988.0390  0.0500 -4.3065 3 1633.1509185 -58516 303922469      912468        C-13-H3C-13-H2C-13-N
  793073.6598  0.0038 -4.4119 3  266.0688 87  58516 30343 539      42 240        C-13-H3C-13-H2C-13-N
  793152.7590  0.0500 -3.5993 3  450.4269109 -58516 30354 846      53 747        C-13-H3C-13-H2C-13-N
  793159.5500  0.0300 -3.4429 3 1229.5420183 -58516 30391 784      90 783        C-13-H3C-13-H2C-13-N
  793203.7805  0.0036 -4.7938 3  415.3606107  58516 30353 647      52 448        C-13-H3C-13-H2C-13-N
  793253.7953  0.0065 -4.3841 3 1669.2185185  58516 303922567      912566        C-13-H3C-13-H2C-13-N
  793253.7953  0.0065 -4.3841 3 1669.2185185  58516 303922568      912567        C-13-H3C-13-H2C-13-N
  793275.0283  0.0044 -4.6439 3 1279.0411191  58516 30395 392      94 491        C-13-H3C-13-H2C-13-N
  793277.6862  0.0044 -3.5261 3 1279.0411191  58516 30395 492      94 491        C-13-H3C-13-H2C-13-N
  793278.3131  0.0044 -3.5261 3 1279.0410191  58516 30395 392      94 391        C-13-H3C-13-H2C-13-N
  793280.9711  0.0044 -4.6439 3 1279.0410191  58516 30395 492      94 391        C-13-H3C-13-H2C-13-N
  793457.3890  0.0300 -3.6580 3 1332.5414185 -58516 303921380      911379        C-13-H3C-13-H2C-13-N
  793460.1300  0.0300 -3.6580 3 1332.5418185 -58516 303921379      911378        C-13-H3C-13-H2C-13-N
  793546.5297  0.0080 -4.4646 3 1706.6889185  58516 303922666      912665        C-13-H3C-13-H2C-13-N
  793546.5297  0.0080 -4.4646 3 1706.6889185  58516 303922667      912666        C-13-H3C-13-H2C-13-N
  793716.1346  0.0033 -5.4010 3  430.8680103  58516 303511042      51 843        C-13-H3C-13-H2C-13-N
  793797.4276  0.1799 -5.3109 3  848.6172 91  58516 303452817      462720        C-13-H3C-13-H2C-13-N
  793797.4276  0.1799 -5.3109 3  848.6172 91  58516 303452818      462719        C-13-H3C-13-H2C-13-N
  793828.2009  0.0033 -5.4009 3  430.8642103  58516 303511041      51 844        C-13-H3C-13-H2C-13-N
  793864.2187  0.0102 -4.5482 3 1745.5514185  58516 303922765      912764        C-13-H3C-13-H2C-13-N
  793864.2187  0.0102 -4.5482 3 1745.5514185  58516 303922766      912765        C-13-H3C-13-H2C-13-N
  794062.0980  0.0500 -3.4975 3 1258.2125185 -58516 30392 885      91 884        C-13-H3C-13-H2C-13-N
  794205.1177  0.0133 -4.6348 3 1785.7952185  58516 303922864      912863        C-13-H3C-13-H2C-13-N
  794205.1177  0.0133 -4.6348 3 1785.7952185  58516 303922865      912864        C-13-H3C-13-H2C-13-N
  794248.4900  0.0300 -3.6182 3 1314.4483185 -58516 303921281      911280        C-13-H3C-13-H2C-13-N
  794280.2150  0.0300 -3.6182 3 1314.4523185 -58516 303921280      911279        C-13-H3C-13-H2C-13-N
  794533.3235  0.0033 -5.3957 3  416.1117101  58516 303501041      50 842        C-13-H3C-13-H2C-13-N
  794567.7512  0.0175 -4.7243 3 1827.4096185  58516 303922963      912962        C-13-H3C-13-H2C-13-N
  794567.7512  0.0175 -4.7243 3 1827.4096185  58516 303922964      912963        C-13-H3C-13-H2C-13-N
  794577.4399  0.0017 -3.3123 3  321.0962 87  58516 303431034      42 933        C-13-H3C-13-H2C-13-N
  794577.6507  0.0017 -3.3123 3  321.0962 87  58516 303431033      42 934        C-13-H3C-13-H2C-13-N
  794616.2393  0.0033 -5.3957 3  416.1089101  58516 303501040      50 843        C-13-H3C-13-H2C-13-N
  794938.5510  0.0300 -4.6080 3 1287.6038193 -58516 30396 294      95 393        C-13-H3C-13-H2C-13-N
  794938.5510  0.0300 -3.5371 3 1287.6038193 -58516 30396 394      95 393        C-13-H3C-13-H2C-13-N
  794938.5510  0.0300 -3.5371 3 1287.6038193 -58516 30396 294      95 293        C-13-H3C-13-H2C-13-N
  794938.5510  0.0300 -4.6080 3 1287.6038193 -58516 30396 394      95 293        C-13-H3C-13-H2C-13-N
  794950.8580  0.0232 -4.8168 3 1870.3838185  58516 303923062      913061        C-13-H3C-13-H2C-13-N
  794950.8580  0.0232 -4.8168 3 1870.3838185  58516 303923063      913062        C-13-H3C-13-H2C-13-N
  794972.4046  0.0077 -4.7804 3 1219.1856183  58516 30391 785      90 684        C-13-H3C-13-H2C-13-N
  795255.6520  0.0300 -3.4755 3 1245.7953183 -58516 30391 982      90 981        C-13-H3C-13-H2C-13-N
  795291.2136  0.0033 -5.3917 3  401.6463 99  58516 303491040      49 841        C-13-H3C-13-H2C-13-N
  795298.2809  0.0188 -5.6045 3  704.3748139  58516 30369 663      69 366        C-13-H3C-13-H2C-13-N
  795307.9259  0.0096 -5.4872 3  462.4618113  58516 30356 651      56 354        C-13-H3C-13-H2C-13-N
  795342.4090  0.0300 -3.5817 3 1298.0713185 -58516 303921182      911181        C-13-H3C-13-H2C-13-N
  795352.1273  0.0033 -5.3916 3  401.6443 99  58516 303491039      49 842        C-13-H3C-13-H2C-13-N
  795353.3482  0.0304 -4.9122 3 1914.7070185  58516 303923161      913160        C-13-H3C-13-H2C-13-N
  795353.3482  0.0304 -4.9122 3 1914.7070185  58516 303923162      913161        C-13-H3C-13-H2C-13-N
  795599.6698  0.1230 -5.2578 3  746.3964 81  58516 303402713      412616        C-13-H3C-13-H2C-13-N
  795599.6698  0.1230 -5.2578 3  746.3964 81  58516 303402714      412615        C-13-H3C-13-H2C-13-N
  795636.7940  0.0300 -3.5815 3 1298.1141185 -58516 303921181      911180        C-13-H3C-13-H2C-13-N
  795714.5726  0.0060 -4.8655 3  409.2166107  58516 30353 548      52 349        C-13-H3C-13-H2C-13-N
  795774.2707  0.0397 -5.0105 3 1960.3683185  58516 303923260      913259        C-13-H3C-13-H2C-13-N
  795774.2707  0.0397 -5.0105 3 1960.3683185  58516 303923261      913260        C-13-H3C-13-H2C-13-N
  795993.4606  0.0032 -5.3889 3  387.4716 97  58516 303481039      48 840        C-13-H3C-13-H2C-13-N
  796037.8829  0.0032 -5.3888 3  387.4702 97  58516 303481038      48 841        C-13-H3C-13-H2C-13-N
  796212.7875  0.0514 -5.1117 3 2007.3566185  58516 303923359      913358        C-13-H3C-13-H2C-13-N
  796212.7875  0.0514 -5.1117 3 2007.3566185  58516 303923360      913359        C-13-H3C-13-H2C-13-N
  796296.8328  0.0069 -4.3511 3  343.8634 99  58516 30349 445      48 346        C-13-H3C-13-H2C-13-N
  796451.9100  0.0300 -3.2230 3  277.4260 77 -58516 303381128      371027        C-13-H3C-13-H2C-13-N
  796451.9100  0.0300 -3.2230 3  277.4260 77 -58516 303381127      371028        C-13-H3C-13-H2C-13-N
  796502.6040  0.0300 -3.5490 3 1283.4586185 -58516 303921083      911082        C-13-H3C-13-H2C-13-N
  796585.4373  0.0057 -5.3846 3  375.0751 99  58516 30349 841      49 544        C-13-H3C-13-H2C-13-N
  796605.1460  0.0300 -3.5208 3 1270.4221185 -58516 30392 984      91 983        C-13-H3C-13-H2C-13-N
  796640.5730  0.0300 -4.5767 3 1295.0643195 -58516 30397 196      96 295        C-13-H3C-13-H2C-13-N
  796640.5730  0.0300 -3.5458 3 1295.0643195 -58516 30397 296      96 295        C-13-H3C-13-H2C-13-N
  796640.5730  0.0300 -3.5458 3 1295.0643195 -58516 30397 196      96 195        C-13-H3C-13-H2C-13-N
  796640.5730  0.0300 -4.5767 3 1295.0643195 -58516 30397 296      96 195        C-13-H3C-13-H2C-13-N
  796643.4107  0.0032 -5.3874 3  373.5876 95  58516 303471038      47 839        C-13-H3C-13-H2C-13-N
  796668.1532  0.0660 -5.2158 3 2055.6608185  58516 303923458      913457        C-13-H3C-13-H2C-13-N
  796668.1532  0.0660 -5.2158 3 2055.6608185  58516 303923459      913458        C-13-H3C-13-H2C-13-N
  796675.5608  0.0032 -5.3874 3  373.5866 95  58516 303471037      47 840        C-13-H3C-13-H2C-13-N
  796773.2177  0.0072 -5.3367 3  488.2065115  58516 30357 751      57 454        C-13-H3C-13-H2C-13-N
  796814.1920  0.0300 -3.5182 3 1272.0147187 -58516 30393 787      92 786        C-13-H3C-13-H2C-13-N
  797027.8419  0.0492 -5.6256 3 1548.6865205  58516 303A2 894      A1 993        C-13-H3C-13-H2C-13-N
  797085.5214  0.0054 -4.9057 3 1298.5936189  58516 30394 688      93 787        C-13-H3C-13-H2C-13-N
  797139.6990  0.0839 -5.3228 3 2105.2698185  58516 303923557      913556        C-13-H3C-13-H2C-13-N
  797139.6990  0.0839 -5.3228 3 2105.2698185  58516 303923558      913557        C-13-H3C-13-H2C-13-N
  797244.1457  0.0032 -5.3872 3  359.9942 93  58516 303461037      46 838        C-13-H3C-13-H2C-13-N
  797267.2310  0.0032 -5.3872 3  359.9934 93  58516 303461036      46 839        C-13-H3C-13-H2C-13-N
  797306.9811  0.0815 -5.2853 3  652.8204 71  58516 3033526 9      362512        C-13-H3C-13-H2C-13-N
  797306.9811  0.0815 -5.2853 3  652.8204 71  58516 303352610      362511        C-13-H3C-13-H2C-13-N
  797453.8473  0.0034 -4.7818 3 1284.5711189  58516 30394 589      93 688        C-13-H3C-13-H2C-13-N
  797547.6970  0.0300 -3.1550 3  242.4899 67 -58516 303331221      321122        C-13-H3C-13-H2C-13-N
  797547.6970  0.0300 -3.1550 3  242.4899 67 -58516 303331222      321121        C-13-H3C-13-H2C-13-N
  797626.8196  0.1059 -5.4326 3 2156.1722185  58516 303923656      913655        C-13-H3C-13-H2C-13-N
  797626.8196  0.1059 -5.4326 3 2156.1722185  58516 303923657      913656        C-13-H3C-13-H2C-13-N
  797724.6910  0.0300 -3.6243 3  466.1842111 -58516 30355 848      54 747        C-13-H3C-13-H2C-13-N
  797798.5196  0.0031 -5.3884 3  346.6912 91  58516 303451036      45 837        C-13-H3C-13-H2C-13-N
  797814.9607  0.0031 -5.3884 3  346.6906 91  58516 303451035      45 838        C-13-H3C-13-H2C-13-N
  798128.9634  0.1327 -5.5452 3 2208.3567185  58516 303923755      913754        C-13-H3C-13-H2C-13-N
  798128.9634  0.1327 -5.5452 3 2208.3567185  58516 303923756      913755        C-13-H3C-13-H2C-13-N
  798190.2830  0.0300 -3.1048 3  216.2468 57 -58516 303281315      271216        C-13-H3C-13-H2C-13-N
  798190.2830  0.0300 -3.1048 3  216.2468 57 -58516 303281316      271215        C-13-H3C-13-H2C-13-N
  798275.6880  0.0300 -3.5378 3 1284.5711189 -58516 30394 689      93 688        C-13-H3C-13-H2C-13-N
  798306.3400  0.0300 -3.5158 3 1271.6640187 -58516 30393 687      92 686        C-13-H3C-13-H2C-13-N
  798309.1905  0.0031 -5.3909 3  333.6785 89  58516 303441035      44 836        C-13-H3C-13-H2C-13-N
  798313.5271  0.3564 -5.5511 3 1062.7328109  58516 303543024      552927        C-13-H3C-13-H2C-13-N
  798313.5271  0.3564 -5.5511 3 1062.7328109  58516 303543025      552926        C-13-H3C-13-H2C-13-N
  798320.8003  0.0031 -5.3909 3  333.6781 89  58516 303441034      44 837        C-13-H3C-13-H2C-13-N
  798349.1950  0.0300 -3.5523 3 1301.4866197 -58516 30398 098      97 097        C-13-H3C-13-H2C-13-N
  798349.1988  0.0098 -4.5483 3 1301.4866197  58516 30398 098      97 197        C-13-H3C-13-H2C-13-N
  798349.1988  0.0098 -4.5483 3 1301.4866197  58516 30398 198      97 097        C-13-H3C-13-H2C-13-N
  798349.1988  0.0098 -3.5523 3 1301.4866197  58516 30398 198      97 197        C-13-H3C-13-H2C-13-N
  798436.4480  0.0300 -3.5376 3 1284.5383189 -58516 30394 589      93 588        C-13-H3C-13-H2C-13-N
  798490.0010  0.0300 -3.5475 3 1283.8061185 -58516 303921082      911081        C-13-H3C-13-H2C-13-N
  798527.2730  0.0300 -3.0691 3  198.6771 47 -58516 3032314 9      221310        C-13-H3C-13-H2C-13-N
  798527.2730  0.0300 -3.0691 3  198.6771 47 -58516 303231410      2213 9        C-13-H3C-13-H2C-13-N
  798628.5420  0.0300 -3.0421 3  189.7721 37 -58516 3031815 3      1714 4        C-13-H3C-13-H2C-13-N
  798628.5420  0.0300 -3.0421 3  189.7721 37 -58516 3031815 4      1714 3        C-13-H3C-13-H2C-13-N
  798778.6468  0.0031 -5.3949 3  320.9560 87  58516 303431034      43 835        C-13-H3C-13-H2C-13-N
  798786.7724  0.0031 -5.3949 3  320.9558 87  58516 303431033      43 836        C-13-H3C-13-H2C-13-N
  798850.5056  0.0067 -5.0542 3  343.7782 99  58516 30349 445      48 246        C-13-H3C-13-H2C-13-N
  798909.9210  0.0519 -5.4599 3  567.8948 61  58516 3033025 5      3124 8        C-13-H3C-13-H2C-13-N
  798909.9210  0.0519 -5.4599 3  567.8948 61  58516 3033025 6      3124 7        C-13-H3C-13-H2C-13-N
  799040.6760  0.0300 -3.4527 3 1237.3385183 -58516 30391 883      90 882        C-13-H3C-13-H2C-13-N
  799209.2290  0.0030 -5.4004 3  308.5238 85  58516 303421033      42 834        C-13-H3C-13-H2C-13-N
  799214.8638  0.0030 -5.4004 3  308.5236 85  58516 303421032      42 835        C-13-H3C-13-H2C-13-N
  799258.2833  0.0037 -4.7798 3 1284.5383189  58516 30394 689      93 588        C-13-H3C-13-H2C-13-N
  799410.6070  0.0030 -5.2596 3  153.1017 63  58516 30331 724      30 525        C-13-H3C-13-H2C-13-N
  799411.2180  0.0500 -3.4436 3  387.4716 99 -58516 30349 941      48 840        C-13-H3C-13-H2C-13-N
  799458.6250  0.0500 -3.4435 3  387.4702 99 -58516 30349 940      48 841        C-13-H3C-13-H2C-13-N
  799516.3235  0.0034 -5.0126 3  249.1781 83  58516 30341 636      40 437        C-13-H3C-13-H2C-13-N
  799603.1487  0.0030 -5.4073 3  296.3816 83  58516 303411032      41 833        C-13-H3C-13-H2C-13-N
  799607.0185  0.0030 -5.4073 3  296.3815 83  58516 303411031      41 834        C-13-H3C-13-H2C-13-N
  799641.2406  0.0040 -4.7264 3 1295.6942191  58516 30395 491      94 590        C-13-H3C-13-H2C-13-N
  799691.9400  0.0300 -3.5545 3 1295.6942191 -58516 30395 591      94 590        C-13-H3C-13-H2C-13-N
  799702.9710  0.0300 -3.5545 3 1295.6921191 -58516 30395 491      94 490        C-13-H3C-13-H2C-13-N
  799753.6810  0.0040 -4.7263 3 1295.6921191  58516 30395 591      94 490        C-13-H3C-13-H2C-13-N
  799962.5032  0.0030 -5.4158 3  284.5295 81  58516 303401031      40 832        C-13-H3C-13-H2C-13-N
  799965.1341  0.0030 -5.4158 3  284.5294 81  58516 303401030      40 833        C-13-H3C-13-H2C-13-N
  800148.7151  0.0030 -5.2590 3  153.0770 63  58516 30331 725      30 526        C-13-H3C-13-H2C-13-N
  800289.2883  0.0030 -5.4259 3  272.9673 79  58516 303391030      39 831        C-13-H3C-13-H2C-13-N
  800291.0581  0.0030 -5.4259 3  272.9672 79  58516 303391029      39 832        C-13-H3C-13-H2C-13-N
  800318.6535  0.2561 -5.4098 3  944.6917 99  58516 303492920      502823        C-13-H3C-13-H2C-13-N
  800318.6535  0.2561 -5.4098 3  944.6917 99  58516 303492921      502822        C-13-H3C-13-H2C-13-N
  800411.8143  0.0070 -5.2565 3  258.8364 87  58516 30343 440      42 241        C-13-H3C-13-H2C-13-N
  800455.6900  0.0500 -3.8271 3  522.3186119 -58516 30359 752      58 653        C-13-H3C-13-H2C-13-N
  800585.4088  0.0029 -5.4377 3  261.6950 77  58516 303381029      38 830        C-13-H3C-13-H2C-13-N
  800586.5862  0.0029 -5.4377 3  261.6949 77  58516 303381028      38 831        C-13-H3C-13-H2C-13-N
  800631.3440  0.0300 -3.9467 3 1473.2568187 -58516 303931875      921874        C-13-H3C-13-H2C-13-N
  800631.3440  0.0300 -3.9467 3 1473.2568187 -58516 303931876      921875        C-13-H3C-13-H2C-13-N
  800648.4030  0.1000 -4.0057 3 1500.6684187 -58516 303931974      921973        C-13-H3C-13-H2C-13-N
  800648.4030  0.1000 -4.0057 3 1500.6684187 -58516 303931975      921974        C-13-H3C-13-H2C-13-N
  800682.8690  0.0300 -3.8908 3 1447.3365187 -58516 303931776      921775        C-13-H3C-13-H2C-13-N
  800682.8690  0.0300 -3.8908 3 1447.3365187 -58516 303931777      921776        C-13-H3C-13-H2C-13-N
  800722.3517  0.0037 -4.0678 3 1529.5560187  58516 303932073      922072        C-13-H3C-13-H2C-13-N
  800722.3517  0.0037 -4.0678 3 1529.5560187  58516 303932074      922073        C-13-H3C-13-H2C-13-N
  800758.0599  0.0142 -5.4455 3  772.3364143  58516 30371 962      71 665        C-13-H3C-13-H2C-13-N
  800807.4632  0.0041 -5.0462 3  278.5666 89  58516 30344 540      43 341        C-13-H3C-13-H2C-13-N
  800818.2130  0.0300 -3.8381 3 1422.9259187 -58516 303931678      921677        C-13-H3C-13-H2C-13-N
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  801448.8698  0.0056 -4.3473 3 1659.6021187  58516 303932470      922469        C-13-H3C-13-H2C-13-N
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  801714.9451  0.0068 -4.4248 3 1695.6786187  58516 303932569      922568        C-13-H3C-13-H2C-13-N
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  801943.9497  0.0030 -5.5730 3  190.9002 63  58516 303311021      31 824        C-13-H3C-13-H2C-13-N
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  802006.9810  0.0300 -3.6992 3 1359.0087187 -58516 303931380      921379        C-13-H3C-13-H2C-13-N
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  802008.5898  0.0085 -4.5053 3 1733.1588187  58516 303932668      922667        C-13-H3C-13-H2C-13-N
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  802054.6437  0.0030 -5.6011 3  181.9447 61  58516 303301020      30 823        C-13-H3C-13-H2C-13-N
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  802148.7578  0.0030 -5.6318 3  173.2787 59  58516 303291019      29 822        C-13-H3C-13-H2C-13-N
  802236.6809  0.0038 -3.5393 3 1284.6996187  58516 30393 886      92 885        C-13-H3C-13-H2C-13-N
  802245.1729  0.1799 -5.3129 3  835.2818 89  58516 303442816      452719        C-13-H3C-13-H2C-13-N
  802245.1729  0.1799 -5.3129 3  835.2818 89  58516 303442817      452718        C-13-H3C-13-H2C-13-N
  802327.6553  0.0110 -4.5889 3 1772.0319187  58516 303932766      922765        C-13-H3C-13-H2C-13-N
  802327.6553  0.0110 -4.5889 3 1772.0319187  58516 303932767      922766        C-13-H3C-13-H2C-13-N
  802670.3463  0.0145 -4.6754 3 1812.2870187  58516 303932865      922864        C-13-H3C-13-H2C-13-N
  802670.3463  0.0145 -4.6754 3 1812.2870187  58516 303932866      922865        C-13-H3C-13-H2C-13-N
  802826.7670  0.0300 -3.6595 3 1340.9415187 -58516 303931282      921281        C-13-H3C-13-H2C-13-N
  802866.1950  0.0300 -3.6594 3 1340.9466187 -58516 303931281      921280        C-13-H3C-13-H2C-13-N
  802928.1220  0.0300 -4.6493 3 1314.1201195 -58516 30397 295      96 394        C-13-H3C-13-H2C-13-N
  802928.1220  0.0300 -3.5794 3 1314.1201195 -58516 30397 395      96 394        C-13-H3C-13-H2C-13-N
  802928.1220  0.0300 -3.5794 3 1314.1201195 -58516 30397 295      96 294        C-13-H3C-13-H2C-13-N
  802928.1220  0.0300 -4.6493 3 1314.1201195 -58516 30397 395      96 294        C-13-H3C-13-H2C-13-N
  803035.1453  0.0191 -4.7649 3 1853.9135187  58516 303932964      922963        C-13-H3C-13-H2C-13-N
  803035.1453  0.0191 -4.7649 3 1853.9135187  58516 303932965      922964        C-13-H3C-13-H2C-13-N
  803076.8975  0.0018 -3.3243 3  333.5194 89  58516 303441035      43 934        C-13-H3C-13-H2C-13-N
  803077.2175  0.0018 -3.3243 3  333.5194 89  58516 303441034      43 935        C-13-H3C-13-H2C-13-N
  803420.7555  0.0252 -4.8573 3 1896.9005187  58516 303933063      923062        C-13-H3C-13-H2C-13-N
  803420.7555  0.0252 -4.8573 3 1896.9005187  58516 303933064      923063        C-13-H3C-13-H2C-13-N
  803807.8316  0.0055 -5.4025 3  360.6595 97  58516 30348 840      48 543        C-13-H3C-13-H2C-13-N
  803826.0572  0.0331 -4.9526 3 1941.2371187  58516 303933162      923161        C-13-H3C-13-H2C-13-N
  803826.0572  0.0331 -4.9526 3 1941.2371187  58516 303933163      923162        C-13-H3C-13-H2C-13-N
  803952.6280  0.0300 -3.6231 3 1324.6011187 -58516 303931183      921182        C-13-H3C-13-H2C-13-N
  804083.5732  0.1231 -5.2755 3  734.5106 79  58516 303392712      402615        C-13-H3C-13-H2C-13-N
  804083.5732  0.1231 -5.2755 3  734.5106 79  58516 303392713      402614        C-13-H3C-13-H2C-13-N
  804250.0735  0.0430 -5.0509 3 1986.9124187  58516 303933261      923260        C-13-H3C-13-H2C-13-N
  804250.0735  0.0430 -5.0509 3 1986.9124187  58516 303933262      923261        C-13-H3C-13-H2C-13-N
  804307.7270  0.0300 -3.6228 3 1324.6537187 -58516 303931182      921181        C-13-H3C-13-H2C-13-N
  804377.6740  0.0300 -3.5162 3 1272.3222185 -58516 30392 983      91 982        C-13-H3C-13-H2C-13-N
  804596.6287  0.0088 -4.5809 3  283.1723 91  58516 30345 342      44 243        C-13-H3C-13-H2C-13-N
  804632.6060  0.0300 -4.6186 3 1321.6373197 -58516 30398 197      97 296        C-13-H3C-13-H2C-13-N
  804632.6060  0.0300 -3.5883 3 1321.6373197 -58516 30398 297      97 296        C-13-H3C-13-H2C-13-N
  804632.6060  0.0300 -3.5883 3 1321.6373197 -58516 30398 197      97 196        C-13-H3C-13-H2C-13-N
  804632.6060  0.0300 -4.6186 3 1321.6373197 -58516 30398 297      97 196        C-13-H3C-13-H2C-13-N
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  804691.9441  0.0555 -5.1521 3 2033.9154187  58516 303933361      923360        C-13-H3C-13-H2C-13-N
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  804927.4349  0.0087 -5.2893 3  283.1613 91  58516 30345 342      44 143        C-13-H3C-13-H2C-13-N
  805031.9120  0.0300 -3.5625 3 1296.9939187 -58516 30393 985      92 984        C-13-H3C-13-H2C-13-N
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  805150.9043  0.0710 -5.2561 3 2082.2348187  58516 303933460      923459        C-13-H3C-13-H2C-13-N
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  805626.2680  0.0899 -5.3630 3 2131.8595187  58516 303933559      923558        C-13-H3C-13-H2C-13-N
  805824.3272  0.0816 -5.3295 3  642.3847 69  58516 3033426 8      352511        C-13-H3C-13-H2C-13-N
  805824.3272  0.0816 -5.3295 3  642.3847 69  58516 3033426 9      352510        C-13-H3C-13-H2C-13-N
  806108.3400  0.0300 -3.5585 3 1298.2926189 -58516 30394 688      93 687        C-13-H3C-13-H2C-13-N
  806117.4150  0.1131 -5.4727 3 2182.7782187  58516 303933657      923656        C-13-H3C-13-H2C-13-N
  806117.4150  0.1131 -5.4727 3 2182.7782187  58516 303933658      923657        C-13-H3C-13-H2C-13-N
  806194.7244  0.0051 -4.9400 3 1325.4393191  58516 30395 689      94 788        C-13-H3C-13-H2C-13-N
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  806207.4150  0.0500 -3.1602 3  252.0188 69 -58516 303341223      331122        C-13-H3C-13-H2C-13-N
  806241.5770  0.0300 -3.5803 3 1311.1987191 -58516 30395 690      94 689        C-13-H3C-13-H2C-13-N
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  806342.8096  0.0100 -4.5908 3 1328.1166199  58516 30399 199      98 098        C-13-H3C-13-H2C-13-N
  806342.8096  0.0100 -3.5950 3 1328.1166199  58516 30399 199      98 198        C-13-H3C-13-H2C-13-N
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  806623.7799  0.1413 -5.5852 3 2234.9795187  58516 303933757      923756        C-13-H3C-13-H2C-13-N
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  806688.2733  0.3565 -5.5358 3 1046.7884107  58516 303533024      542925        C-13-H3C-13-H2C-13-N
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  806877.5450  0.0500 -3.1072 3  224.3330 59 -58516 303291317      281216        C-13-H3C-13-H2C-13-N
  807063.4252  0.0038 -4.8182 3 1311.1713191  58516 30395 690      94 589        C-13-H3C-13-H2C-13-N
  807227.1340  0.0300 -3.0693 3  205.3211 49 -58516 303241410      231311        C-13-H3C-13-H2C-13-N
  807227.1340  0.0300 -3.0693 3  205.3211 49 -58516 303241411      231310        C-13-H3C-13-H2C-13-N
  807228.3299  0.0029 -5.2323 3  162.0911 65  58516 30332 725      31 526        C-13-H3C-13-H2C-13-N
  807271.0460  0.0039 -4.4045 3  278.3510 89  58516 30344 540      43 241        C-13-H3C-13-H2C-13-N
  807329.1326  0.0067 -4.8505 3 1271.6640187  58516 30393 787      92 686        C-13-H3C-13-H2C-13-N
  807332.0190  0.0300 -3.0414 3  194.9735 39 -58516 3031915 4      1814 5        C-13-H3C-13-H2C-13-N
  807332.0190  0.0300 -3.0414 3  194.9735 39 -58516 3031915 5      1814 4        C-13-H3C-13-H2C-13-N
  807398.0367  0.0042 -3.5889 3 1310.4408187  58516 303931083      921082        C-13-H3C-13-H2C-13-N
  807400.1420  0.0060 -5.3821 3  144.4427 65  58516 30332 527      31 230        C-13-H3C-13-H2C-13-N
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  807457.9888  0.0520 -5.5641 3  558.9094 59  58516 3032925 5      3024 6        C-13-H3C-13-H2C-13-N
  807533.7400  0.0300 -3.4946 3 1263.9917185 -58516 30392 884      91 883        C-13-H3C-13-H2C-13-N
  807624.2327  0.0041 -4.7664 3 1322.3690193  58516 30396 492      95 591        C-13-H3C-13-H2C-13-N
  807655.4330  0.0500 -3.4605 3  401.6463101 -58516 30350 942      49 841        C-13-H3C-13-H2C-13-N
  807665.8330  0.0300 -3.5971 3 1322.3690193 -58516 30396 592      95 591        C-13-H3C-13-H2C-13-N
  807674.9400  0.0300 -3.5971 3 1322.3673193 -58516 30396 492      95 491        C-13-H3C-13-H2C-13-N
  807716.5504  0.0041 -4.7663 3 1322.3673193  58516 30396 592      95 491        C-13-H3C-13-H2C-13-N
  807720.5000  0.0500 -3.4604 3  401.6443101 -58516 30350 941      49 842        C-13-H3C-13-H2C-13-N
  808236.8136  0.0029 -5.2316 3  162.0573 65  58516 30332 726      31 527        C-13-H3C-13-H2C-13-N
  808562.0560  0.0300 -3.5281 3 1282.7133187 -58516 30393 786      92 785        C-13-H3C-13-H2C-13-N
  808734.5426  0.2562 -5.4034 3  930.1956 97  58516 303482919      492822        C-13-H3C-13-H2C-13-N
  808734.5426  0.2562 -5.4034 3  930.1956 97  58516 303482920      492821        C-13-H3C-13-H2C-13-N
  809102.5700  0.0300 -3.9884 3 1499.9629189 -58516 303941876      931875        C-13-H3C-13-H2C-13-N
  809102.5700  0.0300 -3.9884 3 1499.9629189 -58516 303941877      931876        C-13-H3C-13-H2C-13-N
  809113.9610  0.0300 -4.0474 3 1527.3752189 -58516 303941975      931974        C-13-H3C-13-H2C-13-N
  809113.9610  0.0300 -4.0474 3 1527.3752189 -58516 303941976      931975        C-13-H3C-13-H2C-13-N
  809161.4710  0.0300 -3.9326 3 1474.0444189 -58516 303941778      931777        C-13-H3C-13-H2C-13-N
  809161.4710  0.0300 -3.9326 3 1474.0444189 -58516 303941777      931776        C-13-H3C-13-H2C-13-N
  809184.0240  0.0300 -4.1095 3 1556.2652189 -58516 303942074      932073        C-13-H3C-13-H2C-13-N
  809184.0240  0.0300 -4.1095 3 1556.2652189 -58516 303942075      932074        C-13-H3C-13-H2C-13-N
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  809244.8945  0.0047 -3.6110 3 1332.2292195  58516 30397 394      96 393        C-13-H3C-13-H2C-13-N
  809246.6341  0.0047 -4.7254 3 1332.2292195  58516 30397 494      96 393        C-13-H3C-13-H2C-13-N
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  809304.0650  0.0300 -4.1747 3 1586.6188189 -58516 303942174      932173        C-13-H3C-13-H2C-13-N
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  809306.6590  0.0300 -3.8800 3 1449.6384189 -58516 303941678      931677        C-13-H3C-13-H2C-13-N
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  809467.4400  0.0300 -4.2430 3 1618.4231189 -58516 303942273      932272        C-13-H3C-13-H2C-13-N
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  809560.7490  0.0300 -3.8305 3 1426.7676189 -58516 303941579      931578        C-13-H3C-13-H2C-13-N
  809587.5616  0.0034 -5.0037 3  261.0158 85  58516 30342 637      41 438        C-13-H3C-13-H2C-13-N
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  809668.8980  0.0500 -4.3144 3 1651.6659189 -58516 303942372      932371        C-13-H3C-13-H2C-13-N
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  809904.6022  0.0057 -4.3889 3 1686.3356189  58516 303942471      932470        C-13-H3C-13-H2C-13-N
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  809957.6168  0.0029 -3.7842 3 1405.4616189  58516 303941480      931479        C-13-H3C-13-H2C-13-N
  809958.5240  0.0134 -5.4466 3  751.4792141  58516 30370 961      70 664        C-13-H3C-13-H2C-13-N
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  810170.9932  0.0071 -4.4663 3 1722.4209189  58516 303942570      932569        C-13-H3C-13-H2C-13-N
  810387.4690  0.0300 -3.5818 3 1311.4593189 -58516 30394 887      93 886        C-13-H3C-13-H2C-13-N
  810465.4878  0.0091 -4.5468 3 1759.9109189  58516 303942668      932667        C-13-H3C-13-H2C-13-N
  810465.4878  0.0091 -4.5468 3 1759.9109189  58516 303942669      932668        C-13-H3C-13-H2C-13-N
  810547.3730  0.0300 -3.7412 3 1385.7603189 -58516 303941382      931381        C-13-H3C-13-H2C-13-N
  810551.7090  0.0300 -3.7412 3 1385.7608189 -58516 303941381      931380        C-13-H3C-13-H2C-13-N
  810604.7852  0.0054 -5.4210 3  346.5488 95  58516 30347 839      47 542        C-13-H3C-13-H2C-13-N
  810699.5431  0.1800 -5.3183 3  822.2349 87  58516 303432815      442718        C-13-H3C-13-H2C-13-N
  810699.5431  0.1800 -5.3183 3  822.2349 87  58516 303432816      442717        C-13-H3C-13-H2C-13-N
  810785.9340  0.0300 -4.6303 3 1798.7946189 -58516 303942767      932766        C-13-H3C-13-H2C-13-N
  810785.9340  0.0300 -4.6303 3 1798.7946189 -58516 303942768      932767        C-13-H3C-13-H2C-13-N
  810914.1660  0.0300 -4.6912 3 1340.9029197 -58516 30398 296      97 395        C-13-H3C-13-H2C-13-N
  810914.1660  0.0300 -3.6224 3 1340.9029197 -58516 30398 396      97 395        C-13-H3C-13-H2C-13-N
  810914.1660  0.0300 -3.6224 3 1340.9029197 -58516 30398 296      97 295        C-13-H3C-13-H2C-13-N
  810914.1660  0.0300 -4.6912 3 1340.9029197 -58516 30398 396      97 295        C-13-H3C-13-H2C-13-N
  811130.2710  0.0500 -4.7168 3 1839.0612189 -58516 303942866      932865        C-13-H3C-13-H2C-13-N
  811130.2710  0.0500 -4.7168 3 1839.0612189 -58516 303942867      932866        C-13-H3C-13-H2C-13-N
  811403.2780  0.0300 -3.7015 3 1367.7209189 -58516 303941283      931282        C-13-H3C-13-H2C-13-N
  811452.0320  0.0300 -3.7015 3 1367.7274189 -58516 303941282      931281        C-13-H3C-13-H2C-13-N
  811497.2241  0.0208 -4.8062 3 1880.6999189  58516 303942965      932964        C-13-H3C-13-H2C-13-N
  811497.2241  0.0208 -4.8062 3 1880.6999189  58516 303942966      932965        C-13-H3C-13-H2C-13-N
  811561.2574  0.0018 -3.3372 3  346.2321 91  58516 303451036      44 935        C-13-H3C-13-H2C-13-N
  811561.7380  0.0018 -3.3372 3  346.2321 91  58516 303451035      44 936        C-13-H3C-13-H2C-13-N
  811668.9700  0.0500 -3.8595 3  539.4104121 -58516 30360 753      59 654        C-13-H3C-13-H2C-13-N
  811852.4980  0.0500 -3.6728 3  498.4230115 -58516 30357 850      56 749        C-13-H3C-13-H2C-13-N
  811885.2935  0.0275 -4.8986 3 1923.6998189  58516 303943064      933063        C-13-H3C-13-H2C-13-N
  811885.2935  0.0275 -4.8986 3 1923.6998189  58516 303943065      933064        C-13-H3C-13-H2C-13-N
  812293.3649  0.0359 -4.9939 3 1968.0499189  58516 303943163      933162        C-13-H3C-13-H2C-13-N
  812293.3649  0.0359 -4.9939 3 1968.0499189  58516 303943164      933163        C-13-H3C-13-H2C-13-N
  812559.3590  0.0300 -3.6652 3 1351.4181189 -58516 303941184      931183        C-13-H3C-13-H2C-13-N
  812573.7297  0.1232 -5.2984 3  722.9137 77  58516 303382711      392614        C-13-H3C-13-H2C-13-N
  812573.7297  0.1232 -5.2984 3  722.9137 77  58516 303382712      392613        C-13-H3C-13-H2C-13-N
  812621.1117  0.0070 -4.6613 3 1348.4770199  58516 30399 198      98 297        C-13-H3C-13-H2C-13-N
  812621.1090  0.0300 -3.6314 3 1348.4770199 -58516 30399 298      98 297        C-13-H3C-13-H2C-13-N
  812621.1128  0.0070 -3.6314 3 1348.4770199  58516 30399 198      98 197        C-13-H3C-13-H2C-13-N
  812621.1136  0.0070 -4.6613 3 1348.4770199  58516 30399 298      98 197        C-13-H3C-13-H2C-13-N
  812720.4352  0.0466 -5.0921 3 2013.7393189  58516 303943262      933261        C-13-H3C-13-H2C-13-N
  812720.4352  0.0466 -5.0921 3 2013.7393189  58516 303943263      933262        C-13-H3C-13-H2C-13-N
  812802.2870  0.0300 -3.6035 3 1325.4393191 -58516 30395 789      94 788        C-13-H3C-13-H2C-13-N
  812986.1610  0.0300 -3.6649 3 1351.4825189 -58516 303941183      931182        C-13-H3C-13-H2C-13-N
  813165.6217  0.0599 -5.1932 3 2060.7570189  58516 303943361      933360        C-13-H3C-13-H2C-13-N
  813165.6217  0.0599 -5.1932 3 2060.7570189  58516 303943362      933361        C-13-H3C-13-H2C-13-N
  813433.6060  0.0300 -3.6050 3 1323.8469189 -58516 30394 986      93 985        C-13-H3C-13-H2C-13-N
  813480.3660  0.0300 -3.5578 3 1299.1533187 -58516 30393 984      92 983        C-13-H3C-13-H2C-13-N
  813628.1397  0.0763 -5.2972 3 2109.0917189  58516 303943460      933459        C-13-H3C-13-H2C-13-N
  813628.1397  0.0763 -5.2972 3 2109.0917189  58516 303943461      933460        C-13-H3C-13-H2C-13-N
  813630.0364  0.0037 -4.8589 3 1338.0920193  58516 30396 591      95 690        C-13-H3C-13-H2C-13-N
  813654.7610  0.0300 -3.2407 3  299.6621 81 -58516 303401130      391029        C-13-H3C-13-H2C-13-N
  813654.7610  0.0300 -3.2407 3  299.6621 81 -58516 303401129      391030        C-13-H3C-13-H2C-13-N
  813667.6060  0.0300 -3.6327 3 1336.8820189 -58516 303941085      931084        C-13-H3C-13-H2C-13-N
  813836.3250  0.0063 -4.8869 3 1298.2926189  58516 30394 788      93 687        C-13-H3C-13-H2C-13-N
  813922.7180  0.0300 -3.6017 3 1325.1815191 -58516 30395 689      94 688        C-13-H3C-13-H2C-13-N
  813986.8439  0.0167 -5.2252 3 1421.2096197  58516 30398 791      97 890        C-13-H3C-13-H2C-13-N
  814107.2859  0.0964 -5.4040 3 2158.7323189  58516 303943559      933558        C-13-H3C-13-H2C-13-N
  814107.2859  0.0964 -5.4040 3 2158.7323189  58516 303943560      933559        C-13-H3C-13-H2C-13-N
  814203.4830  0.0300 -3.6235 3 1338.0920193 -58516 30396 691      95 690        C-13-H3C-13-H2C-13-N
  814316.7910  0.0300 -3.6233 3 1338.0691193 -58516 30396 591      95 590        C-13-H3C-13-H2C-13-N
  814332.8900  0.0500 -3.6383 3 1355.0133201 -58516 303A0 0A0      99 099        C-13-H3C-13-H2C-13-N
  814332.8885  0.0102 -4.6340 3 1355.0133201  58516 303A0 0A0      99 199        C-13-H3C-13-H2C-13-N
  814332.8885  0.0102 -4.6340 3 1355.0133201  58516 303A0 1A0      99 099        C-13-H3C-13-H2C-13-N
  814332.8885  0.0102 -3.6383 3 1355.0133201  58516 303A0 1A0      99 199        C-13-H3C-13-H2C-13-N
  814347.5565  0.0816 -5.3838 3  632.2380 67  58516 3033326 7      342510        C-13-H3C-13-H2C-13-N
  814347.5565  0.0816 -5.3838 3  632.2380 67  58516 3033326 8      3425 9        C-13-H3C-13-H2C-13-N
  814462.9998  0.0168 -4.9729 3  238.9013 85  58516 30342 240      41 141        C-13-H3C-13-H2C-13-N
  814602.4247  0.1208 -5.5136 3 2209.6674189  58516 303943658      933657        C-13-H3C-13-H2C-13-N
  814602.4247  0.1208 -5.5136 3 2209.6674189  58516 303943659      933658        C-13-H3C-13-H2C-13-N
  814628.8253  0.0078 -5.3731 3  521.5348119  58516 30359 753      59 456        C-13-H3C-13-H2C-13-N
  814863.1510  0.0300 -3.1662 3  261.8363 71 -58516 303351223      341124        C-13-H3C-13-H2C-13-N
  814863.1510  0.0300 -3.1662 3  261.8363 71 -58516 303351224      341123        C-13-H3C-13-H2C-13-N
  814890.2401  0.0039 -4.8575 3 1338.0691193  58516 30396 691      95 590        C-13-H3C-13-H2C-13-N
  814921.4911  0.0029 -5.2070 3  171.3747 67  58516 30333 726      32 527        C-13-H3C-13-H2C-13-N
  815070.3647  0.3565 -5.5225 3 1031.1320105  58516 303523022      532925        C-13-H3C-13-H2C-13-N
  815070.3647  0.3565 -5.5225 3 1031.1320105  58516 303523023      532924        C-13-H3C-13-H2C-13-N
  815112.9768  0.1504 -5.6261 3 2261.8855189  58516 303943757      933756        C-13-H3C-13-H2C-13-N
  815112.9768  0.1504 -5.6261 3 2261.8855189  58516 303943758      933757        C-13-H3C-13-H2C-13-N
  815130.8210  0.0500 -4.4152 3  294.8796 39 -58516 3031919 0      1918 1        C-13-H3C-13-H2C-13-N
  815130.8210  0.0500 -4.4152 3  294.8796 39 -58516 3031919 1      1918 2        C-13-H3C-13-H2C-13-N
  815140.8169  0.0048 -4.9756 3 1352.5514193  58516 30396 690      95 789        C-13-H3C-13-H2C-13-N
  815193.7420  0.0300 -4.1365 3  300.6657 41 -58516 3032019 1      2018 2        C-13-H3C-13-H2C-13-N
  815193.7420  0.0300 -4.1365 3  300.6657 41 -58516 3032019 2      2018 3        C-13-H3C-13-H2C-13-N
  815259.4320  0.0300 -3.9826 3  306.7409 43 -58516 3032119 2      2118 3        C-13-H3C-13-H2C-13-N
  815259.4320  0.0300 -3.9826 3  306.7409 43 -58516 3032119 3      2118 4        C-13-H3C-13-H2C-13-N
  815326.1331  0.0050 -5.6118 3  116.9174 57  58516 30328 623      27 324        C-13-H3C-13-H2C-13-N
  815327.8950  0.0300 -3.8797 3  313.1052 45 -58516 3032219 3      2218 4        C-13-H3C-13-H2C-13-N
  815327.8950  0.0300 -3.8797 3  313.1052 45 -58516 3032219 4      2218 5        C-13-H3C-13-H2C-13-N
  815399.0920  0.0300 -3.8049 3  319.7585 47 -58516 3032319 4      2318 5        C-13-H3C-13-H2C-13-N
  815399.0920  0.0300 -3.8049 3  319.7585 47 -58516 3032319 5      2318 6        C-13-H3C-13-H2C-13-N
  815472.8160  0.0500 -3.7479 3  326.7007 49 -58516 3032419 5      2418 6        C-13-H3C-13-H2C-13-N
  815472.8160  0.0500 -3.7479 3  326.7007 49 -58516 3032419 6      2418 7        C-13-H3C-13-H2C-13-N
  815549.1720  0.0300 -3.7031 3  333.9319 51 -58516 3032519 6      2518 7        C-13-H3C-13-H2C-13-N
  815549.1720  0.0300 -3.7031 3  333.9319 51 -58516 3032519 7      2518 8        C-13-H3C-13-H2C-13-N
  815563.2380  0.0300 -3.1103 3  232.7078 61 -58516 303301317      291218        C-13-H3C-13-H2C-13-N
  815563.2380  0.0300 -3.1103 3  232.7078 61 -58516 303301318      291217        C-13-H3C-13-H2C-13-N
  815602.3058  0.0043 -4.8072 3 1349.3099195  58516 30397 493      96 592        C-13-H3C-13-H2C-13-N
  815628.0480  0.0300 -3.6675 3  341.4520 53 -58516 3032619 7      2618 8        C-13-H3C-13-H2C-13-N
  815628.0480  0.0300 -3.6675 3  341.4520 53 -58516 3032619 8      2618 9        C-13-H3C-13-H2C-13-N
  815636.4450  0.0300 -3.6405 3 1349.3099195 -58516 30397 593      96 592        C-13-H3C-13-H2C-13-N
  815643.9120  0.0300 -3.6404 3 1349.3085195 -58516 30397 493      96 492        C-13-H3C-13-H2C-13-N
  815678.0722  0.0043 -4.8071 3 1349.3085195  58516 30397 593      96 492        C-13-H3C-13-H2C-13-N
  815709.3800  0.0300 -3.6389 3  349.2610 55 -58516 3032719 8      2718 9        C-13-H3C-13-H2C-13-N
  815709.3800  0.0300 -3.6389 3  349.2610 55 -58516 3032719 9      271810        C-13-H3C-13-H2C-13-N
  815793.1210  0.0300 -3.6159 3  357.3588 57 -58516 3032819 9      281810        C-13-H3C-13-H2C-13-N
  815793.1210  0.0300 -3.6159 3  357.3588 57 -58516 303281910      281811        C-13-H3C-13-H2C-13-N
  815865.5880  0.0300 -3.4783 3  416.1117103 -58516 30351 943      50 842        C-13-H3C-13-H2C-13-N
  815879.1680  0.0300 -3.5976 3  365.7454 59 -58516 303291910      291811        C-13-H3C-13-H2C-13-N
  815879.1680  0.0300 -3.5976 3  365.7454 59 -58516 303291911      291812        C-13-H3C-13-H2C-13-N
  815926.9630  0.0300 -3.0700 3  212.2538 51 -58516 303251411      241312        C-13-H3C-13-H2C-13-N
  815926.9630  0.0300 -3.0700 3  212.2538 51 -58516 303251412      241311        C-13-H3C-13-H2C-13-N
  815942.9640  0.0300 -3.5372 3 1290.9281187 -58516 30393 885      92 884        C-13-H3C-13-H2C-13-N
  815954.3740  0.0300 -3.4782 3  416.1089103 -58516 30351 942      50 843        C-13-H3C-13-H2C-13-N
  815967.4710  0.0300 -3.5831 3  374.4207 61 -58516 303301911      301812        C-13-H3C-13-H2C-13-N
  815967.4710  0.0300 -3.5831 3  374.4207 61 -58516 303301912      301813        C-13-H3C-13-H2C-13-N
  816036.5720  0.0300 -3.0409 3  200.4638 41 -58516 3032015 5      1914 6        C-13-H3C-13-H2C-13-N
  816036.5720  0.0300 -3.0409 3  200.4638 41 -58516 3032015 6      1914 5        C-13-H3C-13-H2C-13-N
  816057.9960  0.0300 -3.5720 3  383.3847 63 -58516 303311912      311813        C-13-H3C-13-H2C-13-N
  816057.9960  0.0300 -3.5720 3  383.3847 63 -58516 303311913      311814        C-13-H3C-13-H2C-13-N
  816150.6030  0.0300 -3.5637 3  392.6374 65 -58516 303321913      321814        C-13-H3C-13-H2C-13-N
  816150.6030  0.0300 -3.5637 3  392.6374 65 -58516 303321914      321815        C-13-H3C-13-H2C-13-N
  816220.3140  0.0300 -3.5717 3 1309.6841189 -58516 30394 787      93 786        C-13-H3C-13-H2C-13-N
  816245.2580  0.0300 -3.5581 3  402.1787 67 -58516 303331914      331815        C-13-H3C-13-H2C-13-N
  816245.2580  0.0300 -3.5581 3  402.1787 67 -58516 303331915      331816        C-13-H3C-13-H2C-13-N
  816283.4085  0.0029 -5.2061 3  171.3291 67  58516 30333 727      32 528        C-13-H3C-13-H2C-13-N
  816301.5817  0.0064 -4.9003 3  424.4474109  58516 30354 549      53 350        C-13-H3C-13-H2C-13-N
  816331.4790  0.0300 -3.6309 3 1337.3727189 -58516 303941084      931083        C-13-H3C-13-H2C-13-N
  816341.8980  0.0300 -3.5547 3  412.0085 69 -58516 303341915      341816        C-13-H3C-13-H2C-13-N
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  817397.9490  0.0300 -3.6136 3  526.1640 89 -58516 303441926      441827        C-13-H3C-13-H2C-13-N
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  817510.5930  0.0300 -3.6267 3  539.1639 91 -58516 303451927      451828        C-13-H3C-13-H2C-13-N
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  817624.0710  0.0300 -3.6409 3  552.4517 93 -58516 303461928      461829        C-13-H3C-13-H2C-13-N
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  817641.0070  0.0300 -4.1520 3 1583.2567191 -58516 303952076      942075        C-13-H3C-13-H2C-13-N
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  817738.4390  0.0300 -3.6561 3  566.0272 95 -58516 303471929      471830        C-13-H3C-13-H2C-13-N
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  817791.1150  0.0300 -3.9225 3 1476.6339191 -58516 303951679      941678        C-13-H3C-13-H2C-13-N
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  817853.4360  0.0300 -3.6724 3  579.8903 97 -58516 303481930      481831        C-13-H3C-13-H2C-13-N
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  817919.5740  0.0300 -4.2854 3 1645.4240191 -58516 303952274      942273        C-13-H3C-13-H2C-13-N
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  817969.0620  0.0300 -3.6896 3  594.0411 99 -58516 303491931      491832        C-13-H3C-13-H2C-13-N
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  818058.7160  0.0300 -3.8731 3 1453.7716191 -58516 303951580      941579        C-13-H3C-13-H2C-13-N
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  818085.1290  0.0300 -3.7078 3  608.4793101 -58516 303501932      501833        C-13-H3C-13-H2C-13-N
  818119.9980  0.0300 -4.3568 3 1678.6735191 -58516 303952372      942371        C-13-H3C-13-H2C-13-N
  818119.9980  0.0300 -4.3568 3 1678.6735191 -58516 303952373      942372        C-13-H3C-13-H2C-13-N
  818201.5910  0.0300 -3.7270 3  623.2050103 -58516 303511932      511833        C-13-H3C-13-H2C-13-N
  818201.5910  0.0300 -3.7270 3  623.2050103 -58516 303511933      511834        C-13-H3C-13-H2C-13-N
  818318.3350  0.0300 -3.7470 3  638.2181105 -58516 303521933      521834        C-13-H3C-13-H2C-13-N
  818318.3350  0.0300 -3.7470 3  638.2181105 -58516 303521934      521835        C-13-H3C-13-H2C-13-N
  818355.2380  0.0300 -4.4312 3 1713.3511191 -58516 303952471      942470        C-13-H3C-13-H2C-13-N
  818355.2380  0.0300 -4.4312 3 1713.3511191 -58516 303952472      942471        C-13-H3C-13-H2C-13-N
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  818435.1910  0.0300 -3.7680 3  653.5184107 -58516 303531935      531836        C-13-H3C-13-H2C-13-N
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  818473.9204  0.0029 -3.8269 3 1432.4788191  58516 303951481      941480        C-13-H3C-13-H2C-13-N
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  818552.1310  0.0300 -3.7898 3  669.1059109 -58516 303541935      541836        C-13-H3C-13-H2C-13-N
  818552.1310  0.0300 -3.7898 3  669.1059109 -58516 303541936      541837        C-13-H3C-13-H2C-13-N
  818615.1370  0.0300 -3.6987 3  514.9891117 -58516 30358 851      57 750        C-13-H3C-13-H2C-13-N
  818621.8919  0.0075 -4.5086 3 1749.4453191  58516 303952570      942569        C-13-H3C-13-H2C-13-N
  818621.8919  0.0075 -4.5086 3 1749.4453191  58516 303952571      942570        C-13-H3C-13-H2C-13-N
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  818669.0060  0.0300 -3.8125 3  684.9805111 -58516 303551937      551838        C-13-H3C-13-H2C-13-N
  818785.6450  0.0300 -3.8361 3  701.1421113 -58516 303561937      561838        C-13-H3C-13-H2C-13-N
  818785.6450  0.0300 -3.8361 3  701.1421113 -58516 303561938      561839        C-13-H3C-13-H2C-13-N
  818896.6490  0.0300 -4.7340 3 1367.9521199 -58516 30399 297      98 396        C-13-H3C-13-H2C-13-N
  818896.6490  0.0300 -3.6661 3 1367.9521199 -58516 30399 397      98 396        C-13-H3C-13-H2C-13-N
  818896.6490  0.0300 -3.6661 3 1367.9521199 -58516 30399 297      98 296        C-13-H3C-13-H2C-13-N
  818896.6490  0.0300 -4.7340 3 1367.9521199 -58516 30399 397      98 296        C-13-H3C-13-H2C-13-N
  818902.0600  0.0300 -3.8605 3  717.5907115 -58516 303571938      571839        C-13-H3C-13-H2C-13-N
  818902.0600  0.0300 -3.8605 3  717.5907115 -58516 303571939      571840        C-13-H3C-13-H2C-13-N
  818917.3040  0.0500 -4.5890 3 1786.9451191 -58516 303952669      942668        C-13-H3C-13-H2C-13-N
  818917.3040  0.0500 -4.5890 3 1786.9451191 -58516 303952670      942669        C-13-H3C-13-H2C-13-N
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  819018.0080  0.0300 -3.8857 3  734.3260117 -58516 303581940      581841        C-13-H3C-13-H2C-13-N
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  819133.4360  0.0300 -3.9117 3  751.3482119 -58516 303591941      591842        C-13-H3C-13-H2C-13-N
  819160.5155  0.1801 -5.3273 3  809.4767 85  58516 303422814      432717        C-13-H3C-13-H2C-13-N
  819160.5155  0.1801 -5.3273 3  809.4767 85  58516 303422815      432716        C-13-H3C-13-H2C-13-N
  819238.8290  0.0130 -4.6725 3 1825.8395191  58516 303952768      942767        C-13-H3C-13-H2C-13-N
  819238.8290  0.0130 -4.6725 3 1825.8395191  58516 303952769      942768        C-13-H3C-13-H2C-13-N
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  819248.1890  0.0300 -3.9385 3  768.6570121 -58516 303601942      601843        C-13-H3C-13-H2C-13-N
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  819362.1450  0.0300 -3.9661 3  786.2524123 -58516 303611943      611844        C-13-H3C-13-H2C-13-N
  819475.2280  0.0300 -3.9945 3  804.1342125 -58516 303621943      621844        C-13-H3C-13-H2C-13-N
  819475.2280  0.0300 -3.9945 3  804.1342125 -58516 303621944      621845        C-13-H3C-13-H2C-13-N
  819493.5180  0.0127 -5.4481 3  730.9031139  58516 30369 960      69 663        C-13-H3C-13-H2C-13-N
  819584.9516  0.0172 -4.7589 3 1866.1176191  58516 303952867      942866        C-13-H3C-13-H2C-13-N
  819584.9516  0.0172 -4.7589 3 1866.1176191  58516 303952868      942867        C-13-H3C-13-H2C-13-N
  819587.2760  0.0300 -4.0237 3  822.3024127 -58516 303631944      631845        C-13-H3C-13-H2C-13-N
  819587.2760  0.0300 -4.0237 3  822.3024127 -58516 303631945      631846        C-13-H3C-13-H2C-13-N
  819698.1420  0.0300 -4.0536 3  840.7569129 -58516 303641945      641846        C-13-H3C-13-H2C-13-N
  819698.1420  0.0300 -4.0536 3  840.7569129 -58516 303641946      641847        C-13-H3C-13-H2C-13-N
  819807.7420  0.0300 -4.0843 3  859.4975131 -58516 303651946      651847        C-13-H3C-13-H2C-13-N
  819807.7420  0.0300 -4.0843 3  859.4975131 -58516 303651947      651848        C-13-H3C-13-H2C-13-N
  819836.9956  0.0074 -5.2700 3  270.8686 89  58516 30344 441      43 242        C-13-H3C-13-H2C-13-N
  819915.9510  0.0300 -4.1157 3  878.5242133 -58516 303661947      661848        C-13-H3C-13-H2C-13-N
  819915.9510  0.0300 -4.1157 3  878.5242133 -58516 303661948      661849        C-13-H3C-13-H2C-13-N
  819953.9397  0.0228 -4.8483 3 1907.7685191  58516 303952966      942965        C-13-H3C-13-H2C-13-N
  819953.9397  0.0228 -4.8483 3 1907.7685191  58516 303952967      942966        C-13-H3C-13-H2C-13-N
  819960.8826  0.0035 -4.9969 3  273.1352 87  58516 30343 638      42 439        C-13-H3C-13-H2C-13-N
  819977.9270  0.0300 -3.7443 3 1394.7864191 -58516 303951284      941283        C-13-H3C-13-H2C-13-N
  820022.5250  0.0300 -4.1479 3  897.8369135 -58516 303671948      671849        C-13-H3C-13-H2C-13-N
  820022.5250  0.0300 -4.1479 3  897.8369135 -58516 303671949      671850        C-13-H3C-13-H2C-13-N
  820029.6737  0.0018 -3.3508 3  359.2341 93  58516 303461037      45 936        C-13-H3C-13-H2C-13-N
  820030.3885  0.0018 -3.3508 3  359.2341 93  58516 303461036      45 937        C-13-H3C-13-H2C-13-N
  820038.0220  0.0300 -3.7442 3 1394.7945191 -58516 303951283      941282        C-13-H3C-13-H2C-13-N
  820127.5580  0.0300 -4.1808 3  917.4354137 -58516 303681949      681850        C-13-H3C-13-H2C-13-N
  820127.5580  0.0300 -4.1808 3  917.4354137 -58516 303681950      681851        C-13-H3C-13-H2C-13-N
  820136.2813  0.0042 -4.8025 3  462.7550113  58516 30356 650      55 451        C-13-H3C-13-H2C-13-N
  820230.7160  0.0300 -4.2144 3  937.3197139 -58516 303691950      691851        C-13-H3C-13-H2C-13-N
  820230.7160  0.0300 -4.2144 3  937.3197139 -58516 303691951      691852        C-13-H3C-13-H2C-13-N
  820249.0799  0.0074 -4.5663 3  270.8549 89  58516 30344 441      43 142        C-13-H3C-13-H2C-13-N
  820331.9460  0.0300 -4.2488 3  957.4897141 -58516 303701951      701852        C-13-H3C-13-H2C-13-N
  820331.9460  0.0300 -4.2488 3  957.4897141 -58516 303701952      701853        C-13-H3C-13-H2C-13-N
  820344.4240  0.0299 -4.9406 3 1950.7813191  58516 303953065      943064        C-13-H3C-13-H2C-13-N
  820344.4240  0.0299 -4.9406 3 1950.7813191  58516 303953066      943065        C-13-H3C-13-H2C-13-N
  820431.2200  0.0500 -4.2839 3  977.9451143 -58516 303711952      711853        C-13-H3C-13-H2C-13-N
  820431.2200  0.0500 -4.2839 3  977.9451143 -58516 303711953      711854        C-13-H3C-13-H2C-13-N
  820528.0120  0.0500 -4.3197 3  998.6860145 -58516 303721953      721854        C-13-H3C-13-H2C-13-N
  820528.0120  0.0500 -4.3197 3  998.6860145 -58516 303721954      721855        C-13-H3C-13-H2C-13-N
  820530.2676  0.0060 -4.9241 3 1325.1815191  58516 30395 789      94 688        C-13-H3C-13-H2C-13-N
  820606.0492  0.0071 -4.7046 3 1375.5831201  58516 303A0 199      99 298        C-13-H3C-13-H2C-13-N
  820606.0060  0.0500 -3.6753 3 1375.5831201 -58516 303A0 299      99 298        C-13-H3C-13-H2C-13-N
  820606.0500  0.0071 -3.6753 3 1375.5831201  58516 303A0 199      99 198        C-13-H3C-13-H2C-13-N
  820606.0507  0.0071 -4.7046 3 1375.5831201  58516 303A0 299      99 198        C-13-H3C-13-H2C-13-N
  820622.6130  0.0300 -4.3562 3 1019.7122147 -58516 303731954      731855        C-13-H3C-13-H2C-13-N
  820622.6130  0.0300 -4.3562 3 1019.7122147 -58516 303731955      731856        C-13-H3C-13-H2C-13-N
  820714.6780  0.0300 -4.3934 3 1041.0236149 -58516 303741955      741856        C-13-H3C-13-H2C-13-N
  820714.6780  0.0300 -4.3934 3 1041.0236149 -58516 303741956      741857        C-13-H3C-13-H2C-13-N
  820755.2233  0.0390 -5.0359 3 1995.1451191  58516 303953164      943163        C-13-H3C-13-H2C-13-N
  820755.2233  0.0390 -5.0359 3 1995.1451191  58516 303953165      943164        C-13-H3C-13-H2C-13-N
  820781.2980  0.0300 -3.6472 3 1352.5514193 -58516 30396 790      95 789        C-13-H3C-13-H2C-13-N
  820804.1230  0.0300 -4.4313 3 1062.6201151 -58516 303751956      751857        C-13-H3C-13-H2C-13-N
  820804.1230  0.0300 -4.4313 3 1062.6201151 -58516 303751957      751858        C-13-H3C-13-H2C-13-N
  820890.8310  0.0300 -4.4699 3 1084.5016153 -58516 303761957      761858        C-13-H3C-13-H2C-13-N
  820890.8310  0.0300 -4.4699 3 1084.5016153 -58516 303761958      761859        C-13-H3C-13-H2C-13-N
  820974.6572  0.0053 -4.5093 3 1106.6678155  58516 303771958      771859        C-13-H3C-13-H2C-13-N
  820974.6572  0.0053 -4.5093 3 1106.6678155  58516 303771959      771860        C-13-H3C-13-H2C-13-N
  821049.5797  0.0072 -4.3798 3  357.7391101  58516 30350 446      49 347        C-13-H3C-13-H2C-13-N
  821055.3900  0.0500 -4.5493 3 1129.1188157 -58516 303781959      781860        C-13-H3C-13-H2C-13-N
  821055.3900  0.0500 -4.5493 3 1129.1188157 -58516 303781960      781861        C-13-H3C-13-H2C-13-N
  821070.1164  0.1232 -5.3273 3  711.6056 75  58516 303372710      382613        C-13-H3C-13-H2C-13-N
  821070.1164  0.1232 -5.3273 3  711.6056 75  58516 303372711      382612        C-13-H3C-13-H2C-13-N
  821132.9184  0.0059 -4.5900 3 1151.8544159  58516 303791960      791861        C-13-H3C-13-H2C-13-N
  821132.9184  0.0059 -4.5900 3 1151.8544159  58516 303791961      791862        C-13-H3C-13-H2C-13-N
  821162.1990  0.0300 -3.7081 3 1378.5221191 -58516 303951185      941184        C-13-H3C-13-H2C-13-N
  821185.3080  0.0504 -5.1341 3 2040.8488191  58516 303953263      943262        C-13-H3C-13-H2C-13-N
  821185.3080  0.0504 -5.1341 3 2040.8488191  58516 303953264      943263        C-13-H3C-13-H2C-13-N
  821207.1035  0.0063 -4.6313 3 1174.8745161  58516 303801961      801862        C-13-H3C-13-H2C-13-N
  821207.1035  0.0063 -4.6313 3 1174.8745161  58516 303801962      801863        C-13-H3C-13-H2C-13-N
  821277.7962  0.0066 -4.6734 3 1198.1789163  58516 303811962      811863        C-13-H3C-13-H2C-13-N
  821277.7962  0.0066 -4.6734 3 1198.1789163  58516 303811963      811864        C-13-H3C-13-H2C-13-N
  821344.8330  0.0500 -4.7161 3 1221.7675165 -58516 303821963      821864        C-13-H3C-13-H2C-13-N
  821344.8330  0.0500 -4.7161 3 1221.7675165 -58516 303821964      821865        C-13-H3C-13-H2C-13-N
  821408.0860  0.0500 -4.7596 3 1245.6403167 -58516 303831964      831865        C-13-H3C-13-H2C-13-N
  821408.0860  0.0500 -4.7596 3 1245.6403167 -58516 303831965      831866        C-13-H3C-13-H2C-13-N
  821467.4341  0.0079 -4.8037 3 1269.7969169  58516 303841965      841866        C-13-H3C-13-H2C-13-N
  821467.4341  0.0079 -4.8037 3 1269.7969169  58516 303841966      841867        C-13-H3C-13-H2C-13-N
  821522.6657  0.0084 -4.8484 3 1294.2375171  58516 303851966      851867        C-13-H3C-13-H2C-13-N
  821522.6657  0.0084 -4.8484 3 1294.2375171  58516 303851967      851868        C-13-H3C-13-H2C-13-N
  821573.6534  0.0089 -4.8938 3 1318.9617173  58516 303861967      861868        C-13-H3C-13-H2C-13-N
  821573.6534  0.0089 -4.8938 3 1318.9617173  58516 303861968      861869        C-13-H3C-13-H2C-13-N
  821620.2435  0.0094 -4.9399 3 1343.9694175  58516 303871968      871869        C-13-H3C-13-H2C-13-N
  821620.2435  0.0094 -4.9399 3 1343.9694175  58516 303871969      871870        C-13-H3C-13-H2C-13-N
  821633.7722  0.0646 -5.2351 3 2087.8813191  58516 303953362      943361        C-13-H3C-13-H2C-13-N
  821633.7722  0.0646 -5.2351 3 2087.8813191  58516 303953363      943362        C-13-H3C-13-H2C-13-N
  821662.2810  0.0099 -4.9867 3 1369.2606177  58516 303881969      881870        C-13-H3C-13-H2C-13-N
  821662.2810  0.0099 -4.9867 3 1369.2606177  58516 303881970      881871        C-13-H3C-13-H2C-13-N
  821673.2880  0.0500 -3.7077 3 1378.6008191 -58516 303951184      941183        C-13-H3C-13-H2C-13-N
  821683.0063  0.0038 -4.8987 3 1365.2509195  58516 30397 592      96 691        C-13-H3C-13-H2C-13-N
  821699.6098  0.0104 -5.0341 3 1394.8351179  58516 303891970      891871        C-13-H3C-13-H2C-13-N
  821699.6098  0.0104 -5.0341 3 1394.8351179  58516 303891971      891872        C-13-H3C-13-H2C-13-N
  821732.0727  0.0110 -5.0822 3 1420.6927181  58516 303901971      901872        C-13-H3C-13-H2C-13-N
  821732.0727  0.0110 -5.0822 3 1420.6927181  58516 303901972      901873        C-13-H3C-13-H2C-13-N
  821748.3830  0.0500 -3.6457 3 1352.3310193 -58516 30396 690      95 689        C-13-H3C-13-H2C-13-N
  821753.5939  0.0162 -5.5990 3 1694.8099201  58516 303A01981      A01882        C-13-H3C-13-H2C-13-N
  821753.5939  0.0162 -5.5990 3 1694.8099201  58516 303A01982      A01883        C-13-H3C-13-H2C-13-N
  821759.5112  0.0115 -5.1310 3 1446.8333183  58516 303911972      911873        C-13-H3C-13-H2C-13-N
  821759.5112  0.0115 -5.1310 3 1446.8333183  58516 303911973      911874        C-13-H3C-13-H2C-13-N
  821778.7129  0.0157 -5.5444 3 1666.1288199  58516 303991980      991881        C-13-H3C-13-H2C-13-N
  821778.7130  0.0157 -5.5444 3 1666.1288199  58516 303991981      991882        C-13-H3C-13-H2C-13-N
  821781.7655  0.0121 -5.1804 3 1473.2568185  58516 303921973      921874        C-13-H3C-13-H2C-13-N
  821781.7655  0.0121 -5.1804 3 1473.2568185  58516 303921974      921875        C-13-H3C-13-H2C-13-N
  821797.3245  0.0152 -5.4904 3 1637.7295197  58516 303981979      981880        C-13-H3C-13-H2C-13-N
  821797.3245  0.0152 -5.4904 3 1637.7295197  58516 303981980      981881        C-13-H3C-13-H2C-13-N
  821798.6747  0.0126 -5.2304 3 1499.9629187  58516 303931974      931875        C-13-H3C-13-H2C-13-N
  821798.6747  0.0126 -5.2304 3 1499.9629187  58516 303931975      931876        C-13-H3C-13-H2C-13-N
  821809.5986  0.0147 -5.4371 3 1609.6119195  58516 303971978      971879        C-13-H3C-13-H2C-13-N
  821809.5986  0.0147 -5.4371 3 1609.6119195  58516 303971979      971880        C-13-H3C-13-H2C-13-N
  821809.6570  0.0500 -3.6482 3 1350.9801191 -58516 30395 987      94 986        C-13-H3C-13-H2C-13-N
  821810.0767  0.0132 -5.2811 3 1526.9517189  58516 303941975      941876        C-13-H3C-13-H2C-13-N
  821810.0767  0.0132 -5.2811 3 1526.9517189  58516 303941976      941877        C-13-H3C-13-H2C-13-N
  821815.7040  0.0142 -5.3845 3 1581.7763193  58516 303961977      961878        C-13-H3C-13-H2C-13-N
  821815.7040  0.0142 -5.3845 3 1581.7763193  58516 303961978      961879        C-13-H3C-13-H2C-13-N
  821815.8080  0.0137 -5.3325 3 1554.2229191  58516 303951976      951877        C-13-H3C-13-H2C-13-N
  821815.8080  0.0137 -5.3325 3 1554.2229191  58516 303951977      951878        C-13-H3C-13-H2C-13-N
  822073.9176  0.0041 -4.4011 3  290.9005 91  58516 30345 541      44 242        C-13-H3C-13-H2C-13-N
  822099.8114  0.0820 -5.3390 3 2136.2314191  58516 303953461      943460        C-13-H3C-13-H2C-13-N
  822099.8114  0.0820 -5.3390 3 2136.2314191  58516 303953462      943461        C-13-H3C-13-H2C-13-N
  822161.4520  0.0500 -3.6673 3 1365.2509195 -58516 30397 692      96 691        C-13-H3C-13-H2C-13-N
  822185.6542  0.0164 -4.9685 3  238.9007 85  58516 30342 340      41 041        C-13-H3C-13-H2C-13-N
  822230.1180  0.0300 -3.6758 3 1364.0231191 -58516 303951086      941085        C-13-H3C-13-H2C-13-N
  822243.6160  0.0300 -3.2508 3  311.2134 83 -58516 303411131      401030        C-13-H3C-13-H2C-13-N
  822243.6160  0.0300 -3.2508 3  311.2134 83 -58516 303411130      401031        C-13-H3C-13-H2C-13-N
  822256.4480  0.0300 -3.6672 3 1365.2318195 -58516 30397 592      96 591        C-13-H3C-13-H2C-13-N
  822319.4030  0.0500 -3.6824 3 1382.1765203 -58516 303A1 0A1      A0 0A0        C-13-H3C-13-H2C-13-N
  822319.4030  0.0500 -4.6779 3 1382.1765203 -58516 303A1 0A1      A0 1A0        C-13-H3C-13-H2C-13-N
  822319.4030  0.0500 -4.6779 3 1382.1765203 -58516 303A1 1A1      A0 0A0        C-13-H3C-13-H2C-13-N
  822319.4030  0.0500 -3.6824 3 1382.1765203 -58516 303A1 1A1      A0 1A0        C-13-H3C-13-H2C-13-N
  822472.4893  0.0029 -5.1835 3  180.9533 69  58516 30334 727      33 528        C-13-H3C-13-H2C-13-N
  822554.5960  0.0300 -3.6003 3 1326.2881189 -58516 30394 985      93 984        C-13-H3C-13-H2C-13-N
  822582.7046  0.1032 -5.4458 3 2185.8880191  58516 303953560      943559        C-13-H3C-13-H2C-13-N
  822582.7046  0.1032 -5.4458 3 2185.8880191  58516 303953561      943560        C-13-H3C-13-H2C-13-N
  822734.8874  0.0040 -4.8975 3 1365.2318195  58516 30397 692      96 591        C-13-H3C-13-H2C-13-N
  822822.0071  0.0051 -5.4608 3  319.2448 91  58516 30345 837      45 540        C-13-H3C-13-H2C-13-N
  822876.6456  0.0817 -5.4507 3  622.3805 65  58516 3033226 6      3325 9        C-13-H3C-13-H2C-13-N
  822876.6456  0.0817 -5.4507 3  622.3805 65  58516 3033226 7      3325 8        C-13-H3C-13-H2C-13-N
  823081.8005  0.1290 -5.5554 3 2236.8396191  58516 303953659      943658        C-13-H3C-13-H2C-13-N
  823081.8005  0.1290 -5.5554 3 2236.8396191  58516 303953660      943659        C-13-H3C-13-H2C-13-N
  823090.4190  0.0050 -5.4690 3  133.7231 61  58516 30330 625      29 326        C-13-H3C-13-H2C-13-N
  823153.0908  0.0070 -5.0837 3  357.6690101  58516 30350 446      49 247        C-13-H3C-13-H2C-13-N
  823264.4280  0.0300 -4.0578 3  513.7031119 -58516 30359 653      58 554        C-13-H3C-13-H2C-13-N
  823419.7950  0.0300 -3.8938 3  556.7863123 -58516 30361 754      60 655        C-13-H3C-13-H2C-13-N
  823459.7787  0.3565 -5.5114 3 1015.7636103  58516 303513021      522924        C-13-H3C-13-H2C-13-N
  823459.7787  0.3565 -5.5114 3 1015.7636103  58516 303513022      522923        C-13-H3C-13-H2C-13-N
  823514.4690  0.0300 -3.1730 3  271.9425 73 -58516 303361224      351125        C-13-H3C-13-H2C-13-N
  823514.4690  0.0300 -3.1730 3  271.9425 73 -58516 303361225      351124        C-13-H3C-13-H2C-13-N
  823522.7940  0.0034 -5.5922 3   99.8868 47  58516 30323 815      22 616        C-13-H3C-13-H2C-13-N
  823523.7132  0.0034 -5.5922 3   99.8868 47  58516 30323 816      22 617        C-13-H3C-13-H2C-13-N
  823575.7132  0.0044 -4.8488 3 1376.5166197  58516 30398 494      97 593        C-13-H3C-13-H2C-13-N
  823603.7050  0.0300 -3.6845 3 1376.5166197 -58516 30398 594      97 593        C-13-H3C-13-H2C-13-N
  823609.8480  0.0300 -3.6845 3 1376.5154197 -58516 30398 494      97 493        C-13-H3C-13-H2C-13-N
  823637.8729  0.0045 -4.8487 3 1376.5154197  58516 30398 594      97 493        C-13-H3C-13-H2C-13-N
  823694.3127  0.0062 -5.3627 3  153.4778 67  58516 30333 528      32 231        C-13-H3C-13-H2C-13-N
  823860.8830  0.0300 -3.6160 3 1336.9102191 -58516 30395 788      94 787        C-13-H3C-13-H2C-13-N
  823943.5979  0.0046 -5.0124 3 1379.9297195  58516 30397 691      96 790        C-13-H3C-13-H2C-13-N
  824039.1820  0.0300 -3.4970 3  430.8680105 -58516 30352 944      51 843        C-13-H3C-13-H2C-13-N
  824159.4920  0.0300 -3.4969 3  430.8642105 -58516 30352 943      51 844        C-13-H3C-13-H2C-13-N
  824247.0890  0.0300 -3.1142 3  241.3713 63 -58516 303311318      301219        C-13-H3C-13-H2C-13-N
  824247.0890  0.0300 -3.1142 3  241.3713 63 -58516 303311319      301218        C-13-H3C-13-H2C-13-N
  824268.0480  0.0300 -3.5807 3 1318.1450189 -58516 30394 886      93 885        C-13-H3C-13-H2C-13-N
  824291.3129  0.0029 -5.1824 3  180.8924 69  58516 30334 728      33 529        C-13-H3C-13-H2C-13-N
  824422.5166  0.0082 -5.3946 3  538.6054121  58516 30360 754      60 457        C-13-H3C-13-H2C-13-N
  824437.2024  0.0111 -5.5447 3  494.8184117  58516 30358 653      58 356        C-13-H3C-13-H2C-13-N
  824626.6330  0.0300 -3.0714 3  219.4753 53 -58516 303261412      251313        C-13-H3C-13-H2C-13-N
  824626.6330  0.0300 -3.0714 3  219.4753 53 -58516 303261413      251312        C-13-H3C-13-H2C-13-N
  824637.8080  0.0300 -3.0149 3  201.6697 33 -58516 3031616 0      1515 1        C-13-H3C-13-H2C-13-N
  824637.8080  0.0300 -3.0149 3  201.6697 33 -58516 3031616 1      1515 0        C-13-H3C-13-H2C-13-N
  824742.0640  0.0300 -3.0408 3  206.2429 43 -58516 3032115 6      2014 7        C-13-H3C-13-H2C-13-N
  824742.0640  0.0300 -3.0408 3  206.2429 43 -58516 3032115 7      2014 6        C-13-H3C-13-H2C-13-N
  825141.6458  0.0024 -3.7257 3  531.8540119  58516 30359 852      58 751        C-13-H3C-13-H2C-13-N
  825196.3127  0.0050 -4.8099 3 1386.4824199  58516 30399 396      98 495        C-13-H3C-13-H2C-13-N
  825197.5840  0.0500 -3.6987 3 1386.4824199 -58516 30399 496      98 495        C-13-H3C-13-H2C-13-N
  825197.7198  0.0050 -3.6987 3 1386.4823199  58516 30399 396      98 395        C-13-H3C-13-H2C-13-N
  825198.8578  0.0050 -4.8099 3 1386.4823199  58516 30399 496      98 395        C-13-H3C-13-H2C-13-N
  825290.7040  0.0300 -3.6738 3 1364.6026191 -58516 303951085      941084        C-13-H3C-13-H2C-13-N
  825529.7450  0.0300 -3.6933 3  514.7840117 -58516 30358 850      57 751        C-13-H3C-13-H2C-13-N
  825587.2211  0.2563 -5.3985 3  902.0685 93  58516 303462917      472820        C-13-H3C-13-H2C-13-N
  825587.2211  0.2563 -5.3985 3  902.0685 93  58516 303462918      472819        C-13-H3C-13-H2C-13-N
  825597.7657  0.0155 -5.2558 3 1449.3214199  58516 30399 792      98 891        C-13-H3C-13-H2C-13-N
  826031.6760  0.0300 -4.1331 3 1581.6357193 -58516 303961977      951976        C-13-H3C-13-H2C-13-N
  826031.6760  0.0300 -4.1331 3 1581.6357193 -58516 303961978      951977        C-13-H3C-13-H2C-13-N
  826031.6760  0.0300 -4.0742 3 1554.2229193 -58516 303961878      951877        C-13-H3C-13-H2C-13-N
  826031.6760  0.0300 -4.0742 3 1554.2229193 -58516 303961879      951878        C-13-H3C-13-H2C-13-N
  826093.2420  0.0300 -4.1952 3 1610.5303193 -58516 303962076      952075        C-13-H3C-13-H2C-13-N
  826093.2420  0.0300 -4.1952 3 1610.5303193 -58516 303962077      952076        C-13-H3C-13-H2C-13-N
  826106.0260  0.0300 -4.0185 3 1528.3086193 -58516 303961780      951779        C-13-H3C-13-H2C-13-N
  826106.0260  0.0300 -4.0185 3 1528.3086193 -58516 303961779      951778        C-13-H3C-13-H2C-13-N
  826207.4100  0.0500 -4.2603 3 1640.8918193 -58516 303962175      952174        C-13-H3C-13-H2C-13-N
  826207.4100  0.0500 -4.2603 3 1640.8918193 -58516 303962176      952175        C-13-H3C-13-H2C-13-N
  826271.6180  0.0300 -3.9659 3 1503.9125193 -58516 303961681      951680        C-13-H3C-13-H2C-13-N
  826271.6180  0.0300 -3.9659 3 1503.9125193 -58516 303961680      951679        C-13-H3C-13-H2C-13-N
  826366.7020  0.0300 -4.3286 3 1672.7069193 -58516 303962274      952273        C-13-H3C-13-H2C-13-N
  826366.7020  0.0300 -4.3286 3 1672.7069193 -58516 303962275      952274        C-13-H3C-13-H2C-13-N
  826553.0650  0.0300 -3.9165 3 1481.0591193 -58516 303961582      951581        C-13-H3C-13-H2C-13-N
  826553.0650  0.0300 -3.9165 3 1481.0591193 -58516 303961581      951580        C-13-H3C-13-H2C-13-N
  826564.0552  0.0050 -5.3996 3  142.5757 63  58516 30331 626      30 327        C-13-H3C-13-H2C-13-N
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  827067.5937  0.0081 -4.5516 3 1776.7516193  58516 303962572      952571        C-13-H3C-13-H2C-13-N
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  827628.0667  0.1801 -5.3404 3  797.0072 83  58516 303412813      422716        C-13-H3C-13-H2C-13-N
  827628.0667  0.1801 -5.3404 3  797.0072 83  58516 303412814      422715        C-13-H3C-13-H2C-13-N
  827634.6360  0.0300 -3.8274 3 1440.1199193 -58516 303961383      951382        C-13-H3C-13-H2C-13-N
  827686.4708  0.0142 -4.7155 3 1853.1664193  58516 303962769      952768        C-13-H3C-13-H2C-13-N
  827686.4708  0.0142 -4.7155 3 1853.1664193  58516 303962770      952769        C-13-H3C-13-H2C-13-N
  828034.2328  0.0189 -4.8018 3 1893.4560193  58516 303962868      952867        C-13-H3C-13-H2C-13-N
  828034.2328  0.0189 -4.8018 3 1893.4560193  58516 303962869      952868        C-13-H3C-13-H2C-13-N
  828217.8416  0.0050 -5.4826 3  306.0521 89  58516 30344 836      44 539        C-13-H3C-13-H2C-13-N
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  828405.2445  0.0249 -4.8912 3 1935.1193193  58516 303962968      952967        C-13-H3C-13-H2C-13-N
  828481.2676  0.0018 -3.3653 3  372.5257 95  58516 303471038      46 937        C-13-H3C-13-H2C-13-N
  828482.3208  0.0018 -3.3653 3  372.5256 95  58516 303471037      46 938        C-13-H3C-13-H2C-13-N
  828522.5551  0.0072 -4.2247 3  440.2515111  58516 30355 550      54 451        C-13-H3C-13-H2C-13-N
  828550.5620  0.0300 -3.7878 3 1422.1380193 -58516 303961285      951284        C-13-H3C-13-H2C-13-N
  828587.3950  0.0300 -4.7487 3 1402.9556203 -58516 303A1 1A0      A0 299        C-13-H3C-13-H2C-13-N
  828587.3950  0.0300 -3.7199 3 1402.9556203 -58516 303A1 2A0      A0 299        C-13-H3C-13-H2C-13-N
  828587.3950  0.0300 -3.7199 3 1402.9556203 -58516 303A1 1A0      A0 199        C-13-H3C-13-H2C-13-N
  828587.3950  0.0300 -4.7487 3 1402.9556203 -58516 303A1 2A0      A0 199        C-13-H3C-13-H2C-13-N
  828619.1387  0.0093 -4.5973 3  295.7474 93  58516 30346 343      45 244        C-13-H3C-13-H2C-13-N
  828624.4140  0.0300 -3.7878 3 1422.1480193 -58516 303961284      951283        C-13-H3C-13-H2C-13-N
  828751.3290  0.0300 -3.6915 3 1379.9297195 -58516 30397 791      96 790        C-13-H3C-13-H2C-13-N
  828798.0995  0.0327 -4.9835 3 1978.1451193  58516 303963066      953065        C-13-H3C-13-H2C-13-N
  828798.0995  0.0327 -4.9835 3 1978.1451193  58516 303963067      953066        C-13-H3C-13-H2C-13-N
  828884.3047  0.0092 -5.3070 3  295.7385 93  58516 30346 343      45 144        C-13-H3C-13-H2C-13-N
  829211.5848  0.0424 -5.0787 3 2022.5225193  58516 303963165      953164        C-13-H3C-13-H2C-13-N
  829211.5848  0.0424 -5.0787 3 2022.5225193  58516 303963166      953165        C-13-H3C-13-H2C-13-N
  829271.8920  0.0119 -5.4500 3  710.6107137  58516 30368 959      68 662        C-13-H3C-13-H2C-13-N
  829572.7095  0.1233 -5.3633 3  700.5866 73  58516 3033627 9      372612        C-13-H3C-13-H2C-13-N
  829572.7095  0.1233 -5.3633 3  700.5866 73  58516 303362710      372611        C-13-H3C-13-H2C-13-N
  829584.0800  0.0300 -3.6903 3 1379.7416195 -58516 30397 691      96 690        C-13-H3C-13-H2C-13-N
  829644.6440  0.0546 -5.1768 3 2068.2406193  58516 303963264      953263        C-13-H3C-13-H2C-13-N
  829644.6440  0.0546 -5.1768 3 2068.2406193  58516 303963265      953264        C-13-H3C-13-H2C-13-N
  829716.7378  0.0040 -4.9393 3 1392.6753197  58516 30398 593      97 692        C-13-H3C-13-H2C-13-N
  829760.5530  0.0300 -3.7517 3 1405.9131193 -58516 303961186      951185        C-13-H3C-13-H2C-13-N
  829827.1069  0.0049 -5.3312 3  151.7260 65  58516 30332 627      31 328        C-13-H3C-13-H2C-13-N
  829861.4262  0.0029 -5.1618 3  190.8276 71  58516 30335 728      34 529        C-13-H3C-13-H2C-13-N
  830096.3479  0.0696 -5.2778 3 2115.2880193  58516 303963363      953362        C-13-H3C-13-H2C-13-N
  830096.3479  0.0696 -5.2778 3 2115.2880193  58516 303963364      953363        C-13-H3C-13-H2C-13-N
  830115.6750  0.0300 -3.7119 3 1392.6753197 -58516 30398 693      97 692        C-13-H3C-13-H2C-13-N
  830159.6030  0.0300 -3.6922 3 1378.3928193 -58516 30396 988      95 987        C-13-H3C-13-H2C-13-N
  830195.2020  0.0300 -3.7118 3 1392.6593197 -58516 30398 593      97 592        C-13-H3C-13-H2C-13-N
  830302.3220  0.0500 -3.7271 3 1409.6062205 -58516 303A2 0A2      A1 0A1        C-13-H3C-13-H2C-13-N
  830302.3220  0.0500 -4.7225 3 1409.6062205 -58516 303A2 0A2      A1 1A1        C-13-H3C-13-H2C-13-N
  830302.3220  0.0500 -4.7225 3 1409.6062205 -58516 303A2 1A2      A1 0A1        C-13-H3C-13-H2C-13-N
  830302.3220  0.0500 -3.7271 3 1409.6062205 -58516 303A2 1A2      A1 1A1        C-13-H3C-13-H2C-13-N
  830370.2450  0.0300 -3.7513 3 1406.0089193 -58516 303961185      951184        C-13-H3C-13-H2C-13-N
  830565.8715  0.0880 -5.3817 3 2163.6537193  58516 303963462      953461        C-13-H3C-13-H2C-13-N
  830565.8715  0.0880 -5.3817 3 2163.6537193  58516 303963463      953462        C-13-H3C-13-H2C-13-N
  830594.0860  0.0042 -4.9384 3 1392.6593197  58516 30398 693      97 592        C-13-H3C-13-H2C-13-N
  830659.0448  0.0036 -4.9920 3  285.5353 89  58516 30344 639      43 440        C-13-H3C-13-H2C-13-N
  830777.7190  0.0300 -3.7196 3 1391.4497193 -58516 303961087      951086        C-13-H3C-13-H2C-13-N
  830823.3680  0.0300 -3.2616 3  323.0535 85 -58516 303421132      411031        C-13-H3C-13-H2C-13-N
  830823.3680  0.0300 -3.2616 3  323.0535 85 -58516 303421131      411032        C-13-H3C-13-H2C-13-N
  831052.4761  0.1105 -5.4884 3 2213.3264193  58516 303963561      953560        C-13-H3C-13-H2C-13-N
  831052.4761  0.1105 -5.4884 3 2213.3264193  58516 303963562      953561        C-13-H3C-13-H2C-13-N
  831402.6290  0.0300 -3.7539 3  549.0189121 -58516 30360 853      59 752        C-13-H3C-13-H2C-13-N
  831411.5701  0.0818 -5.5337 3  612.8122 63  58516 3033126 5      3225 8        C-13-H3C-13-H2C-13-N
  831411.5701  0.0818 -5.5337 3  612.8122 63  58516 3033126 6      3225 7        C-13-H3C-13-H2C-13-N
  831419.0476  0.0044 -4.8148 3  479.0897115  58516 30357 651      56 452        C-13-H3C-13-H2C-13-N
  831491.2140  0.0300 -3.6609 3 1364.3913193 -58516 30396 789      95 788        C-13-H3C-13-H2C-13-N
  831544.6563  0.0047 -4.8911 3 1403.9890199  58516 30399 495      98 594        C-13-H3C-13-H2C-13-N
  831555.4944  0.1376 -5.5979 3 2264.2947193  58516 303963660      953659        C-13-H3C-13-H2C-13-N
  831555.4944  0.1376 -5.5979 3 2264.2947193  58516 303963661      953660        C-13-H3C-13-H2C-13-N
  831567.6290  0.0300 -3.7292 3 1403.9890199 -58516 30399 595      98 594        C-13-H3C-13-H2C-13-N
  831572.6620  0.0300 -3.7292 3 1403.9881199 -58516 30399 495      98 494        C-13-H3C-13-H2C-13-N
  831591.4080  0.0300 -3.6435 3 1353.7256191 -58516 30395 986      94 985        C-13-H3C-13-H2C-13-N
  831595.6358  0.0047 -4.8910 3 1403.9881199  58516 30399 595      98 494        C-13-H3C-13-H2C-13-N
  831856.4920  0.3566 -5.5025 3 1000.6832101  58516 303503020      512923        C-13-H3C-13-H2C-13-N
  831856.4920  0.3566 -5.5025 3 1000.6832101  58516 303503021      512922        C-13-H3C-13-H2C-13-N
  832055.3870  0.0034 -5.5473 3  106.5329 49  58516 30324 816      23 617        C-13-H3C-13-H2C-13-N
  832056.9482  0.0034 -5.5473 3  106.5329 49  58516 30324 817      23 618        C-13-H3C-13-H2C-13-N
  832161.0370  0.0300 -3.1805 3  282.3373 75 -58516 303371225      361126        C-13-H3C-13-H2C-13-N
  832161.0370  0.0300 -3.1805 3  282.3373 75 -58516 303371226      361125        C-13-H3C-13-H2C-13-N
  832173.2220  0.0300 -3.5166 3  445.9153107 -58516 30353 945      52 844        C-13-H3C-13-H2C-13-N
  832264.5822  0.0029 -5.1603 3  190.7471 71  58516 30335 729      34 530        C-13-H3C-13-H2C-13-N
  832335.0590  0.0300 -3.5164 3  445.9103107 -58516 30353 944      52 845        C-13-H3C-13-H2C-13-N
  832509.1800  0.0300 -3.6250 3 1345.6396191 -58516 30395 887      94 886        C-13-H3C-13-H2C-13-N
  832620.8789  0.0045 -5.0504 3 1407.5739197  58516 30398 692      97 791        C-13-H3C-13-H2C-13-N
  832928.8540  0.0300 -3.1187 3  250.3234 65 -58516 303321319      311220        C-13-H3C-13-H2C-13-N
  832928.8540  0.0300 -3.1187 3  250.3234 65 -58516 303321320      311219        C-13-H3C-13-H2C-13-N
  832932.3489  0.0049 -5.2639 3  161.1727 67  58516 30333 628      32 329        C-13-H3C-13-H2C-13-N
  832953.6978  0.0044 -5.0633 3  303.8677 93  58516 30346 542      45 343        C-13-H3C-13-H2C-13-N
  833138.8938  0.0049 -5.5059 3  293.1655 87  58516 30343 835      43 538        C-13-H3C-13-H2C-13-N
  833167.7357  0.0053 -4.8533 3 1414.0080201  58516 303A0 397      99 496        C-13-H3C-13-H2C-13-N
  833168.6561  0.0053 -3.7436 3 1414.0080201  58516 303A0 497      99 496        C-13-H3C-13-H2C-13-N
  833168.8737  0.0053 -3.7436 3 1414.0080201  58516 303A0 397      99 396        C-13-H3C-13-H2C-13-N
  833169.7941  0.0053 -4.8533 3 1414.0080201  58516 303A0 497      99 396        C-13-H3C-13-H2C-13-N
  833325.9240  0.0300 -3.0734 3  226.9854 55 -58516 303271413      261314        C-13-H3C-13-H2C-13-N
  833325.9240  0.0300 -3.0734 3  226.9854 55 -58516 303271414      261313        C-13-H3C-13-H2C-13-N
  833344.4110  0.0300 -3.0152 3  206.2947 35 -58516 3031716 1      1615 2        C-13-H3C-13-H2C-13-N
  833344.4110  0.0300 -3.0152 3  206.2947 35 -58516 3031716 2      1615 1        C-13-H3C-13-H2C-13-N
  833448.4050  0.0300 -3.0410 3  212.3109 45 -58516 3032215 7      2114 8        C-13-H3C-13-H2C-13-N
  833448.4050  0.0300 -3.0410 3  212.3109 45 -58516 3032215 8      2114 7        C-13-H3C-13-H2C-13-N
  833722.1970  0.0300 -3.7193 3  531.6007119 -58516 30359 851      58 752        C-13-H3C-13-H2C-13-N
  834023.9638  0.2563 -5.4005 3  888.4377 91  58516 303452916      462819        C-13-H3C-13-H2C-13-N
  834023.9638  0.2563 -5.4005 3  888.4377 91  58516 303452917      462818        C-13-H3C-13-H2C-13-N
  834275.3320  0.0300 -3.7174 3 1392.1314193 -58516 303961086      951085        C-13-H3C-13-H2C-13-N
  834391.7929  0.0054 -5.0010 3 1379.7416195  58516 30397 791      96 690        C-13-H3C-13-H2C-13-N
  834483.4830  0.0300 -4.1771 3 1609.1892195 -58516 303971978      961977        C-13-H3C-13-H2C-13-N
  834483.4830  0.0300 -4.1771 3 1609.1892195 -58516 303971979      961978        C-13-H3C-13-H2C-13-N
  834489.5930  0.0300 -4.1182 3 1581.7763195 -58516 303971879      961878        C-13-H3C-13-H2C-13-N
  834489.5930  0.0300 -4.1182 3 1581.7763195 -58516 303971880      961879        C-13-H3C-13-H2C-13-N
  834540.6460  0.0300 -4.2391 3 1638.0858195 -58516 303972077      962076        C-13-H3C-13-H2C-13-N
  834540.6460  0.0300 -4.2391 3 1638.0858195 -58516 303972078      962077        C-13-H3C-13-H2C-13-N
  834571.8680  0.0300 -4.0625 3 1555.8645195 -58516 303971781      961780        C-13-H3C-13-H2C-13-N
  834571.8680  0.0300 -4.0625 3 1555.8645195 -58516 303971780      961779        C-13-H3C-13-H2C-13-N
  834651.7470  0.1000 -4.3042 3 1668.4511195 -58516 303972176      962175        C-13-H3C-13-H2C-13-N
  834651.7470  0.1000 -4.3042 3 1668.4511195 -58516 303972177      962176        C-13-H3C-13-H2C-13-N
  834705.8920  0.0300 -3.7138 3 1393.3668195 -58516 30397 890      96 889        C-13-H3C-13-H2C-13-N
  834748.0770  0.0300 -4.0100 3 1531.4740195 -58516 303971682      961681        C-13-H3C-13-H2C-13-N
  834748.0770  0.0300 -4.0100 3 1531.4740195 -58516 303971681      961680        C-13-H3C-13-H2C-13-N
  834789.7842  0.0087 -5.4180 3  555.9467123  58516 30361 755      61 458        C-13-H3C-13-H2C-13-N
  834808.8540  0.0300 -4.3724 3 1700.2715195 -58516 303972275      962274        C-13-H3C-13-H2C-13-N
  834808.8540  0.0300 -4.3724 3 1700.2715195 -58516 303972276      962275        C-13-H3C-13-H2C-13-N
  834850.8560  0.0500 -4.8215 3 1422.8491203 -58516 303A1 299      A0 398        C-13-H3C-13-H2C-13-N
  834850.8560  0.0500 -3.7555 3 1422.8491203 -58516 303A1 399      A0 398        C-13-H3C-13-H2C-13-N
  834850.8560  0.0500 -3.7555 3 1422.8491203 -58516 303A1 299      A0 298        C-13-H3C-13-H2C-13-N
  834850.8560  0.0500 -4.8215 3 1422.8491203 -58516 303A1 399      A0 298        C-13-H3C-13-H2C-13-N
  835006.8720  0.0300 -4.4437 3 1733.5344195 -58516 303972374      962373        C-13-H3C-13-H2C-13-N
  835006.8720  0.0300 -4.4437 3 1733.5344195 -58516 303972375      962374        C-13-H3C-13-H2C-13-N
  835043.7230  0.0300 -3.9606 3 1508.6300195 -58516 303971583      961582        C-13-H3C-13-H2C-13-N
  835043.7230  0.0300 -3.9606 3 1508.6300195 -58516 303971582      961581        C-13-H3C-13-H2C-13-N
  835241.0790  0.0300 -4.5180 3 1768.2276195 -58516 303972473      962472        C-13-H3C-13-H2C-13-N
  835241.0790  0.0300 -4.5180 3 1768.2276195 -58516 303972474      962473        C-13-H3C-13-H2C-13-N
  835496.5517  0.0030 -3.9145 3 1487.3654195  58516 303971484      961483        C-13-H3C-13-H2C-13-N
  835497.2353  0.0030 -3.9145 3 1487.3655195  58516 303971483      961482        C-13-H3C-13-H2C-13-N
  835508.0514  0.0089 -4.5954 3 1804.3396195  58516 303972572      962571        C-13-H3C-13-H2C-13-N
  835508.0514  0.0089 -4.5954 3 1804.3396195  58516 303972573      962572        C-13-H3C-13-H2C-13-N
  835764.5780  0.0300 -3.9299 3  574.4454125 -58516 30362 755      61 656        C-13-H3C-13-H2C-13-N
  835804.7329  0.0118 -4.6758 3 1841.8591195  58516 303972671      962670        C-13-H3C-13-H2C-13-N
  835804.7329  0.0118 -4.6758 3 1841.8591195  58516 303972672      962671        C-13-H3C-13-H2C-13-N
  835936.7233  0.0048 -5.1975 3  170.9138 69  58516 30334 629      33 330        C-13-H3C-13-H2C-13-N
  836102.1728  0.1802 -5.3581 3  784.8266 81  58516 303402812      412715        C-13-H3C-13-H2C-13-N
  836102.1728  0.1802 -5.3581 3  784.8266 81  58516 303402813      412714        C-13-H3C-13-H2C-13-N
  836128.7526  0.0157 -4.7592 3 1880.7750195  58516 303972770      962769        C-13-H3C-13-H2C-13-N
  836128.7526  0.0157 -4.7592 3 1880.7750195  58516 303972771      962770        C-13-H3C-13-H2C-13-N
  836164.2190  0.0300 -3.8716 3 1467.7258195 -58516 303971385      961384        C-13-H3C-13-H2C-13-N
  836172.9000  0.0300 -3.8716 3 1467.7269195 -58516 303971384      961383        C-13-H3C-13-H2C-13-N
  836478.1032  0.0208 -4.8455 3 1921.0763195  58516 303972869      962868        C-13-H3C-13-H2C-13-N
  836478.1032  0.0208 -4.8455 3 1921.0763195  58516 303972870      962869        C-13-H3C-13-H2C-13-N
  836565.1890  0.0500 -4.7934 3 1430.5943205 -58516 303A2 1A1      A1 2A0        C-13-H3C-13-H2C-13-N
  836565.1890  0.0500 -3.7651 3 1430.5943205 -58516 303A2 2A1      A1 2A0        C-13-H3C-13-H2C-13-N
  836565.1890  0.0500 -3.7651 3 1430.5943205 -58516 303A2 1A1      A1 1A0        C-13-H3C-13-H2C-13-N
  836565.1890  0.0500 -4.7934 3 1430.5943205 -58516 303A2 2A1      A1 1A0        C-13-H3C-13-H2C-13-N
  836594.4769  0.0179 -4.9856 3  250.4452 87  58516 30343 241      42 142        C-13-H3C-13-H2C-13-N
  836713.0790  0.0300 -3.7366 3 1407.5739197 -58516 30398 792      97 791        C-13-H3C-13-H2C-13-N
  836807.7151  0.0143 -5.2883 3 1477.7016201  58516 303A0 793      99 892        C-13-H3C-13-H2C-13-N
  836851.0913  0.0273 -4.9348 3 1962.7519195  58516 303972968      962967        C-13-H3C-13-H2C-13-N
  836851.0913  0.0273 -4.9348 3 1962.7519195  58516 303972969      962968        C-13-H3C-13-H2C-13-N
  836915.0940  0.0500 -3.3806 3  386.1066 97 -58516 303481039      47 938        C-13-H3C-13-H2C-13-N
  836916.6780  0.0500 -3.3806 3  386.1066 97 -58516 303481038      47 939        C-13-H3C-13-H2C-13-N
  837066.0402  0.0030 -5.1419 3  200.9985 73  58516 30336 729      35 530        C-13-H3C-13-H2C-13-N
  837121.1980  0.0300 -3.8321 3 1449.7754195 -58516 303971286      961285        C-13-H3C-13-H2C-13-N
  837211.5690  0.0300 -3.8320 3 1449.7879195 -58516 303971285      961284        C-13-H3C-13-H2C-13-N
  837246.2726  0.0356 -5.0271 3 2005.7908195  58516 303973067      963066        C-13-H3C-13-H2C-13-N
  837246.2726  0.0356 -5.0271 3 2005.7908195  58516 303973068      963067        C-13-H3C-13-H2C-13-N
  837366.9250  0.0300 -3.7833 3  566.4848123 -58516 30361 854      60 753        C-13-H3C-13-H2C-13-N
  837428.6000  0.0300 -3.7355 3 1407.4135197 -58516 30398 692      97 691        C-13-H3C-13-H2C-13-N
  837452.6861  0.0042 -4.4011 3  303.7176 93  58516 30346 542      45 243        C-13-H3C-13-H2C-13-N
  837596.7508  0.0048 -5.5308 3  280.5846 85  58516 30342 834      42 537        C-13-H3C-13-H2C-13-N
  837662.4021  0.0461 -5.1222 3 2050.1821195  58516 303973166      963165        C-13-H3C-13-H2C-13-N
  837662.4021  0.0461 -5.1222 3 2050.1821195  58516 303973167      963166        C-13-H3C-13-H2C-13-N
  837733.7691  0.0043 -4.9808 3 1420.3649199  58516 30399 594      98 693        C-13-H3C-13-H2C-13-N
  837774.7477  0.0067 -4.9367 3  439.9429111  58516 30355 550      54 351        C-13-H3C-13-H2C-13-N
  838066.1720  0.0300 -3.7571 3 1420.3649199 -58516 30399 694      98 693        C-13-H3C-13-H2C-13-N
  838081.4845  0.1234 -5.4076 3  689.8566 71  58516 3033527 8      362611        C-13-H3C-13-H2C-13-N
  838081.4845  0.1234 -5.4076 3  689.8566 71  58516 3033527 9      362610        C-13-H3C-13-H2C-13-N
  838098.3960  0.0591 -5.2203 3 2095.9145195  58516 303973265      963264        C-13-H3C-13-H2C-13-N
  838098.3960  0.0591 -5.2203 3 2095.9145195  58516 303973266      963265        C-13-H3C-13-H2C-13-N
  838132.6640  0.0300 -3.7570 3 1420.3516199 -58516 30399 594      98 593        C-13-H3C-13-H2C-13-N
  838281.6250  0.0500 -3.7725 3 1437.3021207 -58516 303A3 0A3      A2 0A2        C-13-H3C-13-H2C-13-N
  838281.6250  0.0500 -4.7678 3 1437.3021207 -58516 303A3 0A3      A2 1A2        C-13-H3C-13-H2C-13-N
  838281.6250  0.0500 -4.7678 3 1437.3021207 -58516 303A3 1A3      A2 0A2        C-13-H3C-13-H2C-13-N
  838281.6250  0.0500 -3.7725 3 1437.3021207 -58516 303A3 1A3      A2 1A2        C-13-H3C-13-H2C-13-N
  838353.8030  0.0300 -3.7961 3 1433.5910195 -58516 303971187      961186        C-13-H3C-13-H2C-13-N
  838465.0373  0.0044 -4.9801 3 1420.3516199  58516 30399 694      98 593        C-13-H3C-13-H2C-13-N
  838483.1150  0.0500 -3.7370 3 1406.0839195 -58516 30397 989      96 988        C-13-H3C-13-H2C-13-N
  838553.3014  0.0750 -5.3213 3 2142.9771195  58516 303973364      963363        C-13-H3C-13-H2C-13-N
  838553.3014  0.0750 -5.3213 3 2142.9771195  58516 303973365      963364        C-13-H3C-13-H2C-13-N
  838900.7123  0.0047 -5.1321 3  180.9475 71  58516 30335 630      34 331        C-13-H3C-13-H2C-13-N
  839026.2727  0.0945 -5.4251 3 2191.3584195  58516 303973463      963462        C-13-H3C-13-H2C-13-N
  839026.2727  0.0945 -5.4251 3 2191.3584195  58516 303973464      963463        C-13-H3C-13-H2C-13-N
  839078.4400  0.0300 -3.7956 3 1433.7071195 -58516 303971186      961185        C-13-H3C-13-H2C-13-N
  839117.9060  0.0300 -3.7066 3 1392.1269195 -58516 30397 790      96 789        C-13-H3C-13-H2C-13-N
  839204.5173  0.0112 -5.4521 3  690.6047135  58516 30367 958      67 661        C-13-H3C-13-H2C-13-N
  839309.1390  0.0300 -3.7641 3 1419.1615195 -58516 303971088      961087        C-13-H3C-13-H2C-13-N
  839393.4990  0.0300 -3.2733 3  335.1825 87 -58516 303431133      421032        C-13-H3C-13-H2C-13-N
  839393.4990  0.0300 -3.2733 3  335.1825 87 -58516 303431132      421033        C-13-H3C-13-H2C-13-N
  839492.8190  0.0080 -5.2848 3  283.1723 91  58516 30345 442      44 243        C-13-H3C-13-H2C-13-N
  839509.2939  0.0049 -4.9341 3 1431.7271201  58516 303A0 496      99 595        C-13-H3C-13-H2C-13-N
  839516.5530  0.1182 -5.5317 3 2241.0473195  58516 303973562      963561        C-13-H3C-13-H2C-13-N
  839516.5530  0.1182 -5.5317 3 2241.0473195  58516 303973563      963562        C-13-H3C-13-H2C-13-N
  839528.1000  0.0500 -3.7746 3 1431.7271201 -58516 303A0 596      99 595        C-13-H3C-13-H2C-13-N
  839532.2626  0.0049 -3.7746 3 1431.7264201  58516 303A0 496      99 495        C-13-H3C-13-H2C-13-N
  839551.0911  0.0049 -4.9341 3 1431.7264201  58516 303A0 596      99 495        C-13-H3C-13-H2C-13-N
  839672.2890  0.0119 -5.5756 3  511.4020119  58516 30359 654      59 357        C-13-H3C-13-H2C-13-N
  839823.6252  0.0079 -4.5790 3  283.1613 91  58516 30345 442      44 143        C-13-H3C-13-H2C-13-N
  840208.6429  0.0029 -5.1400 3  200.8932 73  58516 30336 730      35 531        C-13-H3C-13-H2C-13-N
  840260.4807  0.3566 -5.4959 3  985.8912 99  58516 303493019      502922        C-13-H3C-13-H2C-13-N
  840260.4807  0.3566 -5.4959 3  985.8912 99  58516 303493020      502921        C-13-H3C-13-H2C-13-N
  840264.2440  0.0300 -3.5370 3  461.2538109 -58516 30354 946      53 845        C-13-H3C-13-H2C-13-N
  840480.5510  0.0300 -3.5368 3  461.2471109 -58516 30354 945      53 846        C-13-H3C-13-H2C-13-N
  840565.1896  0.0033 -5.5052 3  113.4690 51  58516 30325 817      24 618        C-13-H3C-13-H2C-13-N
  840567.7795  0.0033 -5.5052 3  113.4689 51  58516 30325 818      24 619        C-13-H3C-13-H2C-13-N
  840582.3850  0.0300 -3.6876 3 1381.4645193 -58516 30396 987      95 986        C-13-H3C-13-H2C-13-N
  840649.3870  0.0064 -5.3488 3  162.7866 69  58516 30334 529      33 232        C-13-H3C-13-H2C-13-N
  840667.3420  0.0300 -3.6701 3 1373.4092193 -58516 30396 888      95 887        C-13-H3C-13-H2C-13-N
  840802.4760  0.0300 -3.1888 3  293.0208 77 -58516 303381226      371127        C-13-H3C-13-H2C-13-N
  840802.4760  0.0300 -3.1888 3  293.0208 77 -58516 303381227      371126        C-13-H3C-13-H2C-13-N
  841135.5498  0.0055 -4.8973 3 1441.7995203  58516 303A1 398      A0 497        C-13-H3C-13-H2C-13-N
  841136.3830  0.0500 -3.7891 3 1441.7995203 -58516 303A1 498      A0 497        C-13-H3C-13-H2C-13-N
  841136.3830  0.0500 -3.7891 3 1441.7995203 -58516 303A1 398      A0 397        C-13-H3C-13-H2C-13-N
  841137.2146  0.0055 -4.8973 3 1441.7995203  58516 303A1 498      A0 397        C-13-H3C-13-H2C-13-N
  841188.5727  0.0045 -5.0894 3 1435.4836199  58516 30399 693      98 792        C-13-H3C-13-H2C-13-N
  841520.8202  0.0053 -5.0408 3 1407.4135197  58516 30398 792      97 691        C-13-H3C-13-H2C-13-N
  841608.2600  0.0300 -3.1240 3  259.5640 67 -58516 303331320      321221        C-13-H3C-13-H2C-13-N
  841608.2600  0.0300 -3.1240 3  259.5640 67 -58516 303331321      321220        C-13-H3C-13-H2C-13-N
  841610.4415  0.0047 -5.5575 3  268.3085 83  58516 30341 833      41 536        C-13-H3C-13-H2C-13-N
  841703.4781  0.0037 -4.9891 3  298.2154 91  58516 30345 640      44 441        C-13-H3C-13-H2C-13-N
  841887.8425  0.0046 -5.0679 3  191.2718 73  58516 30336 631      35 332        C-13-H3C-13-H2C-13-N
  841987.6980  0.0300 -3.7463 3  548.7079121 -58516 30360 852      59 753        C-13-H3C-13-H2C-13-N
  842024.6890  0.0300 -3.0761 3  234.7841 57 -58516 303281414      271315        C-13-H3C-13-H2C-13-N
  842024.6890  0.0300 -3.0761 3  234.7841 57 -58516 303281415      271314        C-13-H3C-13-H2C-13-N
  842052.5340  0.0300 -3.0155 3  211.2086 37 -58516 3031816 2      1715 3        C-13-H3C-13-H2C-13-N
  842052.5340  0.0300 -3.0155 3  211.2086 37 -58516 3031816 3      1715 2        C-13-H3C-13-H2C-13-N
  842155.3950  0.0300 -3.0418 3  218.6676 47 -58516 3032315 8      2214 9        C-13-H3C-13-H2C-13-N
  842155.3950  0.0300 -3.0418 3  218.6676 47 -58516 3032315 9      2214 8        C-13-H3C-13-H2C-13-N
  842467.6100  0.2564 -5.4058 3  875.0954 89  58516 303442915      452818        C-13-H3C-13-H2C-13-N
  842467.6100  0.2564 -5.4058 3  875.0954 89  58516 303442916      452817        C-13-H3C-13-H2C-13-N
  842522.9598  0.0064 -4.1030 3  530.6895121  58516 30360 654      59 555        C-13-H3C-13-H2C-13-N
  842770.7020  0.0300 -3.7592 3 1421.2096197 -58516 30398 891      97 890        C-13-H3C-13-H2C-13-N
  842822.5120  0.0500 -4.8663 3 1450.6967205 -58516 303A2 2A0      A1 399        C-13-H3C-13-H2C-13-N
  842822.5120  0.0500 -3.8012 3 1450.6967205 -58516 303A2 3A0      A1 399        C-13-H3C-13-H2C-13-N
  842822.5120  0.0500 -3.8012 3 1450.6967205 -58516 303A2 2A0      A1 299        C-13-H3C-13-H2C-13-N
  842822.5120  0.0500 -4.8663 3 1450.6967205 -58516 303A2 3A0      A1 299        C-13-H3C-13-H2C-13-N
  842930.6324  0.0039 -4.2218 3 1637.0245197  58516 303981979      971978        C-13-H3C-13-H2C-13-N
  842930.6324  0.0039 -4.2218 3 1637.0245197  58516 303981980      971979        C-13-H3C-13-H2C-13-N
  842942.9200  0.0300 -4.1630 3 1609.6119197 -58516 303981880      971879        C-13-H3C-13-H2C-13-N
  842942.9200  0.0300 -4.1630 3 1609.6119197 -58516 303981881      971880        C-13-H3C-13-H2C-13-N
  842983.2460  0.0300 -4.2838 3 1665.9231197 -58516 303982078      972077        C-13-H3C-13-H2C-13-N
  842983.2460  0.0300 -4.2838 3 1665.9231197 -58516 303982079      972078        C-13-H3C-13-H2C-13-N
  843001.8400  0.0300 -3.8139 3  584.2527125 -58516 30362 855      61 754        C-13-H3C-13-H2C-13-N
  843033.3870  0.0300 -4.1073 3 1583.7028197 -58516 303981782      971781        C-13-H3C-13-H2C-13-N
  843033.3870  0.0300 -4.1073 3 1583.7028197 -58516 303981781      971780        C-13-H3C-13-H2C-13-N
  843071.3653  0.0176 -4.9818 3  250.4447 87  58516 30343 341      42 042        C-13-H3C-13-H2C-13-N
  843090.8376  0.0043 -4.3489 3 1696.2921197  58516 303982177      972176        C-13-H3C-13-H2C-13-N
  843090.8376  0.0043 -4.3489 3 1696.2921197  58516 303982178      972177        C-13-H3C-13-H2C-13-N
  843220.5050  0.0300 -4.0548 3 1559.3182197 -58516 303981683      971682        C-13-H3C-13-H2C-13-N
  843220.5050  0.0300 -4.0548 3 1559.3182197 -58516 303981682      971681        C-13-H3C-13-H2C-13-N
  843245.8410  0.0300 -4.4171 3 1728.1178197 -58516 303982276      972275        C-13-H3C-13-H2C-13-N
  843245.8410  0.0300 -4.4171 3 1728.1178197 -58516 303982277      972276        C-13-H3C-13-H2C-13-N
  843284.1590  0.0300 -3.7617 3 1419.9598195 -58516 303971087      961086        C-13-H3C-13-H2C-13-N
  843442.5460  0.0300 -4.4883 3 1761.3872197 -58516 303982375      972374        C-13-H3C-13-H2C-13-N
  843442.5460  0.0300 -4.4883 3 1761.3872197 -58516 303982376      972375        C-13-H3C-13-H2C-13-N
  843530.7140  0.0300 -4.0054 3 1536.4840197 -58516 303981584      971583        C-13-H3C-13-H2C-13-N
  843530.7140  0.0300 -4.0054 3 1536.4840197 -58516 303981583      971582        C-13-H3C-13-H2C-13-N
  843676.2000  0.0300 -4.5626 3 1796.0882197 -58516 303982474      972473        C-13-H3C-13-H2C-13-N
  843676.2000  0.0300 -4.5626 3 1796.0882197 -58516 303982475      972474        C-13-H3C-13-H2C-13-N
  843935.5657  0.0047 -4.8318 3  495.6898117  58516 30358 652      57 453        C-13-H3C-13-H2C-13-N
  843943.2181  0.0099 -4.6399 3 1832.2092197  58516 303982573      972572        C-13-H3C-13-H2C-13-N
  843943.2181  0.0099 -4.6399 3 1832.2092197  58516 303982574      972573        C-13-H3C-13-H2C-13-N
  844003.3474  0.0031 -3.9594 3 1515.2346197  58516 303981485      971484        C-13-H3C-13-H2C-13-N
  844004.2227  0.0031 -3.9594 3 1515.2347197  58516 303981484      971483        C-13-H3C-13-H2C-13-N
  844061.7553  0.0030 -5.1236 3  211.4668 75  58516 30337 730      36 531        C-13-H3C-13-H2C-13-N
  844240.5074  0.0131 -4.7203 3 1869.7386197  58516 303982672      972671        C-13-H3C-13-H2C-13-N
  844240.5074  0.0131 -4.7203 3 1869.7386197  58516 303982673      972672        C-13-H3C-13-H2C-13-N
  844539.1470  0.0500 -4.8389 3 1458.4991207 -58516 303A3 1A2      A2 2A1        C-13-H3C-13-H2C-13-N
  844539.1470  0.0500 -3.8110 3 1458.4991207 -58516 303A3 2A2      A2 2A1        C-13-H3C-13-H2C-13-N
  844539.1470  0.0500 -3.8110 3 1458.4991207 -58516 303A3 1A2      A2 1A1        C-13-H3C-13-H2C-13-N
  844539.1470  0.0500 -4.8389 3 1458.4991207 -58516 303A3 2A2      A2 1A1        C-13-H3C-13-H2C-13-N
  844565.6276  0.0174 -4.8036 3 1908.6653197  58516 303982771      972770        C-13-H3C-13-H2C-13-N
  844565.6276  0.0174 -4.8036 3 1908.6653197  58516 303982772      972771        C-13-H3C-13-H2C-13-N
  844582.8087  0.1803 -5.3811 3  772.9348 79  58516 303392811      402714        C-13-H3C-13-H2C-13-N
  844582.8087  0.1803 -5.3811 3  772.9348 79  58516 303392812      402713        C-13-H3C-13-H2C-13-N
  844667.2510  0.0300 -3.7824 3 1435.4836199 -58516 30399 793      98 792        C-13-H3C-13-H2C-13-N
  844698.2230  0.0300 -3.9166 3 1495.6172197 -58516 303981386      971385        C-13-H3C-13-H2C-13-N
  844709.1360  0.0300 -3.9166 3 1495.6186197 -58516 303981385      971384        C-13-H3C-13-H2C-13-N
  844916.5159  0.0229 -4.8899 3 1948.9782197  58516 303982870      972869        C-13-H3C-13-H2C-13-N
  844916.5159  0.0229 -4.8899 3 1948.9782197  58516 303982871      972870        C-13-H3C-13-H2C-13-N
  844964.2494  0.0045 -5.0050 3  201.8845 75  58516 30337 632      36 333        C-13-H3C-13-H2C-13-N
  845204.7875  0.0046 -5.5863 3  256.3365 81  58516 30340 832      40 535        C-13-H3C-13-H2C-13-N
  845280.7910  0.0300 -3.7814 3 1435.3471199 -58516 30399 693      98 692        C-13-H3C-13-H2C-13-N
  845291.4330  0.0300 -4.9792 3 1990.6662197  58516 303982969      972968        C-13-H3C-13-H2C-13-N
  845291.4330  0.0300 -4.9792 3 1990.6662197  58516 303982970      972969        C-13-H3C-13-H2C-13-N
  845330.2330  0.0500 -3.3968 3  399.9772 99 -58516 303491040      48 939        C-13-H3C-13-H2C-13-N
  845332.5610  0.0500 -3.3968 3  399.9771 99 -58516 303491039      48 940        C-13-H3C-13-H2C-13-N
  845688.8962  0.0389 -5.0714 3 2033.7183197  58516 303983068      973067        C-13-H3C-13-H2C-13-N
  845688.8962  0.0389 -5.0714 3 2033.7183197  58516 303983069      973068        C-13-H3C-13-H2C-13-N
  845689.4210  0.0500 -3.8771 3 1477.6988197 -58516 303981287      971286        C-13-H3C-13-H2C-13-N
  845724.9362  0.0093 -5.4435 3  573.5583125  58516 30362 756      62 459        C-13-H3C-13-H2C-13-N
  845736.2427  0.0046 -5.0231 3 1448.3198201  58516 303A0 595      99 694        C-13-H3C-13-H2C-13-N
  845799.8590  0.0300 -3.8770 3 1477.7143197 -58516 303981286      971285        C-13-H3C-13-H2C-13-N
  845994.1802  0.0075 -4.4075 3  371.8864103  58516 30351 447      50 348        C-13-H3C-13-H2C-13-N
  846012.9820  0.0500 -3.8030 3 1448.3198201 -58516 303A0 695      99 694        C-13-H3C-13-H2C-13-N
  846068.6072  0.0047 -3.8030 3 1448.3087201  58516 303A0 595      99 594        C-13-H3C-13-H2C-13-N
  846107.6281  0.0501 -5.1666 3 2078.1235197  58516 303983167      973166        C-13-H3C-13-H2C-13-N
  846107.6281  0.0501 -5.1666 3 2078.1235197  58516 303983168      973167        C-13-H3C-13-H2C-13-N
  846257.2550  0.0500 -3.8186 3 1465.2641209 -58516 303A4 0A4      A3 0A3        C-13-H3C-13-H2C-13-N
  846257.2550  0.0500 -4.8137 3 1465.2641209 -58516 303A4 0A4      A3 1A3        C-13-H3C-13-H2C-13-N
  846257.2550  0.0500 -3.8186 3 1465.2641209 -58516 303A4 1A4      A3 1A3        C-13-H3C-13-H2C-13-N
  846257.2550  0.0500 -4.8137 3 1465.2641209 -58516 303A4 1A4      A3 0A3        C-13-H3C-13-H2C-13-N
  846345.3580  0.0047 -5.0225 3 1448.3087201  58516 303A0 695      99 594        C-13-H3C-13-H2C-13-N
  846546.5168  0.0639 -5.2646 3 2123.8705197  58516 303983266      973265        C-13-H3C-13-H2C-13-N
  846546.5168  0.0639 -5.2646 3 2123.8705197  58516 303983267      973266        C-13-H3C-13-H2C-13-N
  846596.4158  0.1235 -5.4620 3  679.4157 69  58516 3033427 7      352610        C-13-H3C-13-H2C-13-N
  846596.4158  0.1235 -5.4620 3  679.4157 69  58516 3033427 8      3526 9        C-13-H3C-13-H2C-13-N
  846746.5570  0.0300 -3.7528 3 1420.1168197 -58516 30398 791      97 790        C-13-H3C-13-H2C-13-N
  846779.9530  0.0500 -3.7824 3 1434.0527197 -58516 30398 990      97 989        C-13-H3C-13-H2C-13-N
  846941.2450  0.0500 -3.8412 3 1461.5554197 -58516 303981188      971187        C-13-H3C-13-H2C-13-N
  847004.5855  0.0808 -5.3655 3 2170.9482197  58516 303983365      973364        C-13-H3C-13-H2C-13-N
  847004.5855  0.0808 -5.3655 3 2170.9482197  58516 303983366      973365        C-13-H3C-13-H2C-13-N
  847469.7497  0.0053 -4.9779 3 1459.7308203  58516 303A1 497      A0 596        C-13-H3C-13-H2C-13-N
  847480.9677  0.1015 -5.4692 3 2219.3453197  58516 303983464      973463        C-13-H3C-13-H2C-13-N
  847480.9677  0.1015 -5.4692 3 2219.3453197  58516 303983465      973464        C-13-H3C-13-H2C-13-N
  847485.1750  0.0500 -3.8206 3 1459.7308203 -58516 303A1 597      A0 596        C-13-H3C-13-H2C-13-N
  847488.5660  0.0500 -3.8206 3 1459.7301203 -58516 303A1 497      A0 496        C-13-H3C-13-H2C-13-N
  847504.0088  0.0053 -4.9779 3 1459.7301203  58516 303A1 597      A0 496        C-13-H3C-13-H2C-13-N
  847646.7940  0.0134 -5.3225 3 1506.3495203  58516 303A1 794      A0 893        C-13-H3C-13-H2C-13-N
  847722.9859  0.0074 -5.1126 3  371.8288103  58516 30351 447      50 248        C-13-H3C-13-H2C-13-N
  847799.2780  0.0500 -3.8406 3 1461.6957197 -58516 303981187      971186        C-13-H3C-13-H2C-13-N
  847823.2060  0.0500 -3.8094 3 1447.1578197 -58516 303981089      971088        C-13-H3C-13-H2C-13-N
  847884.6658  0.0055 -5.3765 3  387.8265101  58516 30350 843      50 546        C-13-H3C-13-H2C-13-N
  847951.1023  0.0056 -5.3665 3  402.5796103  58516 30351 844      51 547        C-13-H3C-13-H2C-13-N
  847953.4160  0.0300 -3.2857 3  347.6004 89 -58516 303441134      431033        C-13-H3C-13-H2C-13-N
  847953.4160  0.0300 -3.2857 3  347.6004 89 -58516 303441133      431034        C-13-H3C-13-H2C-13-N
  847974.8881  0.1265 -5.5758 3 2269.0506197  58516 303983563      973562        C-13-H3C-13-H2C-13-N
  847974.8881  0.1265 -5.5758 3 2269.0506197  58516 303983564      973563        C-13-H3C-13-H2C-13-N
  848048.5193  0.0054 -5.3884 3  373.3564 99  58516 30349 842      49 545        C-13-H3C-13-H2C-13-N
  848130.4080  0.0029 -5.1213 3  211.3304 75  58516 30337 731      36 532        C-13-H3C-13-H2C-13-N
  848198.2222  0.0044 -4.9436 3  212.7835 77  58516 30338 633      37 334        C-13-H3C-13-H2C-13-N
  848274.4840  0.0500 -3.8458 3  602.3235127 -58516 30363 856      62 755        C-13-H3C-13-H2C-13-N
  848275.3920  0.0057 -5.3585 3  417.6149105  58516 30352 845      52 548        C-13-H3C-13-H2C-13-N
  848308.4760  0.0300 -3.5583 3  476.8836111 -58516 30355 947      54 846        C-13-H3C-13-H2C-13-N
  848415.4586  0.0053 -5.4022 3  359.1701 97  58516 30348 841      48 544        C-13-H3C-13-H2C-13-N
  848595.7150  0.0300 -3.5581 3  476.8748111 -58516 30355 946      54 847        C-13-H3C-13-H2C-13-N
  848671.7204  0.3567 -5.4920 3  971.3874 97  58516 303483018      492921        C-13-H3C-13-H2C-13-N
  848671.7204  0.3567 -5.4920 3  971.3874 97  58516 303483019      492920        C-13-H3C-13-H2C-13-N
  848744.6630  0.0500 -3.7160 3 1401.4508195 -58516 30397 889      96 888        C-13-H3C-13-H2C-13-N
  848759.0390  0.0300 -3.9679 3  592.3869127 -58516 30363 756      62 657        C-13-H3C-13-H2C-13-N
  848759.4459  0.0052 -5.0813 3 1435.3471199  58516 30399 793      98 692        C-13-H3C-13-H2C-13-N
  848885.2367  0.0059 -5.3524 3  432.9313107  58516 30353 846      53 549        C-13-H3C-13-H2C-13-N
  848958.8532  0.0052 -5.4179 3  345.2684 95  58516 30347 840      47 543        C-13-H3C-13-H2C-13-N
  849049.7929  0.0032 -5.4657 3  120.6950 53  58516 30326 818      25 619        C-13-H3C-13-H2C-13-N
  849053.9972  0.0032 -5.4657 3  120.6949 53  58516 30326 819      25 620        C-13-H3C-13-H2C-13-N
  849099.7274  0.0058 -4.9421 3 1469.8568205  58516 303A2 399      A1 498        C-13-H3C-13-H2C-13-N
  849100.3780  0.0500 -3.8354 3 1469.8568205 -58516 303A2 499      A1 498        C-13-H3C-13-H2C-13-N
  849100.3780  0.0500 -3.8354 3 1469.8568205 -58516 303A2 399      A1 398        C-13-H3C-13-H2C-13-N
  849101.0737  0.0058 -4.9421 3 1469.8568205  58516 303A2 499      A1 398        C-13-H3C-13-H2C-13-N
  849204.8396  0.0106 -5.4543 3  670.8878133  58516 30366 957      66 660        C-13-H3C-13-H2C-13-N
  849438.4340  0.0300 -3.1979 3  303.9928 79 -58516 303391227      381128        C-13-H3C-13-H2C-13-N
  849438.4340  0.0300 -3.1979 3  303.9928 79 -58516 303391228      381127        C-13-H3C-13-H2C-13-N
  849519.7090  0.0300 -3.7325 3 1409.5033195 -58516 30397 988      96 987        C-13-H3C-13-H2C-13-N
  849641.0102  0.0046 -5.0747 3  316.9274 95  58516 30347 543      46 344        C-13-H3C-13-H2C-13-N
  849652.8516  0.0051 -5.4354 3  331.6521 93  58516 30346 839      46 542        C-13-H3C-13-H2C-13-N
  849660.8092  0.0047 -5.1295 3 1463.6587201  58516 303A0 694      99 793        C-13-H3C-13-H2C-13-N
  849808.2519  0.0060 -5.3482 3  448.5282109  58516 30354 847      54 550        C-13-H3C-13-H2C-13-N
  850285.0460  0.0300 -3.1300 3  269.0932 69 -58516 303341321      331222        C-13-H3C-13-H2C-13-N
  850285.0460  0.0300 -3.1300 3  269.0932 69 -58516 303341322      331221        C-13-H3C-13-H2C-13-N
  850347.8480  0.0300 -3.7743 3  566.1052123 -58516 30361 853      60 754        C-13-H3C-13-H2C-13-N
  850472.5755  0.0050 -5.4549 3  318.3219 91  58516 30345 838      45 541        C-13-H3C-13-H2C-13-N
  850722.7080  0.0300 -3.0794 3  242.8715 59 -58516 303291415      281316        C-13-H3C-13-H2C-13-N
  850722.7080  0.0300 -3.0794 3  242.8715 59 -58516 303291416      281315        C-13-H3C-13-H2C-13-N
  850762.1060  0.0300 -3.0160 3  216.4115 39 -58516 3031916 3      1815 4        C-13-H3C-13-H2C-13-N
  850762.1060  0.0300 -3.0160 3  216.4115 39 -58516 3031916 4      1815 3        C-13-H3C-13-H2C-13-N
  850790.5070  0.0500 -4.9118 3 1478.8103207 -58516 303A3 2A1      A2 3A0        C-13-H3C-13-H2C-13-N
  850790.5070  0.0500 -3.8476 3 1478.8103207 -58516 303A3 3A1      A2 3A0        C-13-H3C-13-H2C-13-N
  850790.5070  0.0500 -3.8476 3 1478.8103207 -58516 303A3 2A1      A2 2A0        C-13-H3C-13-H2C-13-N
  850790.5070  0.0500 -4.9118 3 1478.8103207 -58516 303A3 3A1      A2 2A0        C-13-H3C-13-H2C-13-N
  850816.6030  0.0500 -3.8054 3 1449.3214199 -58516 30399 892      98 891        C-13-H3C-13-H2C-13-N
  850821.8899  0.0030 -5.1069 3  222.2337 77  58516 30338 731      37 532        C-13-H3C-13-H2C-13-N
  850862.9180  0.0300 -3.0430 3  225.3131 49 -58516 3032415 9      231410        C-13-H3C-13-H2C-13-N
  850862.9180  0.0300 -3.0430 3  225.3131 49 -58516 303241510      2314 9        C-13-H3C-13-H2C-13-N
  850918.1344  0.2564 -5.4148 3  862.0418 87  58516 303432914      442817        C-13-H3C-13-H2C-13-N
  850918.1344  0.2564 -5.4148 3  862.0418 87  58516 303432915      442816        C-13-H3C-13-H2C-13-N
  851071.7417  0.0061 -5.3460 3  464.4047111  58516 30355 848      55 551        C-13-H3C-13-H2C-13-N
  851373.0340  0.0300 -4.2673 3 1665.1417199 -58516 303991980      981979        C-13-H3C-13-H2C-13-N
  851373.0340  0.0300 -4.2673 3 1665.1417199 -58516 303991981      981980        C-13-H3C-13-H2C-13-N
  851391.6290  0.0300 -4.2084 3 1637.7295199 -58516 303991882      981881        C-13-H3C-13-H2C-13-N
  851391.6290  0.0300 -4.2084 3 1637.7295199 -58516 303991881      981880        C-13-H3C-13-H2C-13-N
  851394.2999  0.0049 -5.4763 3  305.2786 89  58516 30344 837      44 540        C-13-H3C-13-H2C-13-N
  851420.8940  0.0300 -4.3292 3 1694.0419199 -58516 303992079      982078        C-13-H3C-13-H2C-13-N
  851420.8940  0.0300 -4.3292 3 1694.0419199 -58516 303992080      982079        C-13-H3C-13-H2C-13-N
  851490.5390  0.0300 -4.1528 3 1611.8234199 -58516 303991783      981782        C-13-H3C-13-H2C-13-N
  851490.5390  0.0300 -4.1528 3 1611.8234199 -58516 303991782      981781        C-13-H3C-13-H2C-13-N
  851525.1123  0.0048 -4.3943 3 1724.4146199  58516 303992178      982177        C-13-H3C-13-H2C-13-N
  851525.1123  0.0048 -4.3943 3 1724.4146199  58516 303992179      982178        C-13-H3C-13-H2C-13-N
  851659.6413  0.0043 -4.8842 3  223.9666 79  58516 30339 634      38 335        C-13-H3C-13-H2C-13-N
  851677.8570  0.0300 -4.4624 3 1756.2454199 -58516 303992277      982276        C-13-H3C-13-H2C-13-N
  851677.8570  0.0300 -4.4624 3 1756.2454199 -58516 303992278      982277        C-13-H3C-13-H2C-13-N
  851688.8180  0.0300 -4.1003 3 1587.4450199 -58516 303991684      981683        C-13-H3C-13-H2C-13-N
  851688.8180  0.0300 -4.1003 3 1587.4450199 -58516 303991683      981682        C-13-H3C-13-H2C-13-N
  851873.0788  0.0067 -4.5336 3 1789.5214199  58516 303992376      982375        C-13-H3C-13-H2C-13-N
  851873.0788  0.0067 -4.5336 3 1789.5214199  58516 303992377      982376        C-13-H3C-13-H2C-13-N
  852013.9880  0.0300 -4.0510 3 1564.6212199 -58516 303991585      981584        C-13-H3C-13-H2C-13-N
  852013.9880  0.0300 -4.0510 3 1564.6212199 -58516 303991584      981583        C-13-H3C-13-H2C-13-N
  852106.1790  0.0300 -4.6079 3 1824.2302199 -58516 303992475      982474        C-13-H3C-13-H2C-13-N
  852106.1790  0.0300 -4.6079 3 1824.2302199 -58516 303992476      982475        C-13-H3C-13-H2C-13-N
  852237.9279  0.0075 -4.2653 3  455.9644113  58516 30356 551      55 452        C-13-H3C-13-H2C-13-N
  852315.1140  0.0500 -3.8068 3 1448.0887197 -58516 303981088      971087        C-13-H3C-13-H2C-13-N
  852373.0470  0.0112 -4.6852 3 1860.3601199  58516 303992574      982573        C-13-H3C-13-H2C-13-N
  852373.0470  0.0112 -4.6852 3 1860.3601199  58516 303992575      982574        C-13-H3C-13-H2C-13-N
  852395.6156  0.0048 -5.4996 3  292.5229 87  58516 30343 836      43 539        C-13-H3C-13-H2C-13-N
  852493.6883  0.0098 -4.6140 3  308.5938 95  58516 30347 344      46 245        C-13-H3C-13-H2C-13-N
  852507.0590  0.0500 -4.0050 3 1543.3875199 -58516 303991486      981485        C-13-H3C-13-H2C-13-N
  852508.0847  0.0033 -4.0050 3 1543.3877199  58516 303991485      981484        C-13-H3C-13-H2C-13-N
  852509.5320  0.0500 -4.8850 3 1486.6699209 -58516 303A4 1A3      A3 2A2        C-13-H3C-13-H2C-13-N
  852509.5320  0.0500 -3.8576 3 1486.6699209 -58516 303A4 1A3      A3 1A2        C-13-H3C-13-H2C-13-N
  852509.5320  0.0500 -3.8576 3 1486.6699209 -58516 303A4 2A3      A3 2A2        C-13-H3C-13-H2C-13-N
  852509.5320  0.0500 -4.8850 3 1486.6699209 -58516 303A4 2A3      A3 1A2        C-13-H3C-13-H2C-13-N
  852614.3230  0.0500 -3.8288 3 1463.6587201 -58516 303A0 794      99 793        C-13-H3C-13-H2C-13-N
  852670.8837  0.0147 -4.7655 3 1897.8994199  58516 303992673      982672        C-13-H3C-13-H2C-13-N
  852670.8837  0.0147 -4.7655 3 1897.8994199  58516 303992674      982673        C-13-H3C-13-H2C-13-N
  852702.4741  0.0063 -5.3458 3  480.5599113  58516 30356 849      56 552        C-13-H3C-13-H2C-13-N
  852705.9457  0.0098 -5.3250 3  308.5867 95  58516 30347 344      46 145        C-13-H3C-13-H2C-13-N
  852997.0490  0.0193 -4.8488 3 1936.8370199  58516 303992772      982771        C-13-H3C-13-H2C-13-N
  852997.0490  0.0193 -4.8488 3 1936.8370199  58516 303992773      982772        C-13-H3C-13-H2C-13-N
  853069.9489  0.1803 -5.4100 3  761.3320 77  58516 303382810      392713        C-13-H3C-13-H2C-13-N
  853069.9489  0.1803 -5.4100 3  761.3320 77  58516 303382811      392712        C-13-H3C-13-H2C-13-N
  853113.9875  0.0038 -4.9883 3  311.1748 93  58516 30346 641      45 442        C-13-H3C-13-H2C-13-N
  853139.4677  0.0044 -3.8280 3 1463.5427201  58516 303A0 694      99 693        C-13-H3C-13-H2C-13-N
  853152.1904  0.0039 -3.8788 3  620.6985129  58516 30364 857      63 756        C-13-H3C-13-H2C-13-N
  853229.7640  0.0300 -3.9622 3 1523.7933199 -58516 303991387      981386        C-13-H3C-13-H2C-13-N
  853243.4320  0.0300 -3.9622 3 1523.7951199 -58516 303991386      981385        C-13-H3C-13-H2C-13-N
  853349.4241  0.0253 -4.9351 3 1977.1616199  58516 303992871      982870        C-13-H3C-13-H2C-13-N
  853349.4241  0.0253 -4.9351 3 1977.1616199  58516 303992872      982871        C-13-H3C-13-H2C-13-N
  853376.4676  0.0044 -4.4044 3  316.8028 95  58516 30347 543      46 244        C-13-H3C-13-H2C-13-N
  853455.5731  0.0047 -5.5249 3  280.0554 85  58516 30342 835      42 538        C-13-H3C-13-H2C-13-N
  853725.7680  0.0500 -3.4137 3  414.1372101 -58516 303501041      49 940        C-13-H3C-13-H2C-13-N
  853725.9620  0.0050 -5.0663 3 1476.5398203  58516 303A1 596      A0 695        C-13-H3C-13-H2C-13-N
  853726.2229  0.0329 -5.0244 3 2018.8621199  58516 303992970      982969        C-13-H3C-13-H2C-13-N
  853726.2229  0.0329 -5.0244 3 2018.8621199  58516 303992971      982970        C-13-H3C-13-H2C-13-N
  853728.9200  0.0500 -3.4137 3  414.1371101 -58516 303501040      49 941        C-13-H3C-13-H2C-13-N
  853956.2790  0.0500 -3.8496 3 1476.5398203 -58516 303A1 696      A0 695        C-13-H3C-13-H2C-13-N
  854002.7920  0.0500 -3.8496 3 1476.5305203 -58516 303A1 596      A0 595        C-13-H3C-13-H2C-13-N
  854125.9238  0.0425 -5.1165 3 2061.9275199  58516 303993069      983068        C-13-H3C-13-H2C-13-N
  854125.9238  0.0425 -5.1165 3 2061.9275199  58516 303993070      983069        C-13-H3C-13-H2C-13-N
  854229.2130  0.0500 -3.8654 3 1493.4922211 -58516 303A5 0A5      A4 0A4        C-13-H3C-13-H2C-13-N
  854229.2130  0.0500 -4.8603 3 1493.4922211 -58516 303A5 0A5      A4 1A4        C-13-H3C-13-H2C-13-N
  854229.2130  0.0500 -4.8603 3 1493.4922211 -58516 303A5 1A5      A4 0A4        C-13-H3C-13-H2C-13-N
  854229.2130  0.0500 -3.8654 3 1493.4922211 -58516 303A5 1A5      A4 1A4        C-13-H3C-13-H2C-13-N
  854233.0208  0.0051 -5.0657 3 1476.5305203  58516 303A1 696      A0 595        C-13-H3C-13-H2C-13-N
  854255.5090  0.0300 -3.9229 3 1505.9080199 -58516 303991288      981287        C-13-H3C-13-H2C-13-N
  854381.6510  0.0500 -3.7997 3 1448.3612199 -58516 30399 792      98 791        C-13-H3C-13-H2C-13-N
  854389.6240  0.0300 -3.9228 3 1505.9272199 -58516 303991287      981286        C-13-H3C-13-H2C-13-N
  854547.2160  0.0544 -5.2116 3 2106.3466199  58516 303993168      983167        C-13-H3C-13-H2C-13-N
  854547.2160  0.0544 -5.2116 3 2106.3466199  58516 303993169      983168        C-13-H3C-13-H2C-13-N
  854554.8031  0.0047 -5.5522 3  267.8766 83  58516 30341 834      41 537        C-13-H3C-13-H2C-13-N
  854726.4611  0.0065 -5.3476 3  496.9929115  58516 30357 850      57 553        C-13-H3C-13-H2C-13-N
  854988.9597  0.0691 -5.3096 3 2152.1082199  58516 303993267      983266        C-13-H3C-13-H2C-13-N
  854988.9597  0.0691 -5.3096 3 2152.1082199  58516 303993268      983267        C-13-H3C-13-H2C-13-N
  855050.1990  0.0500 -3.8286 3 1462.2982199 -58516 30399 991      98 990        C-13-H3C-13-H2C-13-N
  855117.4773  0.1236 -5.5290 3  669.2641 67  58516 3033327 6      3426 9        C-13-H3C-13-H2C-13-N
  855117.4773  0.1236 -5.5290 3  669.2641 67  58516 3033327 7      3426 8        C-13-H3C-13-H2C-13-N
  855419.2375  0.0042 -4.8269 3  235.4314 81  58516 30340 635      39 336        C-13-H3C-13-H2C-13-N
  855426.1182  0.0057 -5.0224 3 1487.9998205  58516 303A2 498      A1 597        C-13-H3C-13-H2C-13-N
  855438.7440  0.0500 -3.8674 3 1487.9998205 -58516 303A2 598      A1 597        C-13-H3C-13-H2C-13-N
  855441.5510  0.0500 -3.8674 3 1487.9993205 -58516 303A2 498      A1 497        C-13-H3C-13-H2C-13-N
  855450.1536  0.0871 -5.4105 3 2199.2012199  58516 303993366      983365        C-13-H3C-13-H2C-13-N
  855450.1536  0.0871 -5.4105 3 2199.2012199  58516 303993367      983366        C-13-H3C-13-H2C-13-N
  855454.1914  0.0057 -5.0224 3 1487.9993205  58516 303A2 598      A1 497        C-13-H3C-13-H2C-13-N
  855487.2348  0.0044 -5.5831 3  123.9657 59  58516 30329 623      28 326        C-13-H3C-13-H2C-13-N
  855522.2040  0.0300 -3.8870 3 1489.8064199 -58516 303991189      981188        C-13-H3C-13-H2C-13-N
  855675.6134  0.0046 -5.5816 3  255.9871 81  58516 30340 833      40 536        C-13-H3C-13-H2C-13-N
  855929.9099  0.1089 -5.5142 3 2247.6143199  58516 303993465      983464        C-13-H3C-13-H2C-13-N
  855929.9099  0.1089 -5.5142 3 2247.6143199  58516 303993466      983465        C-13-H3C-13-H2C-13-N
  856038.3752  0.0030 -5.1041 3  222.0587 77  58516 30338 732      37 533        C-13-H3C-13-H2C-13-N
  856092.9694  0.0053 -5.1228 3 1463.5427201  58516 303A0 794      99 693        C-13-H3C-13-H2C-13-N
  856301.4580  0.0300 -3.5805 3  492.8050113 -58516 30356 948      55 847        C-13-H3C-13-H2C-13-N
  856318.7570  0.0300 -3.8554 3 1475.4382199 -58516 303991090      981089        C-13-H3C-13-H2C-13-N
  856502.5760  0.0300 -3.2990 3  360.3072 91 -58516 303451135      441034        C-13-H3C-13-H2C-13-N
  856502.5760  0.0300 -3.2990 3  360.3072 91 -58516 303451134      441035        C-13-H3C-13-H2C-13-N
  856534.1867  0.0045 -3.8864 3 1489.9752199  58516 303991188      981187        C-13-H3C-13-H2C-13-N
  856680.5040  0.0300 -3.5802 3  492.7934113 -58516 30356 947      55 848        C-13-H3C-13-H2C-13-N
  856743.7160  0.0300 -3.7627 3 1429.7619197 -58516 30398 890      97 889        C-13-H3C-13-H2C-13-N
  857060.2394  0.0062 -4.9876 3 1498.1798207  58516 303A3 3A0      A2 499        C-13-H3C-13-H2C-13-N
  857060.7690  0.0500 -3.8823 3 1498.1798207 -58516 303A3 4A0      A2 499        C-13-H3C-13-H2C-13-N
  857060.7690  0.0500 -3.8823 3 1498.1797207 -58516 303A3 3A0      A2 399        C-13-H3C-13-H2C-13-N
  857061.3281  0.0062 -4.9876 3 1498.1797207  58516 303A3 4A0      A2 399        C-13-H3C-13-H2C-13-N
  857090.1857  0.3567 -5.4909 3  957.1721 95  58516 303473017      482920        C-13-H3C-13-H2C-13-N
  857090.1857  0.3567 -5.4909 3  957.1721 95  58516 303473018      482919        C-13-H3C-13-H2C-13-N
  857168.7437  0.0066 -5.3515 3  513.7031117  58516 30358 851      58 554        C-13-H3C-13-H2C-13-N
  857220.0209  0.0100 -5.4708 3  591.4401127  58516 30363 757      63 460        C-13-H3C-13-H2C-13-N
  857318.0780  0.0031 -5.0919 3  233.3002 79  58516 30339 732      38 533        C-13-H3C-13-H2C-13-N
  857506.6230  0.0031 -5.4287 3  128.2111 55  58516 30327 819      26 620        C-13-H3C-13-H2C-13-N
  857513.3126  0.0031 -5.4287 3  128.2109 55  58516 30327 820      26 621        C-13-H3C-13-H2C-13-N
  857604.2150  0.0500 -3.9130 3  639.3784131 -58516 30365 858      64 757        C-13-H3C-13-H2C-13-N
  857707.3159  0.0051 -4.8536 3  512.5542119  58516 30359 653      58 454        C-13-H3C-13-H2C-13-N
  857784.5660  0.0300 -4.4405 3  327.8577 41 -58516 3032020 0      2019 1        C-13-H3C-13-H2C-13-N
  857784.5660  0.0300 -4.4405 3  327.8577 41 -58516 3032020 1      2019 2        C-13-H3C-13-H2C-13-N
  857854.3630  0.0300 -4.1620 3  333.9351 43 -58516 3032120 1      2119 2        C-13-H3C-13-H2C-13-N
  857854.3630  0.0300 -4.1620 3  333.9351 43 -58516 3032120 2      2119 3        C-13-H3C-13-H2C-13-N
  857927.1720  0.0300 -4.0082 3  340.3016 45 -58516 3032220 2      2219 3        C-13-H3C-13-H2C-13-N
  857927.1720  0.0300 -4.0082 3  340.3016 45 -58516 3032220 3      2219 4        C-13-H3C-13-H2C-13-N
  858002.9150  0.0300 -3.9056 3  346.9572 47 -58516 3032320 3      2319 4        C-13-H3C-13-H2C-13-N
  858002.9150  0.0300 -3.9056 3  346.9572 47 -58516 3032320 4      2319 5        C-13-H3C-13-H2C-13-N
  858050.0679  0.0050 -5.1707 3 1492.0989203  58516 303A1 695      A0 794        C-13-H3C-13-H2C-13-N
  858068.4980  0.0300 -3.2077 3  315.2534 81 -58516 303401228      391129        C-13-H3C-13-H2C-13-N
  858068.4980  0.0300 -3.2077 3  315.2534 81 -58516 303401229      391128        C-13-H3C-13-H2C-13-N
  858081.5670  0.0300 -3.8311 3  353.9020 49 -58516 3032420 4      2419 5        C-13-H3C-13-H2C-13-N
  858081.5670  0.0300 -3.8311 3  353.9020 49 -58516 3032420 5      2419 6        C-13-H3C-13-H2C-13-N
  858145.5523  0.0127 -5.3583 3 1535.2647205  58516 303A2 795      A1 894        C-13-H3C-13-H2C-13-N
  858163.1910  0.0500 -3.7744 3  361.1357 51 -58516 3032520 5      2519 6        C-13-H3C-13-H2C-13-N
  858163.1910  0.0500 -3.7744 3  361.1357 51 -58516 3032520 6      2519 7        C-13-H3C-13-H2C-13-N
  858247.3470  0.0300 -3.7301 3  368.6585 53 -58516 3032620 6      2619 7        C-13-H3C-13-H2C-13-N
  858247.3470  0.0300 -3.7301 3  368.6585 53 -58516 3032620 7      2619 8        C-13-H3C-13-H2C-13-N
  858300.6745  0.0065 -5.3403 3  172.3686 71  58516 30335 530      34 233        C-13-H3C-13-H2C-13-N
  858334.3720  0.0500 -3.6948 3  376.4701 55 -58516 3032720 7      2719 8        C-13-H3C-13-H2C-13-N
  858334.3720  0.0500 -3.6948 3  376.4701 55 -58516 3032720 8      2719 9        C-13-H3C-13-H2C-13-N
  858396.5490  0.0300 -3.7782 3 1437.8402197 -58516 30398 989      97 988        C-13-H3C-13-H2C-13-N
  858424.1110  0.0300 -3.6667 3  384.5707 57 -58516 3032820 8      2819 9        C-13-H3C-13-H2C-13-N
  858424.1110  0.0300 -3.6667 3  384.5707 57 -58516 3032820 9      281910        C-13-H3C-13-H2C-13-N
  858516.4680  0.0300 -3.6442 3  392.9602 59 -58516 3032920 9      291910        C-13-H3C-13-H2C-13-N
  858516.4680  0.0300 -3.6442 3  392.9602 59 -58516 303292010      291911        C-13-H3C-13-H2C-13-N
  858602.4402  0.0191 -4.9992 3  262.2606 89  58516 30344 242      43 143        C-13-H3C-13-H2C-13-N
  858611.4810  0.0300 -3.6263 3  401.6385 61 -58516 303302010      301911        C-13-H3C-13-H2C-13-N
  858611.4810  0.0300 -3.6263 3  401.6385 61 -58516 303302011      301912        C-13-H3C-13-H2C-13-N
  858708.8550  0.0300 -3.6124 3  410.6055 63 -58516 303312011      311912        C-13-H3C-13-H2C-13-N
  858708.8550  0.0300 -3.6124 3  410.6055 63 -58516 303312012      311913        C-13-H3C-13-H2C-13-N
  858754.7640  0.0500 -4.9580 3 1507.1896209 -58516 303A4 2A2      A3 3A1        C-13-H3C-13-H2C-13-N
  858754.7640  0.0500 -3.8947 3 1507.1896209 -58516 303A4 3A2      A3 3A1        C-13-H3C-13-H2C-13-N
  858754.7640  0.0500 -3.8947 3 1507.1896209 -58516 303A4 2A2      A3 2A1        C-13-H3C-13-H2C-13-N
  858754.7640  0.0500 -4.9580 3 1507.1896209 -58516 303A4 3A2      A3 2A1        C-13-H3C-13-H2C-13-N
  858808.7690  0.0300 -3.6017 3  419.8613 65 -58516 303322012      321913        C-13-H3C-13-H2C-13-N
  858808.7690  0.0300 -3.6017 3  419.8613 65 -58516 303322013      321914        C-13-H3C-13-H2C-13-N
  858827.2530  0.0300 -3.8034 3  583.7923125 -58516 30362 854      61 755        C-13-H3C-13-H2C-13-N
  858844.6582  0.0050 -3.8522 3 1477.7016201  58516 303A0 893      99 892        C-13-H3C-13-H2C-13-N
  858911.0440  0.0300 -3.5940 3  429.4057 67 -58516 303332013      331914        C-13-H3C-13-H2C-13-N
  858911.0440  0.0300 -3.5940 3  429.4057 67 -58516 303332014      331915        C-13-H3C-13-H2C-13-N
  858958.9640  0.0300 -3.1367 3  278.9110 71 -58516 303351322      341223        C-13-H3C-13-H2C-13-N
  858958.9640  0.0300 -3.1367 3  278.9110 71 -58516 303351323      341222        C-13-H3C-13-H2C-13-N
  859004.1230  0.0268 -4.8283 3 1177.4064179  58516 30389 882      88 781        C-13-H3C-13-H2C-13-N
  859015.6580  0.0300 -3.5889 3  439.2387 69 -58516 303342014      341915        C-13-H3C-13-H2C-13-N
  859015.6580  0.0300 -3.5889 3  439.2387 69 -58516 303342015      341916        C-13-H3C-13-H2C-13-N
  859056.4650  0.0266 -4.8635 3 1203.3439181  58516 30390 883      89 782        C-13-H3C-13-H2C-13-N
  859122.5170  0.0300 -3.5861 3  449.3603 71 -58516 303352015      351916        C-13-H3C-13-H2C-13-N
  859122.5170  0.0300 -3.5861 3  449.3603 71 -58516 303352016      351917        C-13-H3C-13-H2C-13-N
  859189.4300  0.0100 -5.4564 3  651.4627131  58516 30365 956      65 659        C-13-H3C-13-H2C-13-N
  859231.5640  0.0300 -3.5854 3  459.7704 73 -58516 303362016      361917        C-13-H3C-13-H2C-13-N
  859231.5640  0.0300 -3.5854 3  459.7704 73 -58516 303362017      361918        C-13-H3C-13-H2C-13-N
  859331.2436  0.0268 -4.7930 3 1151.7315177  58516 30388 881      87 780        C-13-H3C-13-H2C-13-N
  859342.7170  0.0300 -3.5866 3  470.4689 75 -58516 303372017      371918        C-13-H3C-13-H2C-13-N
  859342.7170  0.0300 -3.5866 3  470.4689 75 -58516 303372018      371919        C-13-H3C-13-H2C-13-N
  859358.7240  0.0085 -5.3006 3  295.7474 93  58516 30346 443      45 244        C-13-H3C-13-H2C-13-N
  859375.5115  0.2565 -5.4278 3  849.2770 85  58516 303422913      432816        C-13-H3C-13-H2C-13-N
  859375.5115  0.2565 -5.4278 3  849.2770 85  58516 303422914      432815        C-13-H3C-13-H2C-13-N
  859419.7900  0.0300 -3.0834 3  251.2475 61 -58516 303301416      291317        C-13-H3C-13-H2C-13-N
  859419.7900  0.0300 -3.0834 3  251.2475 61 -58516 303301417      291316        C-13-H3C-13-H2C-13-N
  859455.9160  0.0300 -3.5896 3  481.4558 77 -58516 303382018      381919        C-13-H3C-13-H2C-13-N
  859455.9160  0.0300 -3.5896 3  481.4558 77 -58516 303382019      381920        C-13-H3C-13-H2C-13-N
  859473.0170  0.0300 -3.0167 3  221.9032 41 -58516 3032016 4      1915 5        C-13-H3C-13-H2C-13-N
  859473.0170  0.0300 -3.0167 3  221.9032 41 -58516 3032016 5      1915 4        C-13-H3C-13-H2C-13-N
  859521.0354  0.0262 -4.8989 3 1229.5420183  58516 30391 884      90 783        C-13-H3C-13-H2C-13-N
  859547.6141  0.0041 -4.7722 3  247.1757 83  58516 30341 636      40 337        C-13-H3C-13-H2C-13-N
  859570.8870  0.0300 -3.0448 3  232.2473 51 -58516 303251510      241411        C-13-H3C-13-H2C-13-N
  859570.8870  0.0300 -3.0448 3  232.2473 51 -58516 303251511      241410        C-13-H3C-13-H2C-13-N
  859571.0839  0.0027 -3.5942 3  492.7310 79  58516 303392019      391920        C-13-H3C-13-H2C-13-N
  859571.0839  0.0027 -3.5942 3  492.7310 79  58516 303392020      391921        C-13-H3C-13-H2C-13-N
  859623.8899  0.0085 -4.5930 3  295.7385 93  58516 30346 443      45 144        C-13-H3C-13-H2C-13-N
  859688.1220  0.0300 -3.6003 3  504.2944 81 -58516 303402020      401921        C-13-H3C-13-H2C-13-N
  859688.1220  0.0300 -3.6003 3  504.2944 81 -58516 303402021      401922        C-13-H3C-13-H2C-13-N
  859806.9910  0.0300 -3.6078 3  516.1461 83 -58516 303412021      411922        C-13-H3C-13-H2C-13-N
  859806.9910  0.0300 -3.6078 3  516.1461 83 -58516 303412022      411923        C-13-H3C-13-H2C-13-N
  859810.5877  0.0047 -4.3134 3 1693.5404201  58516 303A01981      991980        C-13-H3C-13-H2C-13-N
  859810.5820  0.0500 -4.3134 3 1693.5404201 -58516 303A01982      991981        C-13-H3C-13-H2C-13-N
  859835.7067  0.0046 -4.2546 3 1666.1288201  58516 303A01882      991881        C-13-H3C-13-H2C-13-N
  859835.6790  0.0500 -4.2546 3 1666.1288201 -58516 303A01883      991882        C-13-H3C-13-H2C-13-N
  859853.6455  0.0050 -4.3754 3 1722.4423201  58516 303A02080      992079        C-13-H3C-13-H2C-13-N
  859853.6320  0.0500 -4.3754 3 1722.4423201 -58516 303A02081      992080        C-13-H3C-13-H2C-13-N
  859927.6050  0.0300 -3.6167 3  528.2858 85 -58516 303422022      421923        C-13-H3C-13-H2C-13-N
  859927.6050  0.0300 -3.6167 3  528.2858 85 -58516 303422023      421924        C-13-H3C-13-H2C-13-N
  859943.2300  0.0500 -4.1990 3 1640.2260201 -58516 303A01784      991783        C-13-H3C-13-H2C-13-N
  859943.2438  0.0044 -4.1990 3 1640.2260201  58516 303A01783      991782        C-13-H3C-13-H2C-13-N
  859954.3294  0.0055 -4.4404 3 1752.8184201  58516 303A02179      992178        C-13-H3C-13-H2C-13-N
  859954.3294  0.0055 -4.4404 3 1752.8184201  58516 303A02180      992179        C-13-H3C-13-H2C-13-N
  859998.7736  0.0266 -4.7577 3 1126.3213175  58516 30387 880      86 779        C-13-H3C-13-H2C-13-N
  860049.8470  0.0300 -3.6269 3  540.7136 87 -58516 303432023      431924        C-13-H3C-13-H2C-13-N
  860049.8470  0.0300 -3.6269 3  540.7136 87 -58516 303432024      431925        C-13-H3C-13-H2C-13-N
  860053.1872  0.0068 -5.3574 3  530.6895119  58516 30359 852      59 555        C-13-H3C-13-H2C-13-N
  860053.3096  0.0070 -4.9744 3  455.7037113  58516 30356 551      55 352        C-13-H3C-13-H2C-13-N
  860104.6330  0.0064 -4.5085 3 1784.6543201  58516 303A02278      992277        C-13-H3C-13-H2C-13-N
  860104.6420  0.0500 -4.5085 3 1784.6543201 -58516 303A02279      992278        C-13-H3C-13-H2C-13-N
  860153.0320  0.0500 -4.1466 3 1615.8543201 -58516 303A01685      991684        C-13-H3C-13-H2C-13-N
  860152.9959  0.0042 -4.1466 3 1615.8543201  58516 303A01684      991683        C-13-H3C-13-H2C-13-N
  860173.6710  0.0300 -3.6383 3  553.4294 89 -58516 303442024      441925        C-13-H3C-13-H2C-13-N
  860173.6710  0.0300 -3.6383 3  553.4294 89 -58516 303442025      441926        C-13-H3C-13-H2C-13-N
  860298.3565  0.0078 -4.5797 3 1817.9368201  58516 303A02377      992376        C-13-H3C-13-H2C-13-N
  860298.3565  0.0078 -4.5797 3 1817.9368201  58516 303A02378      992377        C-13-H3C-13-H2C-13-N
  860298.9100  0.0300 -3.6509 3  566.4331 91 -58516 303452025      451926        C-13-H3C-13-H2C-13-N
  860298.9100  0.0300 -3.6509 3  566.4331 91 -58516 303452026      451927        C-13-H3C-13-H2C-13-N
  860423.5778  0.0255 -4.9345 3 1255.9989185  58516 30392 885      91 784        C-13-H3C-13-H2C-13-N
  860425.6860  0.0300 -3.6647 3  579.7247 93 -58516 303462026      461927        C-13-H3C-13-H2C-13-N
  860425.6860  0.0300 -3.6647 3  579.7247 93 -58516 303462027      461928        C-13-H3C-13-H2C-13-N
  860476.1540  0.0500 -4.9318 3 1515.1065211 -58516 303A5 1A4      A4 2A3        C-13-H3C-13-H2C-13-N
  860476.1540  0.0500 -3.9048 3 1515.1065211 -58516 303A5 2A4      A4 2A3        C-13-H3C-13-H2C-13-N
  860476.1540  0.0500 -3.9048 3 1515.1065211 -58516 303A5 1A4      A4 1A3        C-13-H3C-13-H2C-13-N
  860476.1540  0.0500 -4.9318 3 1515.1065211 -58516 303A5 2A4      A4 1A3        C-13-H3C-13-H2C-13-N
  860493.4619  0.0039 -4.0973 3 1593.0413201  58516 303A01586      991585        C-13-H3C-13-H2C-13-N
  860493.5613  0.0039 -4.0973 3 1593.0413201  58516 303A01585      991584        C-13-H3C-13-H2C-13-N
  860530.6133  0.0098 -4.6539 3 1852.6534201  58516 303A02476      992475        C-13-H3C-13-H2C-13-N
  860530.6133  0.0098 -4.6539 3 1852.6534201  58516 303A02477      992476        C-13-H3C-13-H2C-13-N
  860553.7400  0.0300 -3.6795 3  593.3040 95 -58516 303472027      471928        C-13-H3C-13-H2C-13-N
  860553.7400  0.0300 -3.6795 3  593.3040 95 -58516 303472028      471929        C-13-H3C-13-H2C-13-N
  860554.8454  0.0048 -3.8759 3 1492.0989203  58516 303A1 795      A0 794        C-13-H3C-13-H2C-13-N
  860682.9400  0.0300 -3.6954 3  607.1710 97 -58516 303482028      481929        C-13-H3C-13-H2C-13-N
  860682.9400  0.0300 -3.6954 3  607.1710 97 -58516 303482029      481930        C-13-H3C-13-H2C-13-N
  860797.4917  0.0127 -4.7312 3 1888.7922201  58516 303A02575      992574        C-13-H3C-13-H2C-13-N
  860797.4917  0.0127 -4.7312 3 1888.7922201  58516 303A02576      992575        C-13-H3C-13-H2C-13-N
  860813.3060  0.0300 -3.7122 3  621.3256 99 -58516 303492029      491930        C-13-H3C-13-H2C-13-N
  860813.3060  0.0300 -3.7122 3  621.3256 99 -58516 303492030      491931        C-13-H3C-13-H2C-13-N
  860944.7390  0.0300 -3.7301 3  635.7677101 -58516 303502030      501931        C-13-H3C-13-H2C-13-N
  860944.7390  0.0300 -3.7301 3  635.7677101 -58516 303502031      501932        C-13-H3C-13-H2C-13-N
  860962.2667  0.0262 -4.7221 3 1101.1782173  58516 30386 879      85 778        C-13-H3C-13-H2C-13-N
  861003.5710  0.0500 -3.8752 3 1492.0003203 -58516 303A1 695      A0 694        C-13-H3C-13-H2C-13-N
  861007.4470  0.0500 -4.0514 3 1571.8241201 -58516 303A01487      991486        C-13-H3C-13-H2C-13-N
  861008.8159  0.0036 -4.0514 3 1571.8243201  58516 303A01486      991485        C-13-H3C-13-H2C-13-N
  861077.1170  0.0300 -3.7490 3  650.4973103 -58516 303512031      511932        C-13-H3C-13-H2C-13-N
  861077.1170  0.0300 -3.7490 3  650.4973103 -58516 303512032      511933        C-13-H3C-13-H2C-13-N
  861095.8151  0.0166 -4.8115 3 1926.3415201  58516 303A02674      992673        C-13-H3C-13-H2C-13-N
  861095.8151  0.0166 -4.8115 3 1926.3415201  58516 303A02675      992674        C-13-H3C-13-H2C-13-N
  861210.3750  0.0300 -3.7687 3  665.5142105 -58516 303522032      521933        C-13-H3C-13-H2C-13-N
  861210.3750  0.0300 -3.7687 3  665.5142105 -58516 303522033      521934        C-13-H3C-13-H2C-13-N
  861344.3690  0.0300 -3.7894 3  680.8184107 -58516 303532033      531934        C-13-H3C-13-H2C-13-N
  861344.3690  0.0300 -3.7894 3  680.8184107 -58516 303532034      531935        C-13-H3C-13-H2C-13-N
  861365.0690  0.0300 -3.8526 3 1476.5189199 -58516 303991089      981088        C-13-H3C-13-H2C-13-N
  861422.9704  0.0216 -4.8948 3 1965.2899201  58516 303A02773      992772        C-13-H3C-13-H2C-13-N
  861422.9704  0.0216 -4.8948 3 1965.2899201  58516 303A02774      992773        C-13-H3C-13-H2C-13-N
  861479.0390  0.0300 -3.8110 3  696.4098109 -58516 303542034      541935        C-13-H3C-13-H2C-13-N
  861479.0390  0.0300 -3.8110 3  696.4098109 -58516 303542035      541936        C-13-H3C-13-H2C-13-N
  861563.5671  0.1804 -5.4460 3  750.0182 75  58516 3033728 9      382712        C-13-H3C-13-H2C-13-N
  861563.5671  0.1804 -5.4460 3  750.0182 75  58516 303372810      382711        C-13-H3C-13-H2C-13-N
  861602.8391  0.0048 -3.9483 3  658.3640133  58516 30366 859      65 758        C-13-H3C-13-H2C-13-N
  861614.2860  0.0300 -3.8335 3  712.2883111 -58516 303552035      551936        C-13-H3C-13-H2C-13-N
  861614.2860  0.0300 -3.8335 3  712.2883111 -58516 303552036      551937        C-13-H3C-13-H2C-13-N
  861704.4412  0.0056 -5.1102 3 1505.0247205  58516 303A2 597      A1 696        C-13-H3C-13-H2C-13-N
  861749.9820  0.0300 -3.8568 3  728.4538113 -58516 303562036      561937        C-13-H3C-13-H2C-13-N
  861749.9820  0.0300 -3.8568 3  728.4538113 -58516 303562037      561938        C-13-H3C-13-H2C-13-N
  861758.8751  0.0034 -4.0087 3 1552.2540201  58516 303A01388      991387        C-13-H3C-13-H2C-13-N
  861775.7876  0.0034 -4.0086 3 1552.2562201  58516 303A01387      991386        C-13-H3C-13-H2C-13-N
  861776.7813  0.0281 -4.9810 3 2005.6263201  58516 303A02872      992871        C-13-H3C-13-H2C-13-N
  861776.7813  0.0281 -4.9810 3 2005.6263201  58516 303A02873      992872        C-13-H3C-13-H2C-13-N
  861782.3132  0.0247 -4.9704 3 1282.7133187  58516 30393 886      92 785        C-13-H3C-13-H2C-13-N
  861886.0730  0.0300 -3.8810 3  744.9063115 -58516 303572037      571938        C-13-H3C-13-H2C-13-N
  861886.0730  0.0300 -3.8810 3  744.9063115 -58516 303572038      571939        C-13-H3C-13-H2C-13-N
  861895.9950  0.0056 -3.8969 3 1505.0247205  58516 303A2 697      A1 696        C-13-H3C-13-H2C-13-N
  861934.7270  0.0500 -3.8968 3 1505.0170205 -58516 303A2 597      A1 596        C-13-H3C-13-H2C-13-N
  862022.4190  0.0300 -3.9061 3  761.6455117 -58516 303582038      581939        C-13-H3C-13-H2C-13-N
  862022.4190  0.0300 -3.9061 3  761.6455117 -58516 303582039      581940        C-13-H3C-13-H2C-13-N
  862026.5525  0.0054 -3.8472 3 1476.8603201  58516 303A0 793      99 792        C-13-H3C-13-H2C-13-N
  862100.3500  0.1000 -3.4315 3  428.5869103 -58516 303511042      50 941        C-13-H3C-13-H2C-13-N
  862105.0350  0.0300 -3.4315 3  428.5868103 -58516 303511041      50 942        C-13-H3C-13-H2C-13-N
  862126.3029  0.0057 -5.1097 3 1505.0170205  58516 303A2 697      A1 596        C-13-H3C-13-H2C-13-N
  862155.4146  0.0362 -5.0703 3 2047.3394201  58516 303A02971      992970        C-13-H3C-13-H2C-13-N
  862155.4146  0.0362 -5.0703 3 2047.3394201  58516 303A02972      992971        C-13-H3C-13-H2C-13-N
  862159.0010  0.0300 -3.9319 3  778.6715119 -58516 303592039      591940        C-13-H3C-13-H2C-13-N
  862159.0010  0.0300 -3.9319 3  778.6715119 -58516 303592040      591941        C-13-H3C-13-H2C-13-N
  862172.8510  0.0256 -4.6863 3 1076.3047171  58516 30385 878      84 777        C-13-H3C-13-H2C-13-N
  862197.4580  0.0500 -3.9128 3 1521.9863213 -58516 303A6 0A6      A5 0A5        C-13-H3C-13-H2C-13-N
  862197.4580  0.0500 -4.9076 3 1521.9863213 -58516 303A6 0A6      A5 1A5        C-13-H3C-13-H2C-13-N
  862197.4580  0.0500 -4.9076 3 1521.9863213 -58516 303A6 1A6      A5 0A5        C-13-H3C-13-H2C-13-N
  862197.4580  0.0500 -3.9128 3 1521.9863213 -58516 303A6 1A6      A5 1A5        C-13-H3C-13-H2C-13-N
  862295.5440  0.0300 -3.9586 3  795.9842121 -58516 303602040      601941        C-13-H3C-13-H2C-13-N
  862295.5440  0.0300 -3.9586 3  795.9842121 -58516 303602041      601942        C-13-H3C-13-H2C-13-N
  862432.1000  0.0300 -3.9860 3  813.5833123 -58516 303612041      611942        C-13-H3C-13-H2C-13-N
  862432.1000  0.0300 -3.9860 3  813.5833123 -58516 303612042      611943        C-13-H3C-13-H2C-13-N
  862456.5774  0.0061 -4.0079 3  610.6099129  58516 30364 757      63 658        C-13-H3C-13-H2C-13-N
  862557.3087  0.0465 -5.1624 3 2090.4181201  58516 303A03070      993069        C-13-H3C-13-H2C-13-N
  862557.3087  0.0465 -5.1624 3 2090.4181201  58516 303A03071      993070        C-13-H3C-13-H2C-13-N
  862568.4940  0.0300 -4.0143 3  831.4689125 -58516 303622042      621943        C-13-H3C-13-H2C-13-N
  862568.4940  0.0300 -4.0143 3  831.4689125 -58516 303622043      621944        C-13-H3C-13-H2C-13-N
  862632.3150  0.0300 -4.1495 3  547.9516123 -58516 30361 655      60 556        C-13-H3C-13-H2C-13-N
  862704.6430  0.0300 -4.0433 3  849.6409127 -58516 303632043      631944        C-13-H3C-13-H2C-13-N
  862704.6430  0.0300 -4.0433 3  849.6409127 -58516 303632044      631945        C-13-H3C-13-H2C-13-N
  862818.9250  0.0500 -3.9693 3 1534.4029201 -58516 303A01289      991288        C-13-H3C-13-H2C-13-N
  862840.4390  0.0300 -4.0731 3  868.0991129 -58516 303642044      641945        C-13-H3C-13-H2C-13-N
  862840.4390  0.0300 -4.0731 3  868.0991129 -58516 303642045      641946        C-13-H3C-13-H2C-13-N
  862975.7450  0.0300 -4.1036 3  886.8434131 -58516 303652045      651946        C-13-H3C-13-H2C-13-N
  862975.7450  0.0300 -4.1036 3  886.8434131 -58516 303652046      651947        C-13-H3C-13-H2C-13-N
  862981.1195  0.0592 -5.2574 3 2134.8512201  58516 303A03169      993168        C-13-H3C-13-H2C-13-N
  862981.1195  0.0592 -5.2574 3 2134.8512201  58516 303A03170      993169        C-13-H3C-13-H2C-13-N
  862981.4879  0.0036 -3.9692 3 1534.4265201  58516 303A01288      991287        C-13-H3C-13-H2C-13-N
  863110.4780  0.0300 -4.1350 3  905.8737133 -58516 303662046      661947        C-13-H3C-13-H2C-13-N
  863110.4780  0.0300 -4.1350 3  905.8737133 -58516 303662047      661948        C-13-H3C-13-H2C-13-N
  863244.5530  0.0300 -4.1670 3  925.1899135 -58516 303672047      671948        C-13-H3C-13-H2C-13-N
  863244.5530  0.0300 -4.1670 3  925.1899135 -58516 303672048      671949        C-13-H3C-13-H2C-13-N
  863293.8620  0.0500 -3.8756 3 1490.8196201 -58516 303A0 992      99 991        C-13-H3C-13-H2C-13-N
  863377.7910  0.0300 -4.1998 3  944.7920137 -58516 303682048      681949        C-13-H3C-13-H2C-13-N
  863377.7910  0.0300 -4.1998 3  944.7920137 -58516 303682049      681950        C-13-H3C-13-H2C-13-N
  863378.4699  0.0063 -5.0677 3 1516.5342207  58516 303A3 499      A2 598        C-13-H3C-13-H2C-13-N
  863388.7330  0.0500 -3.9148 3 1516.5342207 -58516 303A3 599      A2 598        C-13-H3C-13-H2C-13-N
  863391.1390  0.0500 -3.9148 3 1516.5338207 -58516 303A3 499      A2 498        C-13-H3C-13-H2C-13-N
  863401.4689  0.0063 -5.0677 3 1516.5338207  58516 303A3 599      A2 498        C-13-H3C-13-H2C-13-N
  863402.2864  0.0070 -5.3653 3  547.9516121  58516 30360 853      60 556        C-13-H3C-13-H2C-13-N
  863425.6784  0.0748 -5.3554 3 2180.6276201  58516 303A03268      993267        C-13-H3C-13-H2C-13-N
  863425.6784  0.0748 -5.3554 3 2180.6276201  58516 303A03269      993268        C-13-H3C-13-H2C-13-N
  863508.3472  0.0055 -5.1650 3 1492.0003203  58516 303A1 795      A0 694        C-13-H3C-13-H2C-13-N
  863510.0960  0.0300 -4.2334 3  964.6797139 -58516 303692049      691950        C-13-H3C-13-H2C-13-N
  863510.0960  0.0300 -4.2334 3  964.6797139 -58516 303692050      691951        C-13-H3C-13-H2C-13-N
  863520.9459  0.0031 -5.0784 3  244.6674 81  58516 30340 733      39 534        C-13-H3C-13-H2C-13-N
  863578.1988  0.0248 -4.6500 3 1051.7035169  58516 30384 877      83 776        C-13-H3C-13-H2C-13-N
  863607.7319  0.0238 -5.0068 3 1309.6841189  58516 30394 887      93 786        C-13-H3C-13-H2C-13-N
  863641.4080  0.0300 -4.2677 3  984.8530141 -58516 303702050      701951        C-13-H3C-13-H2C-13-N
  863641.4080  0.0300 -4.2677 3  984.8530141 -58516 303702051      701952        C-13-H3C-13-H2C-13-N
  863771.5960  0.0500 -4.3027 3 1005.3118143 -58516 303712051      711952        C-13-H3C-13-H2C-13-N
  863771.5960  0.0500 -4.3027 3 1005.3118143 -58516 303712052      711953        C-13-H3C-13-H2C-13-N
  863889.9593  0.0938 -5.4562 3 2227.7360201  58516 303A03367      993366        C-13-H3C-13-H2C-13-N
  863889.9593  0.0938 -5.4562 3 2227.7360201  58516 303A03368      993367        C-13-H3C-13-H2C-13-N
  863900.4830  0.0500 -4.3384 3 1026.0559145 -58516 303722052      721953        C-13-H3C-13-H2C-13-N
  863900.4830  0.0500 -4.3384 3 1026.0559145 -58516 303722053      721954        C-13-H3C-13-H2C-13-N
  863942.7019  0.0030 -5.0885 3  233.0778 79  58516 30339 733      38 534        C-13-H3C-13-H2C-13-N
  864014.5341  0.0188 -4.9960 3  262.2602 89  58516 30344 342      43 043        C-13-H3C-13-H2C-13-N
  864027.9390  0.0500 -4.3748 3 1047.0853147 -58516 303732053      731954        C-13-H3C-13-H2C-13-N
  864027.9390  0.0500 -4.3748 3 1047.0853147 -58516 303732054      731955        C-13-H3C-13-H2C-13-N
  864095.7755  0.0037 -3.9336 3 1518.3435201  58516 303A01190      991189        C-13-H3C-13-H2C-13-N
  864114.0090  0.0041 -4.7205 3  259.1970 85  58516 30342 637      41 338        C-13-H3C-13-H2C-13-N
  864153.9510  0.0500 -4.4120 3 1068.3997149 -58516 303742054      741955        C-13-H3C-13-H2C-13-N
  864153.9510  0.0500 -4.4120 3 1068.3997149 -58516 303742055      741956        C-13-H3C-13-H2C-13-N
  864238.0540  0.0300 -3.6036 3  509.0182115 -58516 30357 949      56 848        C-13-H3C-13-H2C-13-N
  864278.4160  0.0500 -4.4498 3 1089.9992151 -58516 303752055      751956        C-13-H3C-13-H2C-13-N
  864278.4160  0.0500 -4.4498 3 1089.9992151 -58516 303752056      751957        C-13-H3C-13-H2C-13-N
  864373.0528  0.1169 -5.5599 3 2276.1650201  58516 303A03466      993465        C-13-H3C-13-H2C-13-N
  864373.0528  0.1169 -5.5599 3 2276.1650201  58516 303A03467      993466        C-13-H3C-13-H2C-13-N
  864401.0990  0.0500 -4.4884 3 1111.8835153 -58516 303762056      761957        C-13-H3C-13-H2C-13-N
  864401.0990  0.0500 -4.4884 3 1111.8835153 -58516 303762057      761958        C-13-H3C-13-H2C-13-N
  864521.8560  0.0500 -4.5276 3 1134.0526155 -58516 303772057      771958        C-13-H3C-13-H2C-13-N
  864521.8560  0.0500 -4.5276 3 1134.0526155 -58516 303772058      771959        C-13-H3C-13-H2C-13-N
  864640.7110  0.0500 -4.5676 3 1156.5063157 -58516 303782058      781959        C-13-H3C-13-H2C-13-N
  864640.7110  0.0500 -4.5676 3 1156.5063157 -58516 303782059      781960        C-13-H3C-13-H2C-13-N
  864668.3420  0.0300 -3.8101 3 1458.3398199 -58516 30399 891      98 890        C-13-H3C-13-H2C-13-N
  864735.3610  0.0500 -3.6032 3  509.0029115 -58516 30357 948      56 849        C-13-H3C-13-H2C-13-N
  864757.3470  0.0500 -4.6082 3 1179.2445159 -58516 303792059      791960        C-13-H3C-13-H2C-13-N
  864757.3470  0.0500 -4.6082 3 1179.2445159 -58516 303792060      791961        C-13-H3C-13-H2C-13-N
  864794.6115  0.0047 -3.9022 3 1504.0019201  58516 303A01091      991090        C-13-H3C-13-H2C-13-N
  864871.9503  0.0066 -4.6495 3 1202.2670161  58516 303802060      801961        C-13-H3C-13-H2C-13-N
  864871.9503  0.0066 -4.6495 3 1202.2670161  58516 303802061      801962        C-13-H3C-13-H2C-13-N
  864908.4766  0.0039 -4.9895 3  324.4125 95  58516 30347 642      46 443        C-13-H3C-13-H2C-13-N
  864984.1470  0.0300 -4.6915 3 1225.5738163 -58516 303812061      811962        C-13-H3C-13-H2C-13-N
  864984.1470  0.0300 -4.6915 3 1225.5738163 -58516 303812062      811963        C-13-H3C-13-H2C-13-N
  865017.0559  0.0067 -5.0338 3 1526.7682209  58516 303A4 3A1      A3 4A0        C-13-H3C-13-H2C-13-N
  865017.5040  0.0500 -3.9299 3 1526.7682209 -58516 303A4 4A1      A3 4A0        C-13-H3C-13-H2C-13-N
  865017.5040  0.0500 -3.9299 3 1526.7682209 -58516 303A4 3A1      A3 3A0        C-13-H3C-13-H2C-13-N
  865017.9363  0.0067 -5.0338 3 1526.7682209  58516 303A4 4A1      A3 3A0        C-13-H3C-13-H2C-13-N
  865040.3420  0.0300 -3.3130 3  373.3029 93 -58516 303461136      451035        C-13-H3C-13-H2C-13-N
  865040.3420  0.0300 -3.3130 3  373.3029 93 -58516 303461135      451036        C-13-H3C-13-H2C-13-N
  865093.8247  0.0075 -4.7342 3 1249.1647165  58516 303822062      821963        C-13-H3C-13-H2C-13-N
  865093.8247  0.0075 -4.7342 3 1249.1647165  58516 303822063      821964        C-13-H3C-13-H2C-13-N
  865123.4383  0.0238 -4.6133 3 1027.3773167  58516 30383 876      82 775        C-13-H3C-13-H2C-13-N
  865124.8000  0.0500 -3.9847 3  677.6559135 -58516 30367 860      66 759        C-13-H3C-13-H2C-13-N
  865200.9323  0.0079 -4.7776 3 1273.0395167  58516 303832063      831964        C-13-H3C-13-H2C-13-N
  865200.9323  0.0079 -4.7776 3 1273.0395167  58516 303832064      831965        C-13-H3C-13-H2C-13-N
  865244.4653  0.0044 -5.5262 3  132.3182 61  58516 30330 624      29 327        C-13-H3C-13-H2C-13-N
  865284.7776  0.0054 -3.9329 3 1518.5462201  58516 303A01189      991188        C-13-H3C-13-H2C-13-N
  865305.3190  0.0084 -4.8216 3 1297.1981169  58516 303842064      841965        C-13-H3C-13-H2C-13-N
  865305.3190  0.0084 -4.8216 3 1297.1981169  58516 303842065      841966        C-13-H3C-13-H2C-13-N
  865406.8578  0.0090 -4.8663 3 1321.6405171  58516 303852065      851966        C-13-H3C-13-H2C-13-N
  865406.8578  0.0090 -4.8663 3 1321.6405171  58516 303852066      851967        C-13-H3C-13-H2C-13-N
  865505.4209  0.0095 -4.9117 3 1346.3664173  58516 303862066      861967        C-13-H3C-13-H2C-13-N
  865505.4209  0.0095 -4.9117 3 1346.3664173  58516 303862067      861968        C-13-H3C-13-H2C-13-N
  865515.8510  0.3567 -5.4928 3  943.2453 93  58516 303463016      472919        C-13-H3C-13-H2C-13-N
  865515.8510  0.3567 -5.4928 3  943.2453 93  58516 303463017      472918        C-13-H3C-13-H2C-13-N
  865600.8798  0.0100 -4.9578 3 1371.3757175  58516 303872067      871968        C-13-H3C-13-H2C-13-N
  865600.8798  0.0100 -4.9578 3 1371.3757175  58516 303872068      871969        C-13-H3C-13-H2C-13-N
  865693.1051  0.0106 -5.0045 3 1396.6683177  58516 303882068      881969        C-13-H3C-13-H2C-13-N
  865693.1051  0.0106 -5.0045 3 1396.6683177  58516 303882069      881970        C-13-H3C-13-H2C-13-N
  865781.9669  0.0112 -5.0518 3 1422.2440179  58516 303892069      891970        C-13-H3C-13-H2C-13-N
  865781.9669  0.0112 -5.0518 3 1422.2440179  58516 303892070      891971        C-13-H3C-13-H2C-13-N
  865867.3343  0.0118 -5.0999 3 1448.1027181  58516 303902070      901971        C-13-H3C-13-H2C-13-N
  865867.3343  0.0118 -5.0999 3 1448.1027181  58516 303902071      901972        C-13-H3C-13-H2C-13-N
  865902.7091  0.0227 -5.0437 3 1336.9102191  58516 30395 888      94 787        C-13-H3C-13-H2C-13-N
  865932.9188  0.0031 -5.3941 3  136.0175 57  58516 30328 820      27 621        C-13-H3C-13-H2C-13-N
  865943.3678  0.0031 -5.3941 3  136.0172 57  58516 30328 821      27 622        C-13-H3C-13-H2C-13-N
  865949.0756  0.0124 -5.1486 3 1474.2442183  58516 303912071      911972        C-13-H3C-13-H2C-13-N
  865949.0756  0.0124 -5.1486 3 1474.2442183  58516 303912072      911973        C-13-H3C-13-H2C-13-N
  866027.0585  0.0130 -5.1979 3 1500.6684185  58516 303922072      921973        C-13-H3C-13-H2C-13-N
  866027.0585  0.0130 -5.1979 3 1500.6684185  58516 303922073      921974        C-13-H3C-13-H2C-13-N
  866101.1500  0.0136 -5.2479 3 1527.3752187  58516 303932073      931974        C-13-H3C-13-H2C-13-N
  866101.1500  0.0136 -5.2479 3 1527.3752187  58516 303932074      931975        C-13-H3C-13-H2C-13-N
  866171.2159  0.0142 -5.2986 3 1554.3643189  58516 303942074      941975        C-13-H3C-13-H2C-13-N
  866171.2159  0.0142 -5.2986 3 1554.3643189  58516 303942075      941976        C-13-H3C-13-H2C-13-N
  866237.1218  0.0149 -5.3499 3 1581.6357191  58516 303952075      951976        C-13-H3C-13-H2C-13-N
  866237.1218  0.0149 -5.3499 3 1581.6357191  58516 303952076      951977        C-13-H3C-13-H2C-13-N
  866298.7321  0.0155 -5.4018 3 1609.1892193  58516 303962076      961977        C-13-H3C-13-H2C-13-N
  866298.7321  0.0155 -5.4018 3 1609.1892193  58516 303962077      961978        C-13-H3C-13-H2C-13-N
  866355.9106  0.0161 -5.4545 3 1637.0245195  58516 303972077      971978        C-13-H3C-13-H2C-13-N
  866355.9106  0.0161 -5.4545 3 1637.0245195  58516 303972078      971979        C-13-H3C-13-H2C-13-N
  866367.3172  0.0055 -5.2128 3 1520.8039205  58516 303A2 696      A1 795        C-13-H3C-13-H2C-13-N
  866408.5203  0.0167 -5.5077 3 1665.1417197  58516 303982078      981979        C-13-H3C-13-H2C-13-N
  866408.5203  0.0167 -5.5077 3 1665.1417197  58516 303982079      981980        C-13-H3C-13-H2C-13-N
  866456.4233  0.0174 -5.5616 3 1693.5404199  58516 303992079      991980        C-13-H3C-13-H2C-13-N
  866456.4233  0.0174 -5.5616 3 1693.5404199  58516 303992080      991981        C-13-H3C-13-H2C-13-N
  866692.2790  0.0300 -3.2184 3  326.8027 83 -58516 303411230      401129        C-13-H3C-13-H2C-13-N
  866692.2790  0.0300 -3.2184 3  326.8027 83 -58516 303411229      401130        C-13-H3C-13-H2C-13-N
  866715.3230  0.0500 -5.0049 3 1535.8346211 -58516 303A5 2A3      A4 3A2        C-13-H3C-13-H2C-13-N
  866715.3230  0.0500 -3.9424 3 1535.8346211 -58516 303A5 3A3      A4 3A2        C-13-H3C-13-H2C-13-N
  866715.3230  0.0500 -3.9424 3 1535.8346211 -58516 303A5 2A3      A4 2A2        C-13-H3C-13-H2C-13-N
  866715.3230  0.0500 -5.0049 3 1535.8346211 -58516 303A5 3A3      A4 2A2        C-13-H3C-13-H2C-13-N
  866721.0502  0.0048 -5.0879 3  330.2594 97  58516 30348 544      47 345        C-13-H3C-13-H2C-13-N
  866751.9743  0.0228 -4.5761 3 1003.3288165  58516 30382 875      81 774        C-13-H3C-13-H2C-13-N
  866855.9620  0.0500 -3.8997 3 1506.3495203 -58516 303A1 894      A0 893        C-13-H3C-13-H2C-13-N
  867206.9750  0.0300 -3.8248 3 1466.4732199 -58516 30399 990      98 989        C-13-H3C-13-H2C-13-N
  867236.9838  0.0073 -5.3753 3  565.4884123  58516 30361 854      61 557        C-13-H3C-13-H2C-13-N
  867453.6860  0.0500 -3.8336 3  601.7687127 -58516 30363 855      62 756        C-13-H3C-13-H2C-13-N
  867629.6890  0.0300 -3.1442 3  289.0172 73 -58516 303361323      351224        C-13-H3C-13-H2C-13-N
  867629.6890  0.0300 -3.1442 3  289.0172 73 -58516 303361324      351223        C-13-H3C-13-H2C-13-N
  867839.7146  0.2566 -5.4455 3  836.8010 83  58516 303412912      422815        C-13-H3C-13-H2C-13-N
  867839.7146  0.2566 -5.4455 3  836.8010 83  58516 303412913      422814        C-13-H3C-13-H2C-13-N
  868115.7120  0.0300 -3.0880 3  259.9121 63 -58516 303311417      301318        C-13-H3C-13-H2C-13-N
  868115.7120  0.0300 -3.0880 3  259.9121 63 -58516 303311418      301317        C-13-H3C-13-H2C-13-N
  868152.7800  0.0061 -4.0221 3  697.2545137  58516 30368 861      67 760        C-13-H3C-13-H2C-13-N
  868185.1460  0.0300 -3.0177 3  227.6839 43 -58516 3032116 5      2015 6        C-13-H3C-13-H2C-13-N
  868185.1460  0.0300 -3.0177 3  227.6839 43 -58516 3032116 6      2015 5        C-13-H3C-13-H2C-13-N
  868243.2750  0.0500 -4.3603 3 1722.2206203 -58516 303A11982      A01981        C-13-H3C-13-H2C-13-N
  868243.2750  0.0500 -4.3603 3 1722.2206203 -58516 303A11983      A01982        C-13-H3C-13-H2C-13-N
  868275.1141  0.0052 -4.3016 3 1694.8099203  58516 303A11883      A01882        C-13-H3C-13-H2C-13-N
  868275.1141  0.0052 -4.3016 3 1694.8099203  58516 303A11884      A01883        C-13-H3C-13-H2C-13-N
  868278.9670  0.0300 -3.0471 3  239.4702 53 -58516 303261511      251412        C-13-H3C-13-H2C-13-N
  868278.9670  0.0300 -3.0471 3  239.4702 53 -58516 303261512      251411        C-13-H3C-13-H2C-13-N
  868281.3893  0.0059 -4.4222 3 1751.1239203  58516 303A12081      A02080        C-13-H3C-13-H2C-13-N
  868281.3893  0.0059 -4.4222 3 1751.1239203  58516 303A12082      A02081        C-13-H3C-13-H2C-13-N
  868334.2446  0.0122 -5.3958 3 1564.4466207  58516 303A3 796      A2 895        C-13-H3C-13-H2C-13-N
  868378.4432  0.0065 -4.4872 3 1781.5034203  58516 303A12180      A02179        C-13-H3C-13-H2C-13-N
  868378.4432  0.0065 -4.4872 3 1781.5034203  58516 303A12181      A02180        C-13-H3C-13-H2C-13-N
  868391.5010  0.0500 -4.2460 3 1668.9107203 -58516 303A11785      A01784        C-13-H3C-13-H2C-13-N
  868391.5010  0.0500 -4.2460 3 1668.9107203 -58516 303A11784      A01783        C-13-H3C-13-H2C-13-N
  868406.2091  0.0215 -4.5383 3  979.5609163  58516 30381 874      80 773        C-13-H3C-13-H2C-13-N
  868439.0410  0.0500 -4.9793 3 1543.8089213 -58516 303A6 1A5      A5 2A4        C-13-H3C-13-H2C-13-N
  868439.0410  0.0500 -3.9528 3 1543.8089213 -58516 303A6 2A5      A5 2A4        C-13-H3C-13-H2C-13-N
  868439.0410  0.0500 -3.9528 3 1543.8089213 -58516 303A6 1A5      A5 1A4        C-13-H3C-13-H2C-13-N
  868439.0410  0.0500 -4.9793 3 1543.8089213 -58516 303A6 2A5      A5 1A4        C-13-H3C-13-H2C-13-N
  868489.2870  0.0300 -3.9237 3 1520.8039205 -58516 303A2 796      A1 795        C-13-H3C-13-H2C-13-N
  868526.2241  0.0076 -4.5553 3 1813.3443203  58516 303A12279      A02278        C-13-H3C-13-H2C-13-N
  868526.2241  0.0076 -4.5553 3 1813.3443203  58516 303A12280      A02279        C-13-H3C-13-H2C-13-N
  868613.0110  0.0300 -4.1936 3 1644.5459203 -58516 303A11686      A01685        C-13-H3C-13-H2C-13-N
  868613.0110  0.0300 -4.1936 3 1644.5459203 -58516 303A11685      A01684        C-13-H3C-13-H2C-13-N
  868662.9344  0.0216 -5.0812 3 1364.3913193  58516 30396 889      95 788        C-13-H3C-13-H2C-13-N
  868718.3340  0.0300 -4.6265 3 1846.6333203 -58516 303A12378      A02377        C-13-H3C-13-H2C-13-N
  868718.3340  0.0300 -4.6265 3 1846.6333203 -58516 303A12379      A02378        C-13-H3C-13-H2C-13-N
  868872.0510  0.0300 -3.9231 3 1520.7203205 -58516 303A2 696      A1 695        C-13-H3C-13-H2C-13-N
  868949.7490  0.0300 -4.7007 3 1881.3577203 -58516 303A12477      A02476        C-13-H3C-13-H2C-13-N
  868949.7490  0.0300 -4.7007 3 1881.3577203 -58516 303A12478      A02477        C-13-H3C-13-H2C-13-N
  868969.2560  0.0300 -4.1444 3 1621.7443203 -58516 303A11587      A01586        C-13-H3C-13-H2C-13-N
  868969.2560  0.0300 -4.1444 3 1621.7443203 -58516 303A11586      A01585        C-13-H3C-13-H2C-13-N
  869078.5895  0.0094 -5.4584 3  632.3316129  58516 30364 955      64 658        C-13-H3C-13-H2C-13-N
  869184.8167  0.0040 -4.6722 3  271.4932 87  58516 30343 638      42 339        C-13-H3C-13-H2C-13-N
  869216.5061  0.0146 -4.7780 3 1917.5053203  58516 303A12576      A02575        C-13-H3C-13-H2C-13-N
  869216.5061  0.0146 -4.7780 3 1917.5053203  58516 303A12577      A02576        C-13-H3C-13-H2C-13-N
  869264.9211  0.0108 -5.4999 3  609.5919129  58516 30364 758      64 461        C-13-H3C-13-H2C-13-N
  869401.0811  0.0032 -5.0664 3  256.3365 83  58516 30341 734      40 535        C-13-H3C-13-H2C-13-N
  869504.5830  0.0500 -4.0984 3 1600.5442203 -58516 303A11488      A01487        C-13-H3C-13-H2C-13-N
  869506.4800  0.0500 -4.0984 3 1600.5444203 -58516 303A11487      A01486        C-13-H3C-13-H2C-13-N
  869515.2556  0.0188 -4.8582 3 1955.0645203  58516 303A12675      A02674        C-13-H3C-13-H2C-13-N
  869515.2556  0.0188 -4.8582 3 1955.0645203  58516 303A12676      A02675        C-13-H3C-13-H2C-13-N
  869672.9485  0.0063 -5.1549 3 1533.7745207  58516 303A3 598      A2 697        C-13-H3C-13-H2C-13-N
  869683.7940  0.0500 -3.8953 3 1505.6145203 -58516 303A1 794      A0 793        C-13-H3C-13-H2C-13-N
  869813.6788  0.0047 -4.4105 3  330.1562 97  58516 30348 544      47 245        C-13-H3C-13-H2C-13-N
  869832.1830  0.0500 -3.9448 3 1533.7745207 -58516 303A3 698      A2 697        C-13-H3C-13-H2C-13-N
  869843.3456  0.0242 -4.9415 3 1994.0239203  58516 303A12774      A02773        C-13-H3C-13-H2C-13-N
  869843.3456  0.0242 -4.9415 3 1994.0239203  58516 303A12775      A02774        C-13-H3C-13-H2C-13-N
  869864.4880  0.0500 -3.9448 3 1533.7681207 -58516 303A3 598      A2 597        C-13-H3C-13-H2C-13-N
  870023.7416  0.0063 -5.1545 3 1533.7681207  58516 303A3 698      A2 597        C-13-H3C-13-H2C-13-N
  870028.1752  0.0203 -4.4999 3  956.0763161  58516 30380 873      79 772        C-13-H3C-13-H2C-13-N
  870063.6360  0.1805 -5.4904 3  738.9936 73  58516 3033628 8      372711        C-13-H3C-13-H2C-13-N
  870063.6360  0.1805 -5.4904 3  738.9936 73  58516 3033628 9      372710        C-13-H3C-13-H2C-13-N
  870161.9580  0.0500 -3.9609 3 1550.7461215 -58516 303A7 0A7      A6 0A6        C-13-H3C-13-H2C-13-N
  870161.9580  0.0500 -4.9556 3 1550.7461215 -58516 303A7 0A7      A6 1A6        C-13-H3C-13-H2C-13-N
  870161.9580  0.0500 -4.9556 3 1550.7461215 -58516 303A7 1A7      A6 0A6        C-13-H3C-13-H2C-13-N
  870161.9580  0.0500 -3.9609 3 1550.7461215 -58516 303A7 1A7      A6 1A6        C-13-H3C-13-H2C-13-N
  870198.5416  0.0311 -5.0277 3 2034.3720203  58516 303A12873      A02872        C-13-H3C-13-H2C-13-N
  870198.5416  0.0311 -5.0277 3 2034.3720203  58516 303A12874      A02873        C-13-H3C-13-H2C-13-N
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  870578.9620  0.0399 -5.1169 3 2076.0978203  58516 303A12973      A02972        C-13-H3C-13-H2C-13-N
  870676.3912  0.0069 -4.0605 3  717.1598139  58516 30369 862      68 761        C-13-H3C-13-H2C-13-N
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  870983.0051  0.0508 -5.2090 3 2119.1899203  58516 303A13072      A03071        C-13-H3C-13-H2C-13-N
  870994.0652  0.0059 -5.2080 3 1520.7203205  58516 303A2 796      A1 695        C-13-H3C-13-H2C-13-N
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  871337.2900  0.0500 -3.9628 3 1545.3334209 -58516 303A4 4A0      A3 499        C-13-H3C-13-H2C-13-N
  871345.6940  0.0070 -5.1137 3 1545.3334209  58516 303A4 5A0      A3 499        C-13-H3C-13-H2C-13-N
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  871409.2926  0.0643 -5.3040 3 2163.6372203  58516 303A13171      A03170        C-13-H3C-13-H2C-13-N
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  871575.9260  0.0500 -4.0164 3 1563.2125203 -58516 303A11289      A01288        C-13-H3C-13-H2C-13-N
  871576.5031  0.0075 -5.3875 3  583.2995125  58516 30362 855      62 558        C-13-H3C-13-H2C-13-N
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  871856.6267  0.0809 -5.4019 3 2209.4284203  58516 303A13270      A03269        C-13-H3C-13-H2C-13-N
  871877.6198  0.0204 -5.1193 3 1392.1269195  58516 30397 890      96 789        C-13-H3C-13-H2C-13-N
  872112.4680  0.0300 -3.6276 3  525.5233117 -58516 30358 950      57 849        C-13-H3C-13-H2C-13-N
  872323.9563  0.1010 -5.5027 3 2256.5522203  58516 303A13368      A03367        C-13-H3C-13-H2C-13-N
  872323.9563  0.1010 -5.5027 3 2256.5522203  58516 303A13369      A03368        C-13-H3C-13-H2C-13-N
  872481.4386  0.0077 -5.1408 3  386.2577105  58516 30352 448      51 249        C-13-H3C-13-H2C-13-N
  872523.3203  0.0064 -3.8582 3 1487.1820201  58516 303A0 892      99 891        C-13-H3C-13-H2C-13-N
  872661.1000  0.0500 -3.9810 3 1547.1666203 -58516 303A11191      A01190        C-13-H3C-13-H2C-13-N
  872693.2200  0.0300 -4.0995 3  737.3716141 -58516 30370 863      69 762        C-13-H3C-13-H2C-13-N
  872736.8025  0.0055 -4.8800 3  529.6817121  58516 30360 654      59 455        C-13-H3C-13-H2C-13-N
  872760.7760  0.0300 -3.6271 3  525.5035117 -58516 30358 949      57 850        C-13-H3C-13-H2C-13-N
  872945.0207  0.0175 -4.4217 3  909.9681157  58516 30378 871      77 770        C-13-H3C-13-H2C-13-N
  872970.1464  0.0074 -5.0807 3 1555.6221211  58516 303A5 3A2      A4 4A1        C-13-H3C-13-H2C-13-N
  872970.5160  0.0500 -3.9781 3 1555.6221211 -58516 303A5 4A2      A4 4A1        C-13-H3C-13-H2C-13-N
  872970.5160  0.0500 -3.9781 3 1555.6221211 -58516 303A5 3A2      A4 3A1        C-13-H3C-13-H2C-13-N
  872970.8584  0.0074 -5.0807 3 1555.6221211  58516 303A5 4A2      A4 3A1        C-13-H3C-13-H2C-13-N
  873249.6280  0.0500 -3.9497 3 1532.8483203 -58516 303A11092      A01091        C-13-H3C-13-H2C-13-N
  873566.1520  0.0300 -3.3278 3  386.5874 95 -58516 303471137      461036        C-13-H3C-13-H2C-13-N
  873566.1520  0.0300 -3.3278 3  386.5874 95 -58516 303471136      461037        C-13-H3C-13-H2C-13-N
  873948.6897  0.3568 -5.4980 3  929.6071 91  58516 303453015      462918        C-13-H3C-13-H2C-13-N
  873948.6897  0.3568 -5.4980 3  929.6071 91  58516 303453016      462917        C-13-H3C-13-H2C-13-N
  874052.6210  0.0500 -3.9801 3 1547.4089203 -58516 303A11190      A01189        C-13-H3C-13-H2C-13-N
  874127.2673  0.0161 -4.3818 3  887.3498155  58516 30377 870      76 769        C-13-H3C-13-H2C-13-N
  874209.1990  0.0300 -4.1392 3  757.8894143 -58516 30371 864      70 763        C-13-H3C-13-H2C-13-N
  874325.7049  0.0030 -5.3617 3  144.1143 59  58516 30329 821      28 622        C-13-H3C-13-H2C-13-N
  874341.7479  0.0030 -5.3617 3  144.1138 59  58516 30329 822      28 623        C-13-H3C-13-H2C-13-N
  874622.1561  0.0062 -5.2559 3 1549.7736207  58516 303A3 697      A2 796        C-13-H3C-13-H2C-13-N
  874672.0850  0.0500 -5.0525 3 1564.7451213 -58516 303A6 2A4      A5 3A3        C-13-H3C-13-H2C-13-N
  874672.0850  0.0500 -3.9909 3 1564.7451213 -58516 303A6 3A4      A5 3A3        C-13-H3C-13-H2C-13-N
  874672.0850  0.0500 -3.9909 3 1564.7451213 -58516 303A6 2A4      A5 2A3        C-13-H3C-13-H2C-13-N
  874672.0850  0.0500 -5.0525 3 1564.7451213 -58516 303A6 3A4      A5 2A3        C-13-H3C-13-H2C-13-N
  874821.9381  0.0040 -4.6275 3  284.0622 89  58516 30344 639      43 340        C-13-H3C-13-H2C-13-N
  874851.5080  0.0500 -3.9480 3 1535.2647205 -58516 303A2 895      A1 894        C-13-H3C-13-H2C-13-N
  874930.3023  0.0033 -5.0557 3  268.3085 85  58516 30342 735      41 536        C-13-H3C-13-H2C-13-N
  875053.2351  0.0148 -4.3416 3  865.0255153  58516 30376 869      75 768        C-13-H3C-13-H2C-13-N
  875238.7357  0.0098 -4.1794 3  778.7122145  58516 30372 865      71 764        C-13-H3C-13-H2C-13-N
  875258.6384  0.0044 -5.4733 3  140.9531 63  58516 30331 625      30 328        C-13-H3C-13-H2C-13-N
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  875309.3860  0.0300 -3.2298 3  338.6404 85 -58516 303421230      411131        C-13-H3C-13-H2C-13-N
  875530.4170  0.0193 -5.1581 3 1420.1168197  58516 30398 891      97 790        C-13-H3C-13-H2C-13-N
  875672.0974  0.0134 -4.3011 3  842.9974151  58516 30375 868      74 767        C-13-H3C-13-H2C-13-N
  875804.5224  0.0109 -4.2199 3  799.8389147  58516 30373 866      72 765        C-13-H3C-13-H2C-13-N
  875936.6969  0.0122 -4.2605 3  821.2679149  58516 30374 867      73 766        C-13-H3C-13-H2C-13-N
  875946.0808  0.0083 -3.8722 3 1495.4001201  58516 303A0 991      99 990        C-13-H3C-13-H2C-13-N
  876195.6289  0.0104 -4.6310 3  321.7113 97  58516 30348 345      47 246        C-13-H3C-13-H2C-13-N
  876258.3020  0.0300 -3.8649 3  620.0339129 -58516 30364 856      63 757        C-13-H3C-13-H2C-13-N
  876296.9820  0.0300 -3.1524 3  299.4120 75 -58516 303371324      361225        C-13-H3C-13-H2C-13-N
  876296.9820  0.0300 -3.1524 3  299.4120 75 -58516 303371325      361224        C-13-H3C-13-H2C-13-N
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  876310.7166  0.2567 -5.4684 3  824.6139 81  58516 303402912      412813        C-13-H3C-13-H2C-13-N
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  876398.1690  0.0500 -4.0013 3 1572.7769215 -58516 303A7 1A6      A6 1A5        C-13-H3C-13-H2C-13-N
  876398.1690  0.0500 -5.0274 3 1572.7769215 -58516 303A7 2A6      A6 1A5        C-13-H3C-13-H2C-13-N
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  876581.4050  0.0300 -2.9938 3  229.1767 35 -58516 3031717 1      1616 0        C-13-H3C-13-H2C-13-N
  876671.2030  0.0500 -4.4080 3 1751.1821205 -58516 303A21983      A11982        C-13-H3C-13-H2C-13-N
  876671.2030  0.0500 -4.4080 3 1751.1821205 -58516 303A21984      A11983        C-13-H3C-13-H2C-13-N
  876685.0123  0.0067 -5.3374 3  182.2238 73  58516 30336 531      35 234        C-13-H3C-13-H2C-13-N
  876704.1570  0.0500 -4.4698 3 1780.0867205 -58516 303A22082      A12081        C-13-H3C-13-H2C-13-N
  876704.1570  0.0500 -4.4698 3 1780.0867205 -58516 303A22083      A12082        C-13-H3C-13-H2C-13-N
  876709.7920  0.0500 -4.3492 3 1723.7724205 -58516 303A21885      A11884        C-13-H3C-13-H2C-13-N
  876709.7920  0.0500 -4.3492 3 1723.7724205 -58516 303A21884      A11883        C-13-H3C-13-H2C-13-N
  876744.0850  0.0500 -3.9717 3 1549.7028207 -58516 303A3 697      A2 696        C-13-H3C-13-H2C-13-N
  876797.4084  0.0079 -4.5348 3 1810.4694205  58516 303A22181      A12180        C-13-H3C-13-H2C-13-N
  876797.4084  0.0079 -4.5348 3 1810.4694205  58516 303A22182      A12181        C-13-H3C-13-H2C-13-N
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  876810.2660  0.0300 -3.0934 3  268.8652 65 -58516 303321419      311318        C-13-H3C-13-H2C-13-N
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  876835.2990  0.0500 -4.2937 3 1697.8771205 -58516 303A21785      A11784        C-13-H3C-13-H2C-13-N
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  876906.7639  0.0069 -4.0498 3  629.1135131  58516 30365 758      64 659        C-13-H3C-13-H2C-13-N
  876942.4600  0.0500 -4.6029 3 1842.3152205 -58516 303A22280      A12279        C-13-H3C-13-H2C-13-N
  876942.4600  0.0500 -4.6029 3 1842.3152205 -58516 303A22281      A12280        C-13-H3C-13-H2C-13-N
  876987.1980  0.0300 -3.0501 3  246.9819 55 -58516 303271512      261413        C-13-H3C-13-H2C-13-N
  876987.1980  0.0300 -3.0501 3  246.9819 55 -58516 303271513      261412        C-13-H3C-13-H2C-13-N
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  877068.8080  0.0500 -4.2413 3 1673.5197205 -58516 303A21686      A11685        C-13-H3C-13-H2C-13-N
  877102.6995  0.0040 -4.9926 3  337.9279 97  58516 30348 643      47 444        C-13-H3C-13-H2C-13-N
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  877133.0026  0.0108 -4.6740 3 1875.6106205  58516 303A22380      A12379        C-13-H3C-13-H2C-13-N
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  877363.5404  0.0134 -4.7482 3 1910.3427205  58516 303A22478      A12477        C-13-H3C-13-H2C-13-N
  877363.5404  0.0134 -4.7482 3 1910.3427205  58516 303A22479      A12478        C-13-H3C-13-H2C-13-N
  877441.2550  0.0500 -4.1921 3 1650.7300205 -58516 303A21588      A11587        C-13-H3C-13-H2C-13-N
  877441.2550  0.0500 -4.1921 3 1650.7300205 -58516 303A21587      A11586        C-13-H3C-13-H2C-13-N
  877630.0442  0.0168 -4.8254 3 1946.4992205  58516 303A22577      A12576        C-13-H3C-13-H2C-13-N
  877630.0442  0.0168 -4.8254 3 1946.4992205  58516 303A22578      A12577        C-13-H3C-13-H2C-13-N
  877632.5430  0.0071 -5.2003 3 1562.7889209  58516 303A4 599      A3 698        C-13-H3C-13-H2C-13-N
  877666.5208  0.0043 -5.5605 3  624.5908125  58516 303621152      62 953        C-13-H3C-13-H2C-13-N
  877764.8550  0.0500 -3.9934 3 1562.7889209 -58516 303A4 699      A3 698        C-13-H3C-13-H2C-13-N
  877791.7580  0.0500 -3.9934 3 1562.7836209 -58516 303A4 599      A3 598        C-13-H3C-13-H2C-13-N
  877837.3257  0.0043 -5.5603 3  624.5851125  58516 303621151      62 954        C-13-H3C-13-H2C-13-N
  877924.0954  0.0072 -5.2000 3 1562.7836209  58516 303A4 699      A3 598        C-13-H3C-13-H2C-13-N
  877929.1593  0.0213 -4.9057 3 1984.0684205  58516 303A22676      A12675        C-13-H3C-13-H2C-13-N
  877929.1593  0.0213 -4.9057 3 1984.0684205  58516 303A22677      A12676        C-13-H3C-13-H2C-13-N
  877998.6046  0.0048 -4.1462 3 1629.5478205  58516 303A21489      A11488        C-13-H3C-13-H2C-13-N
  878000.8802  0.0049 -4.1462 3 1629.5480205  58516 303A21488      A11487        C-13-H3C-13-H2C-13-N
  878122.7070  0.0500 -4.0097 3 1579.7716217 -58516 303A8 0A8      A7 0A7        C-13-H3C-13-H2C-13-N
  878122.7070  0.0500 -5.0042 3 1579.7716217 -58516 303A8 0A8      A7 1A7        C-13-H3C-13-H2C-13-N
  878122.7070  0.0500 -5.0042 3 1579.7716217 -58516 303A8 1A8      A7 0A7        C-13-H3C-13-H2C-13-N
  878122.7070  0.0500 -4.0097 3 1579.7716217 -58516 303A8 1A8      A7 1A7        C-13-H3C-13-H2C-13-N
  878242.2404  0.0122 -5.4347 3 1593.8948209  58516 303A4 797      A3 896        C-13-H3C-13-H2C-13-N
  878258.1288  0.0271 -4.9889 3 2023.0387205  58516 303A22775      A12774        C-13-H3C-13-H2C-13-N
  878258.1288  0.0271 -4.9889 3 2023.0387205  58516 303A22776      A12775        C-13-H3C-13-H2C-13-N
  878540.0062  0.0065 -5.2519 3 1549.7028207  58516 303A3 797      A2 696        C-13-H3C-13-H2C-13-N
  878570.1277  0.1806 -5.5448 3  728.2581 71  58516 3033528 7      362710        C-13-H3C-13-H2C-13-N
  878570.1277  0.1806 -5.5448 3  728.2581 71  58516 3033528 8      3627 9        C-13-H3C-13-H2C-13-N
  878614.6590  0.0346 -5.0751 3 2063.3987205  58516 303A22874      A12873        C-13-H3C-13-H2C-13-N
  878614.6590  0.0346 -5.0751 3 2063.3987205  58516 303A22875      A12874        C-13-H3C-13-H2C-13-N
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  878792.3330  0.0500 -3.4695 3  458.3550107 -58516 303531043      52 944        C-13-H3C-13-H2C-13-N
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  878835.2736  0.0048 -4.1036 3 1610.0322205  58516 303A21389      A11388        C-13-H3C-13-H2C-13-N
  878851.8260  0.0041 -5.5433 3  606.6572123  58516 303611150      61 953        C-13-H3C-13-H2C-13-N
  878996.8193  0.0439 -5.1643 3 2105.1372205  58516 303A22973      A12972        C-13-H3C-13-H2C-13-N
  878996.8193  0.0439 -5.1643 3 2105.1372205  58516 303A22974      A12973        C-13-H3C-13-H2C-13-N
  879271.3113  0.0078 -5.1604 3 1574.3984211  58516 303A5 4A1      A4 5A0        C-13-H3C-13-H2C-13-N
  879278.1210  0.1000 -4.0116 3 1574.3984211 -58516 303A5 5A1      A4 5A0        C-13-H3C-13-H2C-13-N
  879279.7930  0.0078 -4.0116 3 1574.3981211  58516 303A5 4A1      A4 4A0        C-13-H3C-13-H2C-13-N
  879286.7382  0.0078 -5.1604 3 1574.3981211  58516 303A5 5A1      A4 4A0        C-13-H3C-13-H2C-13-N
  879402.9670  0.0556 -5.2563 3 2148.2427205  58516 303A23072      A13071        C-13-H3C-13-H2C-13-N
  879402.9670  0.0556 -5.2563 3 2148.2427205  58516 303A23073      A13072        C-13-H3C-13-H2C-13-N
  879414.5929  0.0091 -5.3176 3  308.5938 95  58516 30347 444      46 245        C-13-H3C-13-H2C-13-N
  879503.6020  0.0500 -3.9465 3 1534.2854203 -58516 303A11091      A01090        C-13-H3C-13-H2C-13-N
  879600.4666  0.0181 -5.1976 3 1448.3612199  58516 30399 892      98 791        C-13-H3C-13-H2C-13-N
  879626.8504  0.0091 -4.6081 3  308.5867 95  58516 30347 444      46 145        C-13-H3C-13-H2C-13-N
  879702.3010  0.0500 -3.9716 3 1548.6865205 -58516 303A2 994      A1 993        C-13-H3C-13-H2C-13-N
  879711.7066  0.0040 -5.5275 3  589.0226121  58516 303601150      60 951        C-13-H3C-13-H2C-13-N
  879789.6262  0.0031 -5.0618 3  255.9871 83  58516 30341 735      40 536        C-13-H3C-13-H2C-13-N
  879810.0634  0.0040 -5.5274 3  589.0194121  58516 303601149      60 952        C-13-H3C-13-H2C-13-N
  879831.6893  0.0699 -5.3513 3 2192.7042205  58516 303A23171      A13170        C-13-H3C-13-H2C-13-N
  879831.6893  0.0699 -5.3513 3 2192.7042205  58516 303A23172      A13171        C-13-H3C-13-H2C-13-N
  879917.8090  0.0300 -3.6525 3  542.3207119 -58516 30359 951      58 850        C-13-H3C-13-H2C-13-N
  879937.0730  0.0500 -4.0645 3 1592.2495205 -58516 303A21291      A11290        C-13-H3C-13-H2C-13-N
  880083.2028  0.0033 -5.0464 3  280.5846 87  58516 30343 736      42 537        C-13-H3C-13-H2C-13-N
  880173.6600  0.0500 -4.0643 3 1592.2851205 -58516 303A21290      A11289        C-13-H3C-13-H2C-13-N
  880281.7589  0.0875 -5.4492 3 2238.5104205  58516 303A23270      A13269        C-13-H3C-13-H2C-13-N
  880281.7589  0.0875 -5.4492 3 2238.5104205  58516 303A23271      A13270        C-13-H3C-13-H2C-13-N
  880314.4560  0.0500 -3.9071 3 1516.2862203 -58516 303A1 893      A0 892        C-13-H3C-13-H2C-13-N
  880497.9195  0.0203 -5.0137 3  274.3474 91  58516 30345 243      44 144        C-13-H3C-13-H2C-13-N
  880639.8010  0.0039 -5.5126 3  571.6741119  58516 303591149      59 950        C-13-H3C-13-H2C-13-N
  880713.8087  0.0039 -5.5125 3  571.6716119  58516 303591148      59 951        C-13-H3C-13-H2C-13-N
  880752.0991  0.1088 -5.5500 3 2285.6498205  58516 303A23369      A13368        C-13-H3C-13-H2C-13-N
  880752.0991  0.1088 -5.5500 3 2285.6498205  58516 303A23370      A13369        C-13-H3C-13-H2C-13-N
  880758.3330  0.0300 -3.6518 3  542.2951119 -58516 30359 950      58 851        C-13-H3C-13-H2C-13-N
  880919.4801  0.0083 -5.1283 3 1584.7413213  58516 303A6 3A3      A5 4A2        C-13-H3C-13-H2C-13-N
  880919.7470  0.0500 -4.0270 3 1584.7413213 -58516 303A6 4A3      A5 4A2        C-13-H3C-13-H2C-13-N
  880919.7470  0.0500 -4.0270 3 1584.7412213 -58516 303A6 3A3      A5 3A2        C-13-H3C-13-H2C-13-N
  880920.0559  0.0083 -5.1283 3 1584.7412213  58516 303A6 4A3      A5 3A2        C-13-H3C-13-H2C-13-N
  881081.0825  0.0040 -4.5870 3  296.9019 91  58516 30345 640      44 341        C-13-H3C-13-H2C-13-N
  881217.4360  0.0500 -4.0290 3 1576.2755205 -58516 303A21192      A11191        C-13-H3C-13-H2C-13-N
  881509.5279  0.0038 -5.4987 3  554.6157117  58516 303581148      58 949        C-13-H3C-13-H2C-13-N
  881564.8898  0.0038 -5.4987 3  554.6138117  58516 303581147      58 950        C-13-H3C-13-H2C-13-N
  881683.1700  0.0500 -3.9980 3 1561.9768205 -58516 303A21093      A11092        C-13-H3C-13-H2C-13-N
  881837.4267  0.0082 -5.4179 3  619.7416129  58516 30364 857      64 560        C-13-H3C-13-H2C-13-N
  881847.4663  0.0117 -5.5307 3  628.0134131  58516 30365 759      65 462        C-13-H3C-13-H2C-13-N
  882079.3550  0.0300 -3.3435 3  400.1608 97 -58516 303481138      471037        C-13-H3C-13-H2C-13-N
  882079.3550  0.0300 -3.3435 3  400.1608 97 -58516 303481137      471038        C-13-H3C-13-H2C-13-N
  882324.0030  0.0037 -5.4860 3  537.8474115  58516 303571147      57 948        C-13-H3C-13-H2C-13-N
  882365.1686  0.0037 -5.4859 3  537.8460115  58516 303571146      57 949        C-13-H3C-13-H2C-13-N
  882388.6746  0.3568 -5.5069 3  916.2577 89  58516 303443014      452917        C-13-H3C-13-H2C-13-N
  882388.6746  0.3568 -5.5069 3  916.2577 89  58516 303443015      452916        C-13-H3C-13-H2C-13-N
  882625.0480  0.0500 -5.1008 3 1593.9210215 -58516 303A7 2A5      A6 3A4        C-13-H3C-13-H2C-13-N
  882625.0480  0.0500 -4.0400 3 1593.9210215 -58516 303A7 3A5      A6 3A4        C-13-H3C-13-H2C-13-N
  882625.0480  0.0500 -4.0400 3 1593.9210215 -58516 303A7 2A5      A6 2A4        C-13-H3C-13-H2C-13-N
  882625.0480  0.0500 -5.1008 3 1593.9210215 -58516 303A7 3A5      A6 2A4        C-13-H3C-13-H2C-13-N
  882681.7577  0.0029 -5.3314 3  152.5016 61  58516 30330 822      29 623        C-13-H3C-13-H2C-13-N
  882705.9981  0.0029 -5.3314 3  152.5008 61  58516 30330 823      29 624        C-13-H3C-13-H2C-13-N
  882822.9520  0.0070 -5.2999 3 1579.0077209  58516 303A4 698      A3 797        C-13-H3C-13-H2C-13-N
  882832.4580  0.0500 -3.9969 3 1564.4466207 -58516 303A3 896      A2 895        C-13-H3C-13-H2C-13-N
  882839.1646  0.0081 -4.0280 3 1576.5642205  58516 303A21191      A11190        C-13-H3C-13-H2C-13-N
  883052.6331  0.0073 -5.0126 3  471.7300115  58516 30357 552      56 353        C-13-H3C-13-H2C-13-N
  883086.1024  0.0036 -5.4743 3  521.3692113  58516 303561146      56 947        C-13-H3C-13-H2C-13-N
  883116.5233  0.0036 -5.4743 3  521.3682113  58516 303561145      56 948        C-13-H3C-13-H2C-13-N
  883568.5136  0.0072 -4.1968 3  565.4884125  58516 30362 656      61 557        C-13-H3C-13-H2C-13-N
  883798.4952  0.0036 -5.4637 3  505.1809111  58516 303551145      55 946        C-13-H3C-13-H2C-13-N
  883820.8331  0.0036 -5.4637 3  505.1802111  58516 303551144      55 947        C-13-H3C-13-H2C-13-N
  883919.3630  0.0300 -3.2419 3  350.7668 87 -58516 303431232      421131        C-13-H3C-13-H2C-13-N
  883919.3630  0.0300 -3.2419 3  350.7668 87 -58516 303431231      421132        C-13-H3C-13-H2C-13-N
  884063.4956  0.0171 -5.2379 3 1476.8603201  58516 303A0 893      99 792        C-13-H3C-13-H2C-13-N
  884178.8170  0.0051 -5.1027 3  343.8634 99  58516 30349 545      48 346        C-13-H3C-13-H2C-13-N
  884341.4357  0.0070 -4.0213 3 1579.0077209  58516 303A4 798      A3 797        C-13-H3C-13-H2C-13-N
  884353.4460  0.0500 -5.0762 3 1602.0104217 -58516 303A8 1A7      A7 2A6        C-13-H3C-13-H2C-13-N
  884353.4460  0.0500 -4.0506 3 1602.0104217 -58516 303A8 1A7      A7 1A6        C-13-H3C-13-H2C-13-N
  884353.4460  0.0500 -4.0506 3 1602.0104217 -58516 303A8 2A7      A7 2A6        C-13-H3C-13-H2C-13-N
  884353.4460  0.0500 -5.0762 3 1602.0104217 -58516 303A8 2A7      A7 1A6        C-13-H3C-13-H2C-13-N
  884463.6708  0.0035 -5.4543 3  489.2825109  58516 303541144      54 945        C-13-H3C-13-H2C-13-N
  884479.9661  0.0035 -5.4543 3  489.2820109  58516 303541143      54 946        C-13-H3C-13-H2C-13-N
  884609.7910  0.0500 -3.9204 3 1524.6186203 -58516 303A1 992      A0 991        C-13-H3C-13-H2C-13-N
  884618.8690  0.0500 -4.0209 3 1578.9478209 -58516 303A4 698      A3 697        C-13-H3C-13-H2C-13-N
  884788.4897  0.2567 -5.4974 3  812.7159 79  58516 303392910      402813        C-13-H3C-13-H2C-13-N
  884788.4897  0.2567 -5.4974 3  812.7159 79  58516 303392911      402812        C-13-H3C-13-H2C-13-N
  884838.8926  0.0034 -5.0383 3  293.1655 89  58516 30344 737      43 538        C-13-H3C-13-H2C-13-N
  884960.4940  0.0300 -3.1614 3  310.0952 77 -58516 303381325      371226        C-13-H3C-13-H2C-13-N
  884960.4940  0.0300 -3.1614 3  310.0952 77 -58516 303381326      371225        C-13-H3C-13-H2C-13-N
  885004.9987  0.0201 -5.0110 3  274.3471 91  58516 30345 343      44 044        C-13-H3C-13-H2C-13-N
  885040.2010  0.0500 -3.9935 3 1563.8894207 -58516 303A3 796      A2 795        C-13-H3C-13-H2C-13-N
  885083.9628  0.0035 -5.4460 3  473.6740107  58516 303531143      53 944        C-13-H3C-13-H2C-13-N
  885094.0540  0.0078 -4.4563 3 1780.4247207  58516 303A31984      A21983        C-13-H3C-13-H2C-13-N
  885094.0540  0.0078 -4.4563 3 1780.4247207  58516 303A31985      A21984        C-13-H3C-13-H2C-13-N
  885095.7698  0.0035 -5.4460 3  473.6736107  58516 303531142      53 945        C-13-H3C-13-H2C-13-N
  885121.7362  0.0085 -4.5181 3 1809.3304207  58516 303A32083      A22082        C-13-H3C-13-H2C-13-N
  885121.7362  0.0085 -4.5181 3 1809.3304207  58516 303A32084      A22083        C-13-H3C-13-H2C-13-N
  885139.6900  0.0500 -4.3976 3 1753.0163207 -58516 303A31886      A21885        C-13-H3C-13-H2C-13-N
  885139.6900  0.0500 -4.3976 3 1753.0163207 -58516 303A31885      A21884        C-13-H3C-13-H2C-13-N
  885211.1797  0.0095 -4.5831 3 1839.7162207  58516 303A32182      A22181        C-13-H3C-13-H2C-13-N
  885211.1797  0.0095 -4.5831 3 1839.7162207  58516 303A32183      A22182        C-13-H3C-13-H2C-13-N
  885274.4946  0.0068 -4.3421 3 1727.1252207  58516 303A31787      A21786        C-13-H3C-13-H2C-13-N
  885274.4953  0.0068 -4.3421 3 1727.1252207  58516 303A31786      A21785        C-13-H3C-13-H2C-13-N
  885275.6897  0.0040 -3.8973 3  638.5874131  58516 30365 857      64 758        C-13-H3C-13-H2C-13-N
  885295.4980  0.0300 -2.9953 3  234.0921 37 -58516 3031817 1      1716 2        C-13-H3C-13-H2C-13-N
  885295.4980  0.0300 -2.9953 3  234.0921 37 -58516 3031817 2      1716 1        C-13-H3C-13-H2C-13-N
  885353.6172  0.0109 -4.6512 3 1871.5669207  58516 303A32281      A22280        C-13-H3C-13-H2C-13-N
  885353.6172  0.0109 -4.6512 3 1871.5669207  58516 303A32282      A22281        C-13-H3C-13-H2C-13-N
  885503.2270  0.0300 -3.0994 3  278.1069 67 -58516 303331419      321320        C-13-H3C-13-H2C-13-N
  885503.2270  0.0300 -3.0994 3  278.1069 67 -58516 303331420      321319        C-13-H3C-13-H2C-13-N
  885520.3410  0.0500 -4.2897 3 1702.7755207 -58516 303A31688      A21687        C-13-H3C-13-H2C-13-N
  885520.3410  0.0500 -4.2897 3 1702.7755207 -58516 303A31687      A21686        C-13-H3C-13-H2C-13-N
  885542.2796  0.0129 -4.7223 3 1904.8686207  58516 303A32380      A22379        C-13-H3C-13-H2C-13-N
  885542.2796  0.0129 -4.7223 3 1904.8686207  58516 303A32381      A22380        C-13-H3C-13-H2C-13-N
  885558.3109  0.0044 -5.4242 3  149.8696 65  58516 30332 626      31 329        C-13-H3C-13-H2C-13-N
  885584.1067  0.0082 -5.2466 3 1592.0680211  58516 303A5 5A0      A4 699        C-13-H3C-13-H2C-13-N
  885612.5600  0.0300 -3.0208 3  240.1117 47 -58516 3032316 7      2215 8        C-13-H3C-13-H2C-13-N
  885612.5600  0.0300 -3.0208 3  240.1117 47 -58516 3032316 8      2215 7        C-13-H3C-13-H2C-13-N
  885661.5685  0.0034 -5.4389 3  458.3552105  58516 303521142      52 943        C-13-H3C-13-H2C-13-N
  885670.0638  0.0034 -5.4389 3  458.3550105  58516 303521141      52 944        C-13-H3C-13-H2C-13-N
  885693.9977  0.0082 -4.0427 3 1592.0680211  58516 303A5 6A0      A4 699        C-13-H3C-13-H2C-13-N
  885695.3100  0.0500 -3.0536 3  254.7821 57 -58516 303281513      271414        C-13-H3C-13-H2C-13-N
  885695.3100  0.0500 -3.0536 3  254.7821 57 -58516 303281514      271413        C-13-H3C-13-H2C-13-N
  885716.4030  0.0500 -4.0426 3 1592.0636211 -58516 303A5 5A0      A4 599        C-13-H3C-13-H2C-13-N
  885771.8446  0.0156 -4.7964 3 1939.6084207  58516 303A32479      A22478        C-13-H3C-13-H2C-13-N
  885771.8446  0.0156 -4.7964 3 1939.6084207  58516 303A32480      A22479        C-13-H3C-13-H2C-13-N
  885826.3107  0.0082 -5.2463 3 1592.0636211  58516 303A5 6A0      A4 599        C-13-H3C-13-H2C-13-N
  885909.2574  0.0061 -4.2406 3 1679.9983207  58516 303A31589      A21588        C-13-H3C-13-H2C-13-N
  885909.4712  0.0061 -4.2406 3 1679.9983207  58516 303A31588      A21587        C-13-H3C-13-H2C-13-N
  886038.0605  0.0193 -4.8736 3 1975.7738207  58516 303A32578      A22577        C-13-H3C-13-H2C-13-N
  886038.0605  0.0193 -4.8736 3 1975.7738207  58516 303A32579      A22578        C-13-H3C-13-H2C-13-N
  886079.6190  0.0500 -4.0591 3 1609.0626219 -58516 303A9 0A9      A8 0A8        C-13-H3C-13-H2C-13-N
  886079.6190  0.0500 -5.0536 3 1609.0626219 -58516 303A9 0A9      A8 1A8        C-13-H3C-13-H2C-13-N
  886079.6190  0.0500 -5.0536 3 1609.0626219 -58516 303A9 1A9      A8 0A8        C-13-H3C-13-H2C-13-N
  886079.6190  0.0500 -4.0591 3 1609.0626219 -58516 303A9 1A9      A8 1A8        C-13-H3C-13-H2C-13-N
  886137.3153  0.0074 -5.2965 3 1578.9478209  58516 303A4 798      A3 697        C-13-H3C-13-H2C-13-N
  886198.5657  0.0034 -5.4330 3  443.3262103  58516 303511141      51 942        C-13-H3C-13-H2C-13-N
  886204.6339  0.0034 -5.4330 3  443.3260103  58516 303511140      51 943        C-13-H3C-13-H2C-13-N
  886337.4806  0.0242 -4.9539 3 2013.3530207  58516 303A32677      A22676        C-13-H3C-13-H2C-13-N
  886337.4806  0.0242 -4.9539 3 2013.3530207  58516 303A32678      A22677        C-13-H3C-13-H2C-13-N
  886489.3537  0.0059 -4.1948 3 1658.8347207  58516 303A31490      A21489        C-13-H3C-13-H2C-13-N
  886492.2199  0.0059 -4.1948 3 1658.8350207  58516 303A31489      A21488        C-13-H3C-13-H2C-13-N
  886667.2744  0.0305 -5.0371 3 2052.3343207  58516 303A32776      A22775        C-13-H3C-13-H2C-13-N
  886667.2744  0.0305 -5.0371 3 2052.3343207  58516 303A32777      A22776        C-13-H3C-13-H2C-13-N
  886696.9264  0.0034 -5.4283 3  428.5869101  58516 303501140      50 941        C-13-H3C-13-H2C-13-N
  886701.2287  0.0034 -5.4283 3  428.5868101  58516 303501139      50 942        C-13-H3C-13-H2C-13-N
  886732.4898  0.0049 -4.4193 3  343.7782 99  58516 30349 545      48 246        C-13-H3C-13-H2C-13-N
  887025.0880  0.0384 -5.1232 3 2092.7062207  58516 303A32875      A22874        C-13-H3C-13-H2C-13-N
  887025.0880  0.0384 -5.1232 3 2092.7062207  58516 303A32876      A22875        C-13-H3C-13-H2C-13-N
  887088.9990  0.0300 -3.4898 3  473.6740109 -58516 303541045      53 944        C-13-H3C-13-H2C-13-N
  887101.5350  0.0300 -3.4898 3  473.6736109 -58516 303541044      53 945        C-13-H3C-13-H2C-13-N
  887158.5294  0.0033 -5.4248 3  414.1372 99  58516 303491139      49 940        C-13-H3C-13-H2C-13-N
  887161.5561  0.0033 -5.4248 3  414.1371 99  58516 303491138      49 941        C-13-H3C-13-H2C-13-N
  887211.8577  0.0089 -5.2079 3 1603.7279213  58516 303A6 4A2      A5 5A1        C-13-H3C-13-H2C-13-N
  887217.5438  0.0089 -4.0610 3 1603.7279213  58516 303A6 5A2      A5 5A1        C-13-H3C-13-H2C-13-N
  887218.8028  0.0089 -4.0610 3 1603.7277213  58516 303A6 4A2      A5 4A1        C-13-H3C-13-H2C-13-N
  887224.4890  0.0089 -5.2079 3 1603.7277213  58516 303A6 5A2      A5 4A1        C-13-H3C-13-H2C-13-N
  887330.7513  0.0058 -4.1523 3 1639.3427207  58516 303A31391      A21390        C-13-H3C-13-H2C-13-N
  887362.6240  0.0059 -4.1522 3 1639.3470207  58516 303A31390      A21389        C-13-H3C-13-H2C-13-N
  887408.9410  0.0484 -5.2124 3 2134.4573207  58516 303A32974      A22973        C-13-H3C-13-H2C-13-N
  887408.9410  0.0484 -5.2124 3 2134.4573207  58516 303A32975      A22974        C-13-H3C-13-H2C-13-N
  887585.1695  0.0033 -5.4226 3  399.9772 97  58516 303481138      48 939        C-13-H3C-13-H2C-13-N
  887587.2816  0.0033 -5.4226 3  399.9771 97  58516 303481137      48 940        C-13-H3C-13-H2C-13-N
  887646.3830  0.0300 -3.6783 3  559.4107121 -58516 30360 952      59 851        C-13-H3C-13-H2C-13-N
  887761.1245  0.0031 -5.0506 3  267.8766 85  58516 30342 736      41 537        C-13-H3C-13-H2C-13-N
  887787.4254  0.0086 -5.4362 3  638.3716131  58516 30365 858      65 561        C-13-H3C-13-H2C-13-N
  887817.1491  0.0608 -5.3044 3 2177.5765207  58516 303A33073      A23072        C-13-H3C-13-H2C-13-N
  887817.1491  0.0608 -5.3044 3 2177.5765207  58516 303A33074      A23073        C-13-H3C-13-H2C-13-N
  887867.9410  0.0500 -4.0207 3 1578.0302207 -58516 303A3 995      A2 994        C-13-H3C-13-H2C-13-N
  887897.5797  0.0126 -5.4751 3 1623.6086211  58516 303A5 798      A4 897        C-13-H3C-13-H2C-13-N
  887978.5660  0.0033 -5.4217 3  386.1066 95  58516 303471137      47 938        C-13-H3C-13-H2C-13-N
  887980.0276  0.0033 -5.4217 3  386.1066 95  58516 303471136      47 939        C-13-H3C-13-H2C-13-N
  888010.1778  0.0041 -4.5507 3  310.0108 93  58516 30346 641      45 342        C-13-H3C-13-H2C-13-N
  888048.2700  0.0500 -3.9567 3 1545.6504205 -58516 303A2 894      A1 893        C-13-H3C-13-H2C-13-N
  888248.2644  0.0760 -5.3994 3 2222.0523207  58516 303A33172      A23171        C-13-H3C-13-H2C-13-N
  888248.2644  0.0760 -5.3994 3 2222.0523207  58516 303A33173      A23172        C-13-H3C-13-H2C-13-N
  888274.7935  0.0084 -5.4621 3  594.9611125  58516 30362 953      62 656        C-13-H3C-13-H2C-13-N
  888340.3699  0.0033 -5.4221 3  372.5257 93  58516 303461136      46 937        C-13-H3C-13-H2C-13-N
  888341.3726  0.0033 -5.4221 3  372.5256 93  58516 303461135      46 938        C-13-H3C-13-H2C-13-N
  888491.2125  0.0061 -4.1132 3 1621.6010207  58516 303A31292      A21291        C-13-H3C-13-H2C-13-N
  888580.2658  0.0125 -3.9946 3 1563.6224205  58516 303A21092      A11091        C-13-H3C-13-H2C-13-N
  888672.1698  0.0032 -5.4239 3  359.2341 91  58516 303451135      45 936        C-13-H3C-13-H2C-13-N
  888672.8514  0.0032 -5.4239 3  359.2341 91  58516 303451134      45 937        C-13-H3C-13-H2C-13-N
  888701.0296  0.0946 -5.4972 3 2267.8734207  58516 303A33271      A23270        C-13-H3C-13-H2C-13-N
  888701.0296  0.0946 -5.4972 3 2267.8734207  58516 303A33272      A23271        C-13-H3C-13-H2C-13-N
  888729.8160  0.0300 -3.6775 3  559.3778121 -58516 30360 951      59 852        C-13-H3C-13-H2C-13-N
  888775.0750  0.0068 -4.1130 3 1621.6446207  58516 303A31291      A21290        C-13-H3C-13-H2C-13-N
  888865.0257  0.0093 -5.1766 3 1614.1256215  58516 303A7 3A4      A6 4A3        C-13-H3C-13-H2C-13-N
  888865.2640  0.0500 -4.0766 3 1614.1256215 -58516 303A7 4A4      A6 4A3        C-13-H3C-13-H2C-13-N
  888865.2640  0.0500 -4.0766 3 1614.1256215 -58516 303A7 3A4      A6 3A3        C-13-H3C-13-H2C-13-N
  888865.4914  0.0093 -5.1766 3 1614.1256215  58516 303A7 4A4      A6 3A3        C-13-H3C-13-H2C-13-N
  888892.8907  0.0161 -5.2790 3 1505.6145203  58516 303A1 894      A0 793        C-13-H3C-13-H2C-13-N
  888975.4965  0.0032 -5.4270 3  346.2321 89  58516 303441134      44 935        C-13-H3C-13-H2C-13-N
  888975.9555  0.0032 -5.4270 3  346.2321 89  58516 303441133      44 936        C-13-H3C-13-H2C-13-N
  889008.1602  0.0059 -4.9105 3  547.0718123  58516 30361 655      60 456        C-13-H3C-13-H2C-13-N
  889182.8192  0.0035 -5.0312 3  306.0521 91  58516 30345 738      44 539        C-13-H3C-13-H2C-13-N
  889251.8276  0.0032 -5.4316 3  333.5194 87  58516 303431133      43 934        C-13-H3C-13-H2C-13-N
  889252.1337  0.0032 -5.4316 3  333.5194 87  58516 303431132      43 935        C-13-H3C-13-H2C-13-N
  889502.5907  0.0032 -5.4377 3  321.0962 85  58516 303421132      42 933        C-13-H3C-13-H2C-13-N
  889502.7927  0.0032 -5.4377 3  321.0962 85  58516 303421131      42 934        C-13-H3C-13-H2C-13-N
  889710.0455  0.0042 -4.9978 3  351.7201 99  58516 30349 644      48 445        C-13-H3C-13-H2C-13-N
  889729.1668  0.0031 -5.4453 3  308.9623 83  58516 303411131      41 932        C-13-H3C-13-H2C-13-N
  889729.2987  0.0031 -5.4453 3  308.9623 83  58516 303411130      41 933        C-13-H3C-13-H2C-13-N
  889763.5569  0.0065 -4.0778 3 1605.6697207  58516 303A31193      A21192        C-13-H3C-13-H2C-13-N
  889932.8925  0.0031 -5.4545 3  297.1177 81  58516 303401130      40 931        C-13-H3C-13-H2C-13-N
  889932.9776  0.0031 -5.4545 3  297.1177 81  58516 303401129      40 932        C-13-H3C-13-H2C-13-N
  890093.8650  0.0500 -4.0470 3 1591.3866207 -58516 303A31094      A21093        C-13-H3C-13-H2C-13-N
  890115.0621  0.0031 -5.4653 3  285.5624 79  58516 303391129      39 930        C-13-H3C-13-H2C-13-N
  890115.1164  0.0031 -5.4653 3  285.5624 79  58516 303391128      39 931        C-13-H3C-13-H2C-13-N
  890276.9302  0.0031 -5.4778 3  274.2964 77  58516 303381128      38 929        C-13-H3C-13-H2C-13-N
  890276.9644  0.0031 -5.4778 3  274.2964 77  58516 303381127      38 930        C-13-H3C-13-H2C-13-N
  890419.7123  0.0030 -5.4921 3  263.3196 75  58516 303371127      37 928        C-13-H3C-13-H2C-13-N
  890419.7336  0.0030 -5.4921 3  263.3195 75  58516 303371126      37 929        C-13-H3C-13-H2C-13-N
  890544.5870  0.0030 -5.5083 3  252.6320 73  58516 303361126      36 927        C-13-H3C-13-H2C-13-N
  890544.6001  0.0030 -5.5083 3  252.6320 73  58516 303361125      36 928        C-13-H3C-13-H2C-13-N
  890574.2310  0.0500 -5.1498 3 1623.3622217 -58516 303A8 2A6      A7 3A5        C-13-H3C-13-H2C-13-N
  890574.2310  0.0500 -4.0897 3 1623.3622217 -58516 303A8 3A6      A7 3A5        C-13-H3C-13-H2C-13-N
  890574.2310  0.0500 -4.0897 3 1623.3622217 -58516 303A8 2A6      A7 2A5        C-13-H3C-13-H2C-13-N
  890574.2310  0.0500 -5.1498 3 1623.3622217 -58516 303A8 3A6      A7 2A5        C-13-H3C-13-H2C-13-N
  890579.3120  0.0300 -3.3599 3  414.0231 99 -58516 303491139      481038        C-13-H3C-13-H2C-13-N
  890579.3120  0.0300 -3.3599 3  414.0231 99 -58516 303491138      481039        C-13-H3C-13-H2C-13-N
  890652.6968  0.0030 -5.5263 3  242.2335 71  58516 303351125      35 926        C-13-H3C-13-H2C-13-N
  890652.7047  0.0030 -5.5263 3  242.2335 71  58516 303351124      35 927        C-13-H3C-13-H2C-13-N
  890745.1492  0.0030 -5.5465 3  232.1243 69  58516 303341124      34 925        C-13-H3C-13-H2C-13-N
  890745.1539  0.0030 -5.5465 3  232.1243 69  58516 303341123      34 926        C-13-H3C-13-H2C-13-N
  890799.7070  0.0500 -4.0464 3 1593.8948209 -58516 303A4 897      A3 896        C-13-H3C-13-H2C-13-N
  890835.7780  0.3569 -5.5199 3  903.1971 87  58516 303433013      442916        C-13-H3C-13-H2C-13-N
  890835.7780  0.3569 -5.5199 3  903.1971 87  58516 303433014      442915        C-13-H3C-13-H2C-13-N
  890976.9727  0.0082 -5.3448 3 1608.5062211  58516 303A5 699      A4 798        C-13-H3C-13-H2C-13-N
  890997.5632  0.0029 -5.3031 3  161.1797 63  58516 30331 823      30 624        C-13-H3C-13-H2C-13-N
  891033.6451  0.0029 -5.3031 3  161.1785 63  58516 30331 824      30 625        C-13-H3C-13-H2C-13-N
  891645.9340  0.0500 -4.0767 3 1606.0125207 -58516 303A31192      A21191        C-13-H3C-13-H2C-13-N
  892153.5616  0.0078 -4.0938 3  647.8969133  58516 30366 759      65 660        C-13-H3C-13-H2C-13-N
  892259.7930  0.0500 -4.0710 3 1608.5062211 -58516 303A5 799      A4 798        C-13-H3C-13-H2C-13-N
  892304.8930  0.0500 -5.1258 3 1631.5093219 -58516 303A9 1A8      A8 2A7        C-13-H3C-13-H2C-13-N
  892304.8930  0.0500 -4.1005 3 1631.5093219 -58516 303A9 1A8      A8 1A7        C-13-H3C-13-H2C-13-N
  892304.8930  0.0500 -4.1005 3 1631.5093219 -58516 303A9 2A8      A8 2A7        C-13-H3C-13-H2C-13-N
  892304.8930  0.0500 -5.1258 3 1631.5093219 -58516 303A9 2A8      A8 1A7        C-13-H3C-13-H2C-13-N
  892495.3940  0.0500 -4.0707 3 1608.4555211 -58516 303A5 699      A4 698        C-13-H3C-13-H2C-13-N
  892521.8550  0.0300 -3.2549 3  363.1817 89 -58516 303441233      431132        C-13-H3C-13-H2C-13-N
  892521.8550  0.0300 -3.2549 3  363.1817 89 -58516 303441232      431133        C-13-H3C-13-H2C-13-N
  892740.4520  0.0500 -4.0435 3 1593.4111209 -58516 303A4 797      A3 796        C-13-H3C-13-H2C-13-N
  893108.5084  0.0036 -5.0251 3  319.2448 93  58516 30346 739      45 540        C-13-H3C-13-H2C-13-N
  893195.0030  0.0500 -3.9694 3 1554.1260205 -58516 303A2 993      A1 992        C-13-H3C-13-H2C-13-N
  893273.0051  0.2568 -5.5334 3  801.1070 77  58516 3033829 9      392812        C-13-H3C-13-H2C-13-N
  893273.0051  0.2568 -5.5334 3  801.1070 77  58516 303382910      392811        C-13-H3C-13-H2C-13-N
  893511.9757  0.0094 -4.5054 3 1809.9482209  58516 303A41985      A31984        C-13-H3C-13-H2C-13-N
  893511.9757  0.0094 -4.5054 3 1809.9482209  58516 303A41986      A31985        C-13-H3C-13-H2C-13-N
  893528.3719  0.0094 -5.2936 3 1621.6116213  58516 303A6 5A1      A5 6A0        C-13-H3C-13-H2C-13-N
  893534.2500  0.0102 -4.5672 3 1838.8549209  58516 303A42084      A32083        C-13-H3C-13-H2C-13-N
  893534.2500  0.0102 -4.5672 3 1838.8549209  58516 303A42085      A32084        C-13-H3C-13-H2C-13-N
  893564.7930  0.0500 -4.4467 3 1782.5414209 -58516 303A41887      A31886        C-13-H3C-13-H2C-13-N
  893564.7930  0.0500 -4.4467 3 1782.5414209 -58516 303A41886      A31885        C-13-H3C-13-H2C-13-N
  893619.6029  0.0094 -4.0926 3 1621.6116213  58516 303A6 6A1      A5 6A0        C-13-H3C-13-H2C-13-N
  893619.7121  0.0114 -4.6321 3 1869.2436209  58516 303A42183      A32182        C-13-H3C-13-H2C-13-N
  893619.7121  0.0114 -4.6321 3 1869.2436209  58516 303A42184      A32183        C-13-H3C-13-H2C-13-N
  893619.9300  0.0300 -3.1711 3  321.0669 79 -58516 303391326      381227        C-13-H3C-13-H2C-13-N
  893619.9300  0.0300 -3.1711 3  321.0669 79 -58516 303391327      381226        C-13-H3C-13-H2C-13-N
  893638.2930  0.0500 -4.0926 3 1621.6079213 -58516 303A6 5A1      A5 5A0        C-13-H3C-13-H2C-13-N
  893709.1418  0.0082 -4.3912 3 1756.6547209  58516 303A41788      A31787        C-13-H3C-13-H2C-13-N
  893709.1428  0.0082 -4.3912 3 1756.6547209  58516 303A41787      A31786        C-13-H3C-13-H2C-13-N
  893729.4938  0.0094 -5.2934 3 1621.6079213  58516 303A6 6A1      A5 5A0        C-13-H3C-13-H2C-13-N
  893759.3286  0.0130 -4.7001 3 1901.0991209  58516 303A42282      A32281        C-13-H3C-13-H2C-13-N
  893759.3286  0.0130 -4.7001 3 1901.0991209  58516 303A42283      A32282        C-13-H3C-13-H2C-13-N
  893778.2704  0.0084 -5.3420 3 1608.4555211  58516 303A5 799      A4 698        C-13-H3C-13-H2C-13-N
  893946.1319  0.0152 -4.7712 3 1934.4071209  58516 303A42381      A32380        C-13-H3C-13-H2C-13-N
  893946.1319  0.0152 -4.7712 3 1934.4071209  58516 303A42382      A32381        C-13-H3C-13-H2C-13-N
  893967.6130  0.0500 -4.3389 3 1732.3133209 -58516 303A41689      A31688        C-13-H3C-13-H2C-13-N
  893967.6130  0.0500 -4.3389 3 1732.3133209 -58516 303A41688      A31687        C-13-H3C-13-H2C-13-N
  894011.2570  0.0300 -2.9969 3  239.2965 39 -58516 3031917 2      1816 3        C-13-H3C-13-H2C-13-N
  894011.2570  0.0300 -2.9969 3  239.2965 39 -58516 3031917 3      1816 2        C-13-H3C-13-H2C-13-N
  894032.6600  0.0500 -4.1092 3 1638.6190221 -58516 303B0 0B0      A9 0A9        C-13-H3C-13-H2C-13-N
  894032.6600  0.0500 -5.1035 3 1638.6190221 -58516 303B0 0B0      A9 1A9        C-13-H3C-13-H2C-13-N
  894032.6600  0.0500 -5.1035 3 1638.6190221 -58516 303B0 1B0      A9 0A9        C-13-H3C-13-H2C-13-N
  894032.6600  0.0500 -4.1092 3 1638.6190221 -58516 303B0 1B0      A9 1A9        C-13-H3C-13-H2C-13-N
  894060.6867  0.0154 -5.3209 3 1534.6240205  58516 303A2 895      A1 794        C-13-H3C-13-H2C-13-N
  894174.6488  0.0182 -4.8454 3 1969.1546209  58516 303A42480      A32479        C-13-H3C-13-H2C-13-N
  894174.6488  0.0182 -4.8454 3 1969.1546209  58516 303A42481      A32480        C-13-H3C-13-H2C-13-N
  894194.4220  0.0300 -3.1061 3  287.6371 69 -58516 303341420      331321        C-13-H3C-13-H2C-13-N
  894194.4220  0.0300 -3.1061 3  287.6371 69 -58516 303341421      331320        C-13-H3C-13-H2C-13-N
  894299.2283  0.0090 -5.4565 3  657.2734133  58516 30366 859      66 562        C-13-H3C-13-H2C-13-N
  894327.5880  0.0300 -3.0230 3  246.7589 49 -58516 3032416 8      2315 9        C-13-H3C-13-H2C-13-N
  894327.5880  0.0300 -3.0230 3  246.7589 49 -58516 3032416 9      2315 8        C-13-H3C-13-H2C-13-N
  894373.5156  0.0074 -4.2898 3 1709.5490209  58516 303A41590      A31589        C-13-H3C-13-H2C-13-N
  894373.7898  0.0074 -4.2898 3 1709.5491209  58516 303A41589      A31588        C-13-H3C-13-H2C-13-N
  894403.1740  0.0300 -3.0578 3  262.8711 59 -58516 303291514      281415        C-13-H3C-13-H2C-13-N
  894403.1740  0.0300 -3.0578 3  262.8711 59 -58516 303291515      281414        C-13-H3C-13-H2C-13-N
  894440.5095  0.0223 -4.9226 3 2005.3289209  58516 303A42579      A32578        C-13-H3C-13-H2C-13-N
  894440.5095  0.0223 -4.9226 3 2005.3289209  58516 303A42580      A32579        C-13-H3C-13-H2C-13-N
  894543.9280  0.0300 -3.9310 3  657.4286133 -58516 30366 858      65 759        C-13-H3C-13-H2C-13-N
  894740.1742  0.0275 -5.0028 3 2042.9180209  58516 303A42678      A32677        C-13-H3C-13-H2C-13-N
  894740.1742  0.0275 -5.0028 3 2042.9180209  58516 303A42679      A32678        C-13-H3C-13-H2C-13-N
  894976.9980  0.0500 -4.2440 3 1688.4048209 -58516 303A41491      A31490        C-13-H3C-13-H2C-13-N
  894980.4428  0.0072 -4.2440 3 1688.4052209  58516 303A41490      A31489        C-13-H3C-13-H2C-13-N
  895070.7372  0.0342 -5.0859 3 2081.9103209  58516 303A42777      A32776        C-13-H3C-13-H2C-13-N
  895070.7372  0.0342 -5.0859 3 2081.9103209  58516 303A42778      A32777        C-13-H3C-13-H2C-13-N
  895148.5061  0.0102 -5.2560 3 1633.3223215  58516 303A7 4A3      A6 5A2        C-13-H3C-13-H2C-13-N
  895153.1609  0.0102 -4.1111 3 1633.3223215  58516 303A7 5A3      A6 5A2        C-13-H3C-13-H2C-13-N
  895154.1923  0.0102 -4.1111 3 1633.3221215  58516 303A7 4A3      A6 4A2        C-13-H3C-13-H2C-13-N
  895158.8470  0.0102 -5.2560 3 1633.3221215  58516 303A7 5A3      A6 4A2        C-13-H3C-13-H2C-13-N
  895288.9870  0.0300 -3.7051 3  576.7936123 -58516 30361 953      60 852        C-13-H3C-13-H2C-13-N
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  895386.4490  0.0300 -3.5108 3  489.2820111 -58516 303551045      54 946        C-13-H3C-13-H2C-13-N
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  895429.7833  0.0427 -5.1721 3 2122.2941209  58516 303A42877      A32876        C-13-H3C-13-H2C-13-N
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  896008.5850  0.0500 -4.0705 3 1607.6463209 -58516 303A4 996      A3 995        C-13-H3C-13-H2C-13-N
  896172.6402  0.0045 -5.3790 3  159.0669 67  58516 30333 627      32 330        C-13-H3C-13-H2C-13-N
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  896225.5062  0.0665 -5.3532 3 2207.1909209  58516 303A43075      A33074        C-13-H3C-13-H2C-13-N
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  896658.9727  0.0827 -5.4482 3 2251.6810209  58516 303A43174      A33173        C-13-H3C-13-H2C-13-N
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  897114.3937  0.1024 -5.5460 3 2297.5173209  58516 303A43273      A33272        C-13-H3C-13-H2C-13-N
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  898519.4830  0.0500 -5.1994 3 1653.0686219 -58516 303A9 3A7      A8 2A6        C-13-H3C-13-H2C-13-N
  898754.2480  0.0500 -4.0967 3 1623.6086211 -58516 303A5 898      A4 897        C-13-H3C-13-H2C-13-N
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  899065.3520  0.0300 -3.3771 3  428.1743101 -58516 303501139      491040        C-13-H3C-13-H2C-13-N
  899090.5104  0.0095 -5.3906 3 1638.2688213  58516 303A6 6A0      A5 799        C-13-H3C-13-H2C-13-N
  899269.2660  0.0029 -5.2767 3  170.1486 65  58516 30332 824      31 625        C-13-H3C-13-H2C-13-N
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  899289.9714  0.3570 -5.5375 3  890.4254 85  58516 303423013      432914        C-13-H3C-13-H2C-13-N
  899322.2248  0.0029 -5.2767 3  170.1469 65  58516 30332 825      31 626        C-13-H3C-13-H2C-13-N
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  899640.9338  0.0098 -5.3355 3  321.7113 97  58516 30348 445      47 246        C-13-H3C-13-H2C-13-N
  899708.6900  0.0110 -4.6486 3  335.1001 99  58516 30349 346      48 247        C-13-H3C-13-H2C-13-N
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  900173.3270  0.0500 -4.1215 3 1638.2688213 -58516 303A6 7A0      A5 799        C-13-H3C-13-H2C-13-N
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  900225.9360  0.0300 -4.4718 3  362.5500 43 -58516 3032121 1      2120 2        C-13-H3C-13-H2C-13-N
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  900252.4710  0.0500 -5.1759 3 1661.2734221 -58516 303B0 2A9      A9 1A8        C-13-H3C-13-H2C-13-N
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  900302.9090  0.0300 -4.1934 3  368.9190 45 -58516 3032221 2      2220 3        C-13-H3C-13-H2C-13-N
  900373.2820  0.0500 -4.1212 3 1638.2260213 -58516 303A6 6A0      A5 699        C-13-H3C-13-H2C-13-N
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  900383.0980  0.0300 -4.0399 3  375.5771 47 -58516 3032321 3      2320 4        C-13-H3C-13-H2C-13-N
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  900466.4760  0.0300 -3.9376 3  382.5245 49 -58516 3032421 4      2420 5        C-13-H3C-13-H2C-13-N
  900474.1879  0.0125 -4.1261 3 1635.7547209  58516 303A41193      A31192        C-13-H3C-13-H2C-13-N
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  900552.8970  0.0300 -3.8634 3  389.7610 51 -58516 3032521 5      2520 6        C-13-H3C-13-H2C-13-N
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  900642.3750  0.0300 -3.8070 3  397.2865 53 -58516 3032621 6      2620 7        C-13-H3C-13-H2C-13-N
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  900734.8240  0.0300 -3.7631 3  405.1011 55 -58516 3032721 7      2720 8        C-13-H3C-13-H2C-13-N
  900830.3190  0.0300 -3.7283 3  413.2047 57 -58516 3032821 7      2820 8        C-13-H3C-13-H2C-13-N
  900830.3190  0.0300 -3.7283 3  413.2047 57 -58516 3032821 8      2820 9        C-13-H3C-13-H2C-13-N
  900928.6840  0.0300 -3.7006 3  421.5972 59 -58516 3032921 8      2920 9        C-13-H3C-13-H2C-13-N
  900928.6840  0.0300 -3.7006 3  421.5972 59 -58516 3032921 9      292010        C-13-H3C-13-H2C-13-N
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  901029.9130  0.0300 -3.6786 3  430.2787 61 -58516 303302110      302011        C-13-H3C-13-H2C-13-N
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  901116.3440  0.0300 -3.2686 3  375.8851 91 -58516 303451233      441134        C-13-H3C-13-H2C-13-N
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  901133.9540  0.0300 -3.6612 3  439.2490 63 -58516 303312111      312012        C-13-H3C-13-H2C-13-N
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  901240.7240  0.0300 -3.6477 3  448.5080 65 -58516 303322112      322013        C-13-H3C-13-H2C-13-N
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  901350.2310  0.0300 -3.6376 3  458.0559 67 -58516 303332113      332014        C-13-H3C-13-H2C-13-N
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  901462.3690  0.0300 -3.6305 3  467.8924 69 -58516 303342114      342015        C-13-H3C-13-H2C-13-N
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  901557.1400  0.0500 -4.1432 3 1651.4165215 -58516 303A7 5A2      A6 5A1        C-13-H3C-13-H2C-13-N
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  901577.0840  0.0300 -3.6259 3  478.0175 71 -58516 303352115      352016        C-13-H3C-13-H2C-13-N
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  901694.3150  0.0300 -3.6236 3  488.4312 73 -58516 303362115      362016        C-13-H3C-13-H2C-13-N
  901694.3150  0.0300 -3.6236 3  488.4312 73 -58516 303362116      362017        C-13-H3C-13-H2C-13-N
  901699.3940  0.0500 -4.0193 3 1583.9197207 -58516 303A3 994      A2 993        C-13-H3C-13-H2C-13-N
  901813.9920  0.0300 -3.6235 3  499.1334 75 -58516 303372116      372017        C-13-H3C-13-H2C-13-N
  901813.9920  0.0300 -3.6235 3  499.1334 75 -58516 303372117      372018        C-13-H3C-13-H2C-13-N
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  901924.9290  0.0500 -4.5552 3 1839.7526211 -58516 303A51987      A41986        C-13-H3C-13-H2C-13-N
  901936.1000  0.0300 -3.6253 3  510.1241 77 -58516 303382117      382018        C-13-H3C-13-H2C-13-N
  901936.1000  0.0300 -3.6253 3  510.1241 77 -58516 303382118      382019        C-13-H3C-13-H2C-13-N
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  901941.5983  0.0123 -4.6169 3 1868.6599211  58516 303A52086      A42085        C-13-H3C-13-H2C-13-N
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  901981.8730  0.0500 -5.1542 3 1668.4407223 -58516 303B1 1B1      B0 0B0        C-13-H3C-13-H2C-13-N
  901981.8730  0.0500 -4.1600 3 1668.4407223 -58516 303B1 1B1      B0 1B0        C-13-H3C-13-H2C-13-N
  901985.1790  0.0500 -4.4965 3 1812.3475211 -58516 303A51888      A41887        C-13-H3C-13-H2C-13-N
  901985.1790  0.0500 -4.4965 3 1812.3475211 -58516 303A51887      A41886        C-13-H3C-13-H2C-13-N
  901997.6537  0.0054 -5.1190 3  357.7391101  58516 30350 546      49 347        C-13-H3C-13-H2C-13-N
  902022.9609  0.0137 -4.6819 3 1899.0516211  58516 303A52184      A42183        C-13-H3C-13-H2C-13-N
  902022.9609  0.0137 -4.6819 3 1899.0516211  58516 303A52185      A42184        C-13-H3C-13-H2C-13-N
  902060.5000  0.0300 -3.6288 3  521.4032 79 -58516 303392118      392019        C-13-H3C-13-H2C-13-N
  902060.5000  0.0300 -3.6288 3  521.4032 79 -58516 303392119      392020        C-13-H3C-13-H2C-13-N
  902139.1740  0.0500 -4.4410 3 1786.4657211 -58516 303A51789      A41788        C-13-H3C-13-H2C-13-N
  902139.1740  0.0500 -4.4410 3 1786.4657211 -58516 303A51788      A41787        C-13-H3C-13-H2C-13-N
  902159.6564  0.0155 -4.7499 3 1930.9117211  58516 303A52283      A42282        C-13-H3C-13-H2C-13-N
  902159.6564  0.0155 -4.7499 3 1930.9117211  58516 303A52284      A42283        C-13-H3C-13-H2C-13-N
  902187.1880  0.0300 -3.6340 3  532.9705 81 -58516 303402119      402020        C-13-H3C-13-H2C-13-N
  902187.1880  0.0300 -3.6340 3  532.9705 81 -58516 303402120      402021        C-13-H3C-13-H2C-13-N
  902275.0780  0.0300 -3.1815 3  332.3270 81 -58516 303401327      391228        C-13-H3C-13-H2C-13-N
  902275.0780  0.0300 -3.1815 3  332.3270 81 -58516 303401328      391227        C-13-H3C-13-H2C-13-N
  902291.9766  0.0217 -5.0292 3  286.7056 93  58516 30346 244      45 145        C-13-H3C-13-H2C-13-N
  902316.0280  0.0300 -3.6407 3  544.8261 83 -58516 303412120      412021        C-13-H3C-13-H2C-13-N
  902316.0280  0.0300 -3.6407 3  544.8261 83 -58516 303412121      412022        C-13-H3C-13-H2C-13-N
  902344.5147  0.0180 -4.8209 3 1964.2260211  58516 303A52382      A42381        C-13-H3C-13-H2C-13-N
  902344.5147  0.0180 -4.8209 3 1964.2260211  58516 303A52383      A42382        C-13-H3C-13-H2C-13-N
  902410.6250  0.0500 -4.3888 3 1762.1329211 -58516 303A51690      A41689        C-13-H3C-13-H2C-13-N
  902410.6250  0.0500 -4.3888 3 1762.1329211 -58516 303A51689      A41688        C-13-H3C-13-H2C-13-N
  902447.0740  0.0300 -3.6488 3  556.9699 85 -58516 303422121      422022        C-13-H3C-13-H2C-13-N
  902447.0740  0.0300 -3.6488 3  556.9699 85 -58516 303422122      422023        C-13-H3C-13-H2C-13-N
  902461.1226  0.0039 -5.0103 3  360.6595 99  58516 30349 742      48 543        C-13-H3C-13-H2C-13-N
  902571.9079  0.0213 -4.8951 3 1998.9810211  58516 303A52481      A42480        C-13-H3C-13-H2C-13-N
  902571.9079  0.0213 -4.8951 3 1998.9810211  58516 303A52482      A42481        C-13-H3C-13-H2C-13-N
  902580.1310  0.0300 -3.6584 3  569.4018 87 -58516 303432122      432023        C-13-H3C-13-H2C-13-N
  902580.1310  0.0300 -3.6584 3  569.4018 87 -58516 303432123      432024        C-13-H3C-13-H2C-13-N
  902715.1820  0.0300 -3.6692 3  582.1217 89 -58516 303442123      442024        C-13-H3C-13-H2C-13-N
  902715.1820  0.0300 -3.6692 3  582.1217 89 -58516 303442124      442025        C-13-H3C-13-H2C-13-N
  902728.5740  0.0300 -2.9986 3  244.7898 41 -58516 3032017 3      1916 4        C-13-H3C-13-H2C-13-N
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  903709.8910  0.0300 -3.7767 3  679.2197103 -58516 303512131      512032        C-13-H3C-13-H2C-13-N
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  903858.1370  0.0300 -3.7962 3  694.2411105 -58516 303522132      522033        C-13-H3C-13-H2C-13-N
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  904007.6180  0.0300 -3.8166 3  709.5498107 -58516 303532133      532034        C-13-H3C-13-H2C-13-N
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  904158.3190  0.0300 -3.8379 3  725.1457109 -58516 303542134      542035        C-13-H3C-13-H2C-13-N
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  904215.7971  0.0589 -5.3108 3 2193.9393211  58516 303A52977      A42976        C-13-H3C-13-H2C-13-N
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  904310.1340  0.0300 -3.8601 3  741.0287111 -58516 303552135      552036        C-13-H3C-13-H2C-13-N
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  904463.0010  0.0300 -3.8832 3  757.1987113 -58516 303562136      562037        C-13-H3C-13-H2C-13-N
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  904616.8150  0.0300 -3.9072 3  773.6557115 -58516 303572137      572038        C-13-H3C-13-H2C-13-N
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  904627.9934  0.0728 -5.4028 3 2237.0857211  58516 303A53076      A43075        C-13-H3C-13-H2C-13-N
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  904744.7770  0.0500 -4.1777 3 1673.6892219 -58516 303A9 3A6      A8 3A5        C-13-H3C-13-H2C-13-N
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  904771.4690  0.0300 -3.9320 3  790.3995117 -58516 303582138      582039        C-13-H3C-13-H2C-13-N
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  904926.8750  0.0300 -3.9577 3  807.4301119 -58516 303592139      592040        C-13-H3C-13-H2C-13-N
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  905063.7694  0.0899 -5.4977 3 2281.5904211  58516 303A53175      A43174        C-13-H3C-13-H2C-13-N
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  905083.0070  0.0300 -3.9842 3  824.7473121 -58516 303602140      602041        C-13-H3C-13-H2C-13-N
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  905396.9090  0.0300 -4.0395 3  860.2411125 -58516 303622142      622043        C-13-H3C-13-H2C-13-N
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  905554.5490  0.0300 -4.0684 3  878.4176127 -58516 303632143      632044        C-13-H3C-13-H2C-13-N
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  905712.4220  0.0300 -4.0981 3  896.8803129 -58516 303642144      642045        C-13-H3C-13-H2C-13-N
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  905870.5050  0.0300 -4.1285 3  915.6291131 -58516 303652145      652046        C-13-H3C-13-H2C-13-N
  905992.9668  0.0107 -4.2124 3 1681.2243211  58516 303A51293      A41292        C-13-H3C-13-H2C-13-N
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  906028.7798  0.0046 -4.1597 3  934.6639133  58516 303662146      662047        C-13-H3C-13-H2C-13-N
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  906186.9960  0.0300 -4.1917 3  953.9847135 -58516 303672147      672048        C-13-H3C-13-H2C-13-N
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  906345.2538  0.0048 -4.2244 3  973.5911137  58516 303682148      682049        C-13-H3C-13-H2C-13-N
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  906460.8630  0.0500 -4.1912 3 1683.0399221 -58516 303B0 2A8      A9 2A7        C-13-H3C-13-H2C-13-N
  906460.8630  0.0500 -5.2497 3 1683.0399221 -58516 303B0 3A8      A9 2A7        C-13-H3C-13-H2C-13-N
  906488.5423  0.0063 -4.9447 3  564.7239125  58516 30362 656      61 457        C-13-H3C-13-H2C-13-N
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  906503.3110  0.0300 -4.2578 3  993.4833139 -58516 303692149      692050        C-13-H3C-13-H2C-13-N
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  906661.0497  0.0051 -4.2920 3 1013.6610141  58516 303702150      702051        C-13-H3C-13-H2C-13-N
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  906818.4467  0.0053 -4.3269 3 1034.1241143  58516 303712151      712052        C-13-H3C-13-H2C-13-N
  906821.5220  0.0100 -4.1776 3 1665.3131211  58516 303A51195      A41194        C-13-H3C-13-H2C-13-N
  906844.1317  0.0107 -4.1471 3 1651.0470211  58516 303A51096      A41095        C-13-H3C-13-H2C-13-N
  906954.9144  0.0041 -5.0017 3  389.7943103  58516 30351 744      50 545        C-13-H3C-13-H2C-13-N
  906975.3767  0.0054 -4.3626 3 1054.8725145  58516 303722151      722052        C-13-H3C-13-H2C-13-N
  906975.3767  0.0054 -4.3626 3 1054.8725145  58516 303722152      722053        C-13-H3C-13-H2C-13-N
  907131.2817  0.0046 -5.3377 3  168.5442 69  58516 30334 628      33 331        C-13-H3C-13-H2C-13-N
  907131.7390  0.0057 -4.3989 3 1075.9061147  58516 303732152      732053        C-13-H3C-13-H2C-13-N
  907131.7390  0.0057 -4.3989 3 1075.9061147  58516 303732153      732054        C-13-H3C-13-H2C-13-N
  907168.9957  0.0112 -5.4372 3 1668.2953215  58516 303A7 6A1      A6 7A0        C-13-H3C-13-H2C-13-N
  907287.4321  0.0059 -4.4360 3 1097.2248149  58516 303742153      742054        C-13-H3C-13-H2C-13-N
  907287.4321  0.0059 -4.4360 3 1097.2248149  58516 303742154      742055        C-13-H3C-13-H2C-13-N
  907442.3539  0.0062 -4.4738 3 1118.8284151  58516 303752154      752055        C-13-H3C-13-H2C-13-N
  907442.3539  0.0062 -4.4738 3 1118.8284151  58516 303752155      752056        C-13-H3C-13-H2C-13-N
  907492.6077  0.0029 -5.2522 3  179.4087 67  58516 30333 825      32 626        C-13-H3C-13-H2C-13-N
  907536.8280  0.0300 -3.3950 3  442.6145103 -58516 303511141      501040        C-13-H3C-13-H2C-13-N
  907536.8280  0.0300 -3.3950 3  442.6145103 -58516 303511140      501041        C-13-H3C-13-H2C-13-N
  907569.3163  0.0029 -5.2522 3  179.4061 67  58516 30333 826      32 627        C-13-H3C-13-H2C-13-N
  907596.4017  0.0064 -4.5123 3 1140.7169153  58516 303762155      762056        C-13-H3C-13-H2C-13-N
  907596.4017  0.0064 -4.5123 3 1140.7169153  58516 303762156      762057        C-13-H3C-13-H2C-13-N
  907749.4719  0.0067 -4.5514 3 1162.8900155  58516 303772156      772057        C-13-H3C-13-H2C-13-N
  907749.4719  0.0067 -4.5514 3 1162.8900155  58516 303772157      772058        C-13-H3C-13-H2C-13-N
  907901.4604  0.0071 -4.5913 3 1185.3476157  58516 303782157      782058        C-13-H3C-13-H2C-13-N
  907901.4604  0.0071 -4.5913 3 1185.3476157  58516 303782158      782059        C-13-H3C-13-H2C-13-N
  908052.2625  0.0074 -4.6319 3 1208.0897159  58516 303792158      792059        C-13-H3C-13-H2C-13-N
  908052.2625  0.0074 -4.6319 3 1208.0897159  58516 303792159      792060        C-13-H3C-13-H2C-13-N
  908082.3224  0.0112 -4.1726 3 1668.2953215  58516 303A7 7A1      A6 7A0        C-13-H3C-13-H2C-13-N
  908183.3536  0.0107 -4.1454 3 1653.2257213  58516 303A6 799      A5 798        C-13-H3C-13-H2C-13-N
  908196.1910  0.0500 -4.2024 3 1691.3026223 -58516 303B1 1B0      B0 1A9        C-13-H3C-13-H2C-13-N
  908196.1910  0.0500 -5.2268 3 1691.3026223 -58516 303B1 1B0      B0 2A9        C-13-H3C-13-H2C-13-N
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  908196.1910  0.0500 -5.2268 3 1691.3026223 -58516 303B1 2B0      B0 1A9        C-13-H3C-13-H2C-13-N
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  910215.9794  0.0164 -5.3728 3 1610.5303191  58516 303952175      952076        C-13-H3C-13-H2C-13-N
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  910330.0254  0.0171 -5.4247 3 1638.0858193  58516 303962176      962077        C-13-H3C-13-H2C-13-N
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  910548.4991  0.0186 -5.5305 3 1694.0419197  58516 303982178      982079        C-13-H3C-13-H2C-13-N
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  910849.2559  0.0113 -4.4394 3 1792.2341213  58516 303A61690      A51689        C-13-H3C-13-H2C-13-N
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  910925.4870  0.0300 -3.1927 3  343.8755 83 -58516 303411329      401228        C-13-H3C-13-H2C-13-N
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  910963.5770  0.0247 -4.9455 3 2029.0876213  58516 303A62483      A52482        C-13-H3C-13-H2C-13-N
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  911228.5259  0.0294 -5.0226 3 2065.2796213  58516 303A62582      A52581        C-13-H3C-13-H2C-13-N
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  911447.3420  0.0300 -3.0006 3  250.5722 43 -58516 3032117 5      2016 4        C-13-H3C-13-H2C-13-N
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  911528.4984  0.0355 -5.1027 3 2102.8888213  58516 303A62681      A52680        C-13-H3C-13-H2C-13-N
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  911570.4650  0.0300 -3.1218 3  307.5628 73 -58516 303361423      351322        C-13-H3C-13-H2C-13-N
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  911759.6160  0.0300 -3.0289 3  260.9195 53 -58516 303261611      251510        C-13-H3C-13-H2C-13-N
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  911817.4160  0.0300 -3.0680 3  279.9147 63 -58516 303311517      301416        C-13-H3C-13-H2C-13-N
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  912221.7939  0.0529 -5.2720 3 2182.3109213  58516 303A62879      A52878        C-13-H3C-13-H2C-13-N
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  912610.4422  0.0649 -5.3611 3 2224.1007213  58516 303A62978      A52977        C-13-H3C-13-H2C-13-N
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  913024.5664  0.0797 -5.4530 3 2267.2609213  58516 303A63077      A53076        C-13-H3C-13-H2C-13-N
  913155.3504  0.0042 -4.4697 3  350.9381 99  58516 30349 644      48 345        C-13-H3C-13-H2C-13-N
  913730.5405  0.0045 -4.9835 3  451.6762111  58516 30355 748      54 549        C-13-H3C-13-H2C-13-N
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  914398.3341  0.0156 -4.2429 3 1713.2762223  58516 303B1 2A9      B0 2A8        C-13-H3C-13-H2C-13-N
  914398.3367  0.0156 -5.3007 3 1713.2762223  58516 303B1 3A9      B0 2A8        C-13-H3C-13-H2C-13-N
  914611.1405  0.0133 -4.2632 3 1711.4450213  58516 303A61294      A51293        C-13-H3C-13-H2C-13-N
  914628.9009  0.0123 -4.1992 3 1683.8320215  58516 303A7 8A0      A6 899        C-13-H3C-13-H2C-13-N
  914662.6237  0.0072 -5.4683 3  541.1642119  58516 30359 950      59 653        C-13-H3C-13-H2C-13-N
  915182.2823  0.0128 -4.1983 3 1681.2961213  58516 303A61097      A51096        C-13-H3C-13-H2C-13-N
  915217.1026  0.0131 -5.4847 3 1698.5857217  58516 303A8 6A2      A7 7A1        C-13-H3C-13-H2C-13-N
  915331.2158  0.0123 -4.2286 3 1695.5614213  58516 303A61196      A51195        C-13-H3C-13-H2C-13-N
  915414.7407  0.0046 -4.9788 3  467.8881113  58516 30356 749      55 550        C-13-H3C-13-H2C-13-N
  915662.8521  0.0029 -5.2295 3  188.9600 69  58516 30334 826      33 627        C-13-H3C-13-H2C-13-N
  915750.9467  0.0208 -4.1435 3 1653.4494211  58516 303A51095      A41094        C-13-H3C-13-H2C-13-N
  915772.5837  0.0029 -5.2294 3  188.9563 69  58516 30334 827      33 628        C-13-H3C-13-H2C-13-N
  915806.9614  0.0070 -5.3480 3  202.7522 77  58516 30338 533      37 236        C-13-H3C-13-H2C-13-N
  915924.4336  0.0125 -4.1973 3 1683.5194215  58516 303A7 7A0      A6 799        C-13-H3C-13-H2C-13-N
  915986.9036  0.0131 -4.2244 3 1698.5857217  58516 303A8 7A2      A7 7A1        C-13-H3C-13-H2C-13-N
  915992.8552  0.0019 -3.4138 3  457.3435105  58516 303521142      511041        C-13-H3C-13-H2C-13-N
  915993.1216  0.0019 -3.4138 3  457.3435105  58516 303521141      511042        C-13-H3C-13-H2C-13-N
  916130.4293  0.0131 -4.2242 3 1698.5552217  58516 303A8 6A2      A7 6A1        C-13-H3C-13-H2C-13-N
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  916135.9160  0.0168 -4.2543 3 1721.5967225  58516 303B2 2B1      B1 2B0        C-13-H3C-13-H2C-13-N
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  918943.9831  0.0216 -4.8514 3 1991.3774215  58516 303A72286      A62285        C-13-H3C-13-H2C-13-N
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  918985.2301  0.0142 -4.5429 3 1846.9310215  58516 303A71790      A61789        C-13-H3C-13-H2C-13-N
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  919124.6923  0.0247 -4.9225 3 2024.7039215  58516 303A72385      A62384        C-13-H3C-13-H2C-13-N
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  919283.5144  0.0136 -4.4907 3 1822.6167215  58516 303A71691      A61690        C-13-H3C-13-H2C-13-N
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  919349.6115  0.0286 -4.9966 3 2059.4741215  58516 303A72484      A62483        C-13-H3C-13-H2C-13-N
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  919570.9220  0.0300 -3.2047 3  355.7124 85 -58516 303421329      411230        C-13-H3C-13-H2C-13-N
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  919914.0398  0.0402 -5.1538 3 2133.2941215  58516 303A72682      A62681        C-13-H3C-13-H2C-13-N
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  920167.4680  0.0300 -3.0030 3  256.6434 45 -58516 3032217 6      2116 5        C-13-H3C-13-H2C-13-N
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  920246.5801  0.0485 -5.2369 3 2172.3195215  58516 303A72781      A62780        C-13-H3C-13-H2C-13-N
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  920254.8760  0.0300 -3.1306 3  317.9583 75 -58516 303371424      361323        C-13-H3C-13-H2C-13-N
  920287.6483  0.0143 -4.2241 3 1698.1206215  58516 303A7 999      A6 998        C-13-H3C-13-H2C-13-N
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  920422.8818  0.0026 -3.7887 3  630.6189129  58516 30364 955      63 856        C-13-H3C-13-H2C-13-N
  920426.5884  0.0134 -4.3960 3 1778.8142215  58516 303A71493      A61492        C-13-H3C-13-H2C-13-N
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  920476.3030  0.0300 -3.0327 3  268.4329 55 -58516 303271612      261511        C-13-H3C-13-H2C-13-N
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  920523.3630  0.0300 -3.0741 3  288.8693 65 -58516 303321518      311417        C-13-H3C-13-H2C-13-N
  920608.6987  0.0169 -5.3767 3 1734.3119223  58516 303B1 3A8      B0 4A7        C-13-H3C-13-H2C-13-N
  920608.7879  0.0169 -4.2815 3 1734.3119223  58516 303B1 4A8      B0 4A7        C-13-H3C-13-H2C-13-N
  920608.8089  0.0169 -4.2815 3 1734.3119223  58516 303B1 3A8      B0 3A7        C-13-H3C-13-H2C-13-N
  920608.8981  0.0169 -5.3767 3 1734.3119223  58516 303B1 4A8      B0 3A7        C-13-H3C-13-H2C-13-N
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  920609.0202  0.0588 -5.3230 3 2212.7394215  58516 303A72880      A62879        C-13-H3C-13-H2C-13-N
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  920999.1728  0.0715 -5.4121 3 2254.5421215  58516 303A72979      A62978        C-13-H3C-13-H2C-13-N
  921319.3358  0.0086 -4.4863 3  415.9554109  58516 30354 450      53 351        C-13-H3C-13-H2C-13-N
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  921415.1808  0.0872 -5.5040 3 2297.7161215  58516 303A73078      A63077        C-13-H3C-13-H2C-13-N
  921459.9472  0.0141 -4.3537 3 1759.4502215  58516 303A71394      A61393        C-13-H3C-13-H2C-13-N
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  921950.8148  0.0048 -4.9668 3  518.2660119  58516 30359 752      58 553        C-13-H3C-13-H2C-13-N
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  922331.8460  0.0183 -4.2953 3 1743.7773225  58516 303B2 2B0      B1 2A9        C-13-H3C-13-H2C-13-N
  922331.8481  0.0183 -5.3524 3 1743.7773225  58516 303B2 3B0      B1 2A9        C-13-H3C-13-H2C-13-N
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  923677.2105  0.0145 -4.2499 3 1714.0714217  58516 303A8 7A1      A7 7A0        C-13-H3C-13-H2C-13-N
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  924071.7079  0.0201 -5.3305 3 1752.1557227  58516 303B3 2B2      B2 1B1        C-13-H3C-13-H2C-13-N
  924071.7079  0.0201 -4.3068 3 1752.1557227  58516 303B3 2B2      B2 2B1        C-13-H3C-13-H2C-13-N
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  924433.3474  0.0020 -3.4334 3  472.3614107  58516 303531142      521043        C-13-H3C-13-H2C-13-N
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  925286.2558  0.0172 -4.2989 3 1742.4284221  58516 303B0 6A5      A9 6A4        C-13-H3C-13-H2C-13-N
  925295.1593  0.0172 -4.2989 3 1742.4266221  58516 303B0 5A5      A9 5A4        C-13-H3C-13-H2C-13-N
  925338.3435  0.0172 -5.4889 3 1742.4266221  58516 303B0 6A5      A9 5A4        C-13-H3C-13-H2C-13-N
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  925806.0526  0.0290 -5.3100 3 1759.4963229  58516 303B4 1B4      B3 0B3        C-13-H3C-13-H2C-13-N
  925806.0526  0.0290 -4.3162 3 1759.4963229  58516 303B4 1B4      B3 1B3        C-13-H3C-13-H2C-13-N
  926129.7238  0.0162 -4.2147 3 1696.3114215  58516 303A7 899      A6 898        C-13-H3C-13-H2C-13-N
  926237.1944  0.0084 -4.3830 3  504.7350119  58516 30359 554      58 455        C-13-H3C-13-H2C-13-N
  926715.2976  0.0196 -4.1735 3 1674.9921213  58516 303A6 997      A5 996        C-13-H3C-13-H2C-13-N
  926847.5600  0.0300 -3.3142 3  415.7264 97 -58516 303481237      471136        C-13-H3C-13-H2C-13-N
  926847.5600  0.0300 -3.3142 3  415.7264 97 -58516 303481236      471137        C-13-H3C-13-H2C-13-N
  926856.0706  0.0186 -5.4557 3 1754.3457223  58516 303B1 4A7      B0 5A6        C-13-H3C-13-H2C-13-N
  926858.1590  0.0186 -4.3180 3 1754.3457223  58516 303B1 5A7      B0 5A6        C-13-H3C-13-H2C-13-N
  926858.6226  0.0186 -4.3180 3 1754.3456223  58516 303B1 4A7      B0 4A6        C-13-H3C-13-H2C-13-N
  926860.7109  0.0186 -5.4557 3 1754.3456223  58516 303B1 5A7      B0 4A6        C-13-H3C-13-H2C-13-N
  927092.8038  0.0229 -5.0436 3  299.3349 95  58516 30347 345      46 046        C-13-H3C-13-H2C-13-N
  927096.0516  0.0231 -4.2786 3 1726.7509215  58516 303A71196      A61195        C-13-H3C-13-H2C-13-N
  927132.2117  0.0207 -4.7705 3 1959.7572217  58516 303A82088      A72087        C-13-H3C-13-H2C-13-N
  927132.2117  0.0207 -4.7705 3 1959.7572217  58516 303A82089      A72088        C-13-H3C-13-H2C-13-N
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  927133.0059  0.0192 -4.7088 3 1930.8487217  58516 303A81990      A71989        C-13-H3C-13-H2C-13-N
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  927200.5625  0.0228 -4.8353 3 1990.1565217  58516 303A82188      A72187        C-13-H3C-13-H2C-13-N
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  932003.5108  0.0240 -5.3833 3 1782.9794229  58516 303B4 2B3      B3 1B2        C-13-H3C-13-H2C-13-N
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  932856.8508  0.0020 -3.4537 3  487.6683109  58516 303541143      531044        C-13-H3C-13-H2C-13-N
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  933739.5133  0.0339 -5.3633 3 1790.3779231  58516 303B5 0B5      B4 1B4        C-13-H3C-13-H2C-13-N
  933739.5133  0.0339 -5.3633 3 1790.3779231  58516 303B5 1B5      B4 0B4        C-13-H3C-13-H2C-13-N
  933739.5133  0.0339 -4.3696 3 1790.3779231  58516 303B5 1B5      B4 1B4        C-13-H3C-13-H2C-13-N
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  935405.5590  0.0300 -3.3310 3  429.5838 99 -58516 303491237      481138        C-13-H3C-13-H2C-13-N
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  935518.4607  0.0244 -4.8231 3 1990.6830219  58516 303A92090      A82089        C-13-H3C-13-H2C-13-N
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  935582.2348  0.0267 -4.8879 3 2021.0846219  58516 303A92189      A82188        C-13-H3C-13-H2C-13-N
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  935616.9703  0.0213 -4.7028 3 1934.3790219  58516 303A91891      A81890        C-13-H3C-13-H2C-13-N
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  935706.2428  0.0296 -4.9558 3 2052.9624219  58516 303A92288      A82287        C-13-H3C-13-H2C-13-N
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  935812.3619  0.0203 -4.6475 3 1908.5198219  58516 303A91792      A81791        C-13-H3C-13-H2C-13-N
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  935882.4572  0.0333 -5.0268 3 2086.3009219  58516 303A92387      A82386        C-13-H3C-13-H2C-13-N
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  936104.6004  0.0380 -5.1009 3 2121.0860219  58516 303A92486      A82485        C-13-H3C-13-H2C-13-N
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  936138.7828  0.0196 -4.5954 3 1884.2259219  58516 303A91693      A81692        C-13-H3C-13-H2C-13-N
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  936367.6788  0.0439 -5.1780 3 2157.3045219  58516 303A92585      A82584        C-13-H3C-13-H2C-13-N
  936411.8860  0.0300 -3.6283 3  571.6716121 -58516 303601050      59 951        C-13-H3C-13-H2C-13-N
  936456.9897  0.0232 -5.4808 3 1795.9927227  58516 303B3 3B0      B2 4A9        C-13-H3C-13-H2C-13-N
  936457.0481  0.0232 -4.3879 3 1795.9927227  58516 303B3 4B0      B2 4A9        C-13-H3C-13-H2C-13-N
  936457.0619  0.0232 -4.3879 3 1795.9927227  58516 303B3 3B0      B2 3A9        C-13-H3C-13-H2C-13-N
  936457.1203  0.0232 -5.4808 3 1795.9927227  58516 303B3 4B0      B2 3A9        C-13-H3C-13-H2C-13-N
  936623.8504  0.0071 -5.3617 3  213.4250 79  58516 30339 534      38 237        C-13-H3C-13-H2C-13-N
  936636.1485  0.0194 -4.5465 3 1861.5352219  58516 303A91595      A81594        C-13-H3C-13-H2C-13-N
  936637.0558  0.0194 -4.5465 3 1861.5354219  58516 303A91594      A81593        C-13-H3C-13-H2C-13-N
  936667.6605  0.0514 -5.2581 3 2194.9437219  58516 303A92683      A82682        C-13-H3C-13-H2C-13-N
  936667.6605  0.0514 -5.2581 3 2194.9437219  58516 303A92684      A82683        C-13-H3C-13-H2C-13-N
  936845.3760  0.0300 -3.2308 3  380.2512 89 -58516 303441331      431232        C-13-H3C-13-H2C-13-N
  936845.3760  0.0300 -3.2308 3  380.2512 89 -58516 303441332      431231        C-13-H3C-13-H2C-13-N
  937001.2446  0.0608 -5.3412 3 2233.9913219  58516 303A92782      A82781        C-13-H3C-13-H2C-13-N
  937001.2446  0.0608 -5.3412 3 2233.9913219  58516 303A92783      A82782        C-13-H3C-13-H2C-13-N
  937069.3960  0.0300 -2.9837 3  263.6223 39 -58516 3031918 1      1817 2        C-13-H3C-13-H2C-13-N
  937069.3960  0.0300 -2.9837 3  263.6223 39 -58516 3031918 2      1817 1        C-13-H3C-13-H2C-13-N
  937071.6360  0.0064 -5.4784 3  490.1118113  58516 30356 947      56 650        C-13-H3C-13-H2C-13-N
  937364.8134  0.0197 -4.5009 3 1840.4998219  58516 303A91496      A81495        C-13-H3C-13-H2C-13-N
  937365.6948  0.0725 -5.4272 3 2274.4354219  58516 303A92881      A82880        C-13-H3C-13-H2C-13-N
  937365.6948  0.0725 -5.4272 3 2274.4354219  58516 303A92882      A82881        C-13-H3C-13-H2C-13-N
  937375.5403  0.0197 -4.5009 3 1840.5012219  58516 303A91495      A81494        C-13-H3C-13-H2C-13-N
  937423.5535  0.0036 -5.0140 3  345.2684 97  58516 30348 742      47 543        C-13-H3C-13-H2C-13-N
  937611.2300  0.0300 -3.0088 3  269.6526 49 -58516 3032417 7      2316 8        C-13-H3C-13-H2C-13-N
  937611.2300  0.0300 -3.0088 3  269.6526 49 -58516 3032417 8      2316 7        C-13-H3C-13-H2C-13-N
  937615.1400  0.0300 -3.1506 3  339.6143 79 -58516 303391425      381326        C-13-H3C-13-H2C-13-N
  937615.1400  0.0300 -3.1506 3  339.6143 79 -58516 303391426      381325        C-13-H3C-13-H2C-13-N
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  944473.4669  0.0436 -5.1541 3 2152.3111221  58516 303B02487      A92486        C-13-H3C-13-H2C-13-N
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  944586.4668  0.0082 -3.6797 3  574.9242 83  58516 303412220      412121        C-13-H3C-13-H2C-13-N
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  945035.6524  0.0580 -5.3113 3 2226.1875221  58516 303B02685      A92684        C-13-H3C-13-H2C-13-N
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  945163.7468  0.0081 -3.7173 3  625.2455 91  58516 303452224      452125        C-13-H3C-13-H2C-13-N
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  945313.7966  0.0081 -3.7299 3  638.5459 93  58516 303462224      462125        C-13-H3C-13-H2C-13-N
  945313.7966  0.0081 -3.7299 3  638.5459 93  58516 303462225      462126        C-13-H3C-13-H2C-13-N
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  945369.6763  0.0680 -5.3943 3 2265.2463221  58516 303B02784      A92783        C-13-H3C-13-H2C-13-N
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  945473.7492  0.0021 -3.2450 3  392.9530 91  58516 303451333      441232        C-13-H3C-13-H2C-13-N
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  945776.6432  0.0082 -3.7747 3  680.1740 99  58516 303492228      492129        C-13-H3C-13-H2C-13-N
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  945793.2041  0.0036 -2.9864 3  269.1175 41  58516 3032018 3      1917 2        C-13-H3C-13-H2C-13-N
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  945934.9300  0.0082 -3.7918 3  694.6254101  58516 303502229      502130        C-13-H3C-13-H2C-13-N
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  946108.3682  0.0300 -4.4564 3 1836.8677231  58516 303B5 2B3      B4 2B2        C-13-H3C-13-H2C-13-N
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  946208.8056  0.0037 -5.0129 3  359.1701 99  58516 30349 743      48 544        C-13-H3C-13-H2C-13-N
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  946257.0900  0.0082 -3.8291 3  724.3906105  58516 303522231      522132        C-13-H3C-13-H2C-13-N
  946262.2891  0.0228 -4.4122 3 1807.4512223  58516 303B1 8A4      B0 8A3        C-13-H3C-13-H2C-13-N
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  946290.4996  0.0021 -3.1616 3  350.8749 81  58516 303401427      391326        C-13-H3C-13-H2C-13-N
  946334.6622  0.0030 -3.0124 3  276.5904 51  58516 3032517 8      2416 9        C-13-H3C-13-H2C-13-N
  946334.6622  0.0030 -3.0124 3  276.5904 51  58516 3032517 9      2416 8        C-13-H3C-13-H2C-13-N
  946387.1608  0.0091 -4.5116 3  431.1869111  58516 30355 451      54 352        C-13-H3C-13-H2C-13-N
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  946420.8194  0.0082 -3.8492 3  739.7042107  58516 303532232      532133        C-13-H3C-13-H2C-13-N
  946586.2176  0.0082 -3.8702 3  755.3052109  58516 303542232      542133        C-13-H3C-13-H2C-13-N
  946586.2176  0.0082 -3.8702 3  755.3052109  58516 303542233      542134        C-13-H3C-13-H2C-13-N
  946627.6557  0.0024 -3.0476 3  292.7051 61  58516 303301614      291515        C-13-H3C-13-H2C-13-N
  946627.6557  0.0024 -3.0476 3  292.7051 61  58516 303301615      291514        C-13-H3C-13-H2C-13-N
  946634.8519  0.0022 -3.0965 3  317.4642 71  58516 303351520      341421        C-13-H3C-13-H2C-13-N
  946634.8519  0.0022 -3.0965 3  317.4642 71  58516 303351521      341420        C-13-H3C-13-H2C-13-N
  946753.2104  0.0083 -3.8922 3  771.1932111  58516 303552233      552134        C-13-H3C-13-H2C-13-N
  946753.2104  0.0083 -3.8922 3  771.1932111  58516 303552234      552135        C-13-H3C-13-H2C-13-N
  946901.3603  0.0246 -4.5124 3 1852.4938221  58516 303B01398      A91397        C-13-H3C-13-H2C-13-N
  946921.7226  0.0083 -3.9150 3  787.3684113  58516 303562234      562135        C-13-H3C-13-H2C-13-N
  946921.7226  0.0083 -3.9150 3  787.3684113  58516 303562235      562136        C-13-H3C-13-H2C-13-N
  946993.9508  0.0229 -4.4112 3 1807.2802223  58516 303B1 7A4      B0 7A3        C-13-H3C-13-H2C-13-N
  947019.3126  0.0030 -5.4658 3  137.8645 55  58516 30327 918      26 719        C-13-H3C-13-H2C-13-N
  947019.4749  0.0030 -5.4658 3  137.8645 55  58516 30327 919      26 720        C-13-H3C-13-H2C-13-N
  947026.9115  0.0252 -4.5123 3 1852.5128221  58516 303B01397      A91396        C-13-H3C-13-H2C-13-N
  947091.6781  0.0083 -3.9388 3  803.8305115  58516 303572235      572136        C-13-H3C-13-H2C-13-N
  947091.6781  0.0083 -3.9388 3  803.8305115  58516 303572236      572137        C-13-H3C-13-H2C-13-N
  947160.7453  0.0090 -5.2228 3  431.1611111  58516 30355 451      54 252        C-13-H3C-13-H2C-13-N
  947263.0000  0.0084 -3.9634 3  820.5794117  58516 303582236      582137        C-13-H3C-13-H2C-13-N
  947263.0000  0.0084 -3.9634 3  820.5794117  58516 303582237      582138        C-13-H3C-13-H2C-13-N
  947435.6105  0.0084 -3.9888 3  837.6152119  58516 303592237      592138        C-13-H3C-13-H2C-13-N
  947435.6105  0.0084 -3.9888 3  837.6152119  58516 303592238      592139        C-13-H3C-13-H2C-13-N
  947563.8260  0.0244 -4.4380 3 1822.3824225  58516 303B2 7A6      B1 7A5        C-13-H3C-13-H2C-13-N
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  947609.4308  0.0085 -4.0151 3  854.9376121  58516 303602239      602140        C-13-H3C-13-H2C-13-N
  947636.9247  0.0244 -4.4379 3 1822.3671225  58516 303B2 6A6      B1 6A5        C-13-H3C-13-H2C-13-N
  947696.0900  0.0029 -5.1552 3  230.0832 77  58516 30338 830      37 631        C-13-H3C-13-H2C-13-N
  947784.3816  0.0085 -4.0422 3  872.5465123  58516 303612239      612140        C-13-H3C-13-H2C-13-N
  947784.3816  0.0085 -4.0422 3  872.5465123  58516 303612240      612141        C-13-H3C-13-H2C-13-N
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  947855.0333  0.0342 -4.4684 3 1845.4205233  58516 303B6 2B5      B5 2B4        C-13-H3C-13-H2C-13-N
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  947960.3826  0.0086 -4.0702 3  890.4419125  58516 303622241      622142        C-13-H3C-13-H2C-13-N
  948106.7445  0.0029 -5.1549 3  230.0695 77  58516 30338 831      37 632        C-13-H3C-13-H2C-13-N
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  948137.3526  0.0086 -4.0989 3  908.6237127  58516 303632242      632143        C-13-H3C-13-H2C-13-N
  948175.2470  0.0243 -5.0611 3  312.2357 97  58516 30348 346      47 047        C-13-H3C-13-H2C-13-N
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  948315.2099  0.0087 -4.1284 3  927.0916129  58516 303642243      642144        C-13-H3C-13-H2C-13-N
  948493.8720  0.0088 -4.1587 3  945.8457131  58516 303652243      652144        C-13-H3C-13-H2C-13-N
  948493.8720  0.0088 -4.1587 3  945.8457131  58516 303652244      652145        C-13-H3C-13-H2C-13-N
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  948673.2554  0.0089 -4.1898 3  964.8858133  58516 303662245      662146        C-13-H3C-13-H2C-13-N
  948783.2102  0.0243 -4.3771 3 1789.7442221  58516 303B0 8A2      A9 8A1        C-13-H3C-13-H2C-13-N
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  948853.2763  0.0090 -4.2216 3  984.2118135  58516 303672246      672147        C-13-H3C-13-H2C-13-N
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  949002.9638  0.0270 -4.4605 3 1835.8113227  58516 303B3 5A8      B2 5A7        C-13-H3C-13-H2C-13-N
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  949033.8499  0.0091 -4.2542 3 1003.8236137  58516 303682247      682148        C-13-H3C-13-H2C-13-N
  949170.5094  0.0297 -4.4734 3 1835.2051221  58516 303B01298      A91297        C-13-H3C-13-H2C-13-N
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  949214.8908  0.0092 -4.2875 3 1023.7210139  58516 303692248      692149        C-13-H3C-13-H2C-13-N
  949216.0559  0.0262 -4.4396 3 1819.3882221  58516 303B011A0      A91199        C-13-H3C-13-H2C-13-N
  949396.3132  0.0093 -4.3216 3 1043.9039141  58516 303702248      702149        C-13-H3C-13-H2C-13-N
  949396.3132  0.0093 -4.3216 3 1043.9039141  58516 303702249      702150        C-13-H3C-13-H2C-13-N
  949514.1392  0.0059 -5.4896 3  457.6101109  58516 30354 945      54 648        C-13-H3C-13-H2C-13-N
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  949578.0303  0.0095 -4.3564 3 1064.3723143  58516 303712250      712151        C-13-H3C-13-H2C-13-N
  949594.3725  0.0464 -4.4783 3 1852.9348235  58516 303B7 0B7      B6 0B6        C-13-H3C-13-H2C-13-N
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  949594.3725  0.0464 -5.4718 3 1852.9348235  58516 303B7 1B7      B6 0B6        C-13-H3C-13-H2C-13-N
  949594.3725  0.0464 -4.4783 3 1852.9348235  58516 303B7 1B7      B6 1B6        C-13-H3C-13-H2C-13-N
  949649.4974  0.0020 -3.4967 3  519.1489113  58516 303561146      551045        C-13-H3C-13-H2C-13-N
  949650.6550  0.0020 -3.4967 3  519.1488113  58516 303561145      551046        C-13-H3C-13-H2C-13-N
  949759.9549  0.0096 -4.3920 3 1085.1260145  58516 303722250      722151        C-13-H3C-13-H2C-13-N
  949759.9549  0.0096 -4.3920 3 1085.1260145  58516 303722251      722152        C-13-H3C-13-H2C-13-N
  949941.9992  0.0098 -4.4282 3 1106.1648147  58516 303732251      732152        C-13-H3C-13-H2C-13-N
  949941.9992  0.0098 -4.4282 3 1106.1648147  58516 303732252      732153        C-13-H3C-13-H2C-13-N
  950124.0746  0.0100 -4.4652 3 1127.4887149  58516 303742252      742153        C-13-H3C-13-H2C-13-N
  950124.0746  0.0100 -4.4652 3 1127.4887149  58516 303742253      742154        C-13-H3C-13-H2C-13-N
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  950306.0923  0.0102 -4.5029 3 1149.0974151  58516 303752254      752155        C-13-H3C-13-H2C-13-N
  950487.9627  0.0104 -4.5413 3 1170.9910153  58516 303762254      762155        C-13-H3C-13-H2C-13-N
  950487.9627  0.0104 -4.5413 3 1170.9910153  58516 303762255      762156        C-13-H3C-13-H2C-13-N
  950596.5117  0.0294 -4.4800 3 1847.8878229  58516 303B4 5B0      B3 5A9        C-13-H3C-13-H2C-13-N
  950596.7658  0.0294 -4.4800 3 1847.8877229  58516 303B4 4B0      B3 4A9        C-13-H3C-13-H2C-13-N
  950669.5956  0.0107 -4.5805 3 1193.1692155  58516 303772255      772156        C-13-H3C-13-H2C-13-N
  950669.5956  0.0107 -4.5805 3 1193.1692155  58516 303772256      772157        C-13-H3C-13-H2C-13-N
  950850.9006  0.0109 -4.6203 3 1215.6319157  58516 303782256      782157        C-13-H3C-13-H2C-13-N
  950850.9006  0.0109 -4.6203 3 1215.6319157  58516 303782257      782158        C-13-H3C-13-H2C-13-N
  950971.8421  0.0090 -4.3415 3  619.7416131  58516 30365 659      64 560        C-13-H3C-13-H2C-13-N
  950988.1127  0.0299 -4.3346 3 1768.5428219  58516 303A9 9A0      A8 999        C-13-H3C-13-H2C-13-N
  951031.7864  0.0112 -4.6608 3 1238.3790159  58516 303792257      792158        C-13-H3C-13-H2C-13-N
  951031.7864  0.0112 -4.6608 3 1238.3790159  58516 303792258      792159        C-13-H3C-13-H2C-13-N
  951212.1616  0.0115 -4.7020 3 1261.4104161  58516 303802258      802159        C-13-H3C-13-H2C-13-N
  951212.1616  0.0115 -4.7020 3 1261.4104161  58516 303802259      802160        C-13-H3C-13-H2C-13-N
  951309.7136  0.0063 -4.9848 3  626.6317131  58516 30365 758      64 559        C-13-H3C-13-H2C-13-N
  951391.9341  0.0119 -4.7439 3 1284.7258163  58516 303812259      812160        C-13-H3C-13-H2C-13-N
  951391.9341  0.0119 -4.7439 3 1284.7258163  58516 303812260      812161        C-13-H3C-13-H2C-13-N
  951530.0441  0.0392 -4.3530 3 1777.4319219  58516 303A91099      A81098        C-13-H3C-13-H2C-13-N
  951571.0114  0.0122 -4.7865 3 1308.3253165  58516 303822260      822161        C-13-H3C-13-H2C-13-N
  951571.0114  0.0122 -4.7865 3 1308.3253165  58516 303822261      822162        C-13-H3C-13-H2C-13-N
  951633.4872  0.0088 -4.4205 3  521.5348121  58516 30360 555      59 456        C-13-H3C-13-H2C-13-N
  951714.8341  0.0040 -3.9536 3  726.4595139  58516 30369 961      68 860        C-13-H3C-13-H2C-13-N
  951749.3006  0.0126 -4.8297 3 1332.2085167  58516 303832261      832162        C-13-H3C-13-H2C-13-N
  951749.3006  0.0126 -4.8297 3 1332.2085167  58516 303832262      832163        C-13-H3C-13-H2C-13-N
  951926.7082  0.0130 -4.8737 3 1356.3754169  58516 303842262      842163        C-13-H3C-13-H2C-13-N
  951926.7082  0.0130 -4.8737 3 1356.3754169  58516 303842263      842164        C-13-H3C-13-H2C-13-N
  952103.1405  0.0135 -4.9183 3 1380.8259171  58516 303852263      852164        C-13-H3C-13-H2C-13-N
  952103.1405  0.0135 -4.9183 3 1380.8259171  58516 303852264      852165        C-13-H3C-13-H2C-13-N
  952105.4149  0.0036 -3.9142 3  706.5134137  58516 30368 959      67 860        C-13-H3C-13-H2C-13-N
  952274.7676  0.0335 -4.9304 3 2053.3736223  58516 303B12091      B02090        C-13-H3C-13-H2C-13-N
  952274.7676  0.0335 -4.9304 3 2053.3736223  58516 303B12092      B02091        C-13-H3C-13-H2C-13-N
  952278.5034  0.0139 -4.9636 3 1405.5597173  58516 303862264      862165        C-13-H3C-13-H2C-13-N
  952278.5034  0.0139 -4.9636 3 1405.5597173  58516 303862265      862166        C-13-H3C-13-H2C-13-N
  952289.2894  0.0318 -4.4969 3 1858.7305231  58516 303B5 4B2      B4 4B1        C-13-H3C-13-H2C-13-N
  952289.2985  0.0318 -4.4969 3 1858.7305231  58516 303B5 3B2      B4 3B1        C-13-H3C-13-H2C-13-N
  952294.3975  0.0313 -4.8687 3 2024.4659223  58516 303B11992      B01991        C-13-H3C-13-H2C-13-N
  952294.3975  0.0313 -4.8687 3 2024.4659223  58516 303B11993      B01992        C-13-H3C-13-H2C-13-N
  952329.0265  0.0363 -4.9951 3 2083.7793223  58516 303B12190      B02189        C-13-H3C-13-H2C-13-N
  952329.0265  0.0363 -4.9951 3 2083.7793223  58516 303B12191      B02190        C-13-H3C-13-H2C-13-N
  952358.3071  0.0262 -4.4385 3 1822.5185223  58516 303B1 9A3      B0 9A2        C-13-H3C-13-H2C-13-N
  952402.7535  0.0296 -4.8102 3 1997.0767223  58516 303B11894      B01893        C-13-H3C-13-H2C-13-N
  952402.7539  0.0296 -4.8102 3 1997.0767223  58516 303B11893      B01892        C-13-H3C-13-H2C-13-N
  952446.0852  0.0398 -5.0630 3 2115.6652223  58516 303B12289      B02288        C-13-H3C-13-H2C-13-N
  952446.0852  0.0398 -5.0630 3 2115.6652223  58516 303B12290      B02289        C-13-H3C-13-H2C-13-N
  952452.7022  0.0144 -5.0095 3 1430.5768175  58516 303872265      872166        C-13-H3C-13-H2C-13-N
  952452.7022  0.0144 -5.0095 3 1430.5768175  58516 303872266      872167        C-13-H3C-13-H2C-13-N
  952477.9267  0.0023 -3.6811 3  606.6615125  58516 303621053      61 952        C-13-H3C-13-H2C-13-N
  952490.2534  0.0021 -3.3668 3  458.1639103  58516 303511240      501139        C-13-H3C-13-H2C-13-N
  952490.2592  0.0021 -3.3668 3  458.1639103  58516 303511239      501140        C-13-H3C-13-H2C-13-N
  952617.4587  0.0442 -5.1340 3 2149.0154223  58516 303B12388      B02387        C-13-H3C-13-H2C-13-N
  952617.4587  0.0442 -5.1340 3 2149.0154223  58516 303B12389      B02388        C-13-H3C-13-H2C-13-N
  952618.3455  0.0023 -3.6810 3  606.6572125  58516 303621052      61 953        C-13-H3C-13-H2C-13-N
  952620.2659  0.0285 -4.7549 3 1971.2309223  58516 303B11795      B01794        C-13-H3C-13-H2C-13-N
  952620.2727  0.0285 -4.7549 3 1971.2309223  58516 303B11794      B01793        C-13-H3C-13-H2C-13-N
  952625.6419  0.0149 -5.0562 3 1455.8770177  58516 303882266      882167        C-13-H3C-13-H2C-13-N
  952625.6419  0.0149 -5.0562 3 1455.8770177  58516 303882267      882168        C-13-H3C-13-H2C-13-N
  952797.2274  0.0155 -5.1034 3 1481.4601179  58516 303892267      892168        C-13-H3C-13-H2C-13-N
  952797.2274  0.0155 -5.1034 3 1481.4601179  58516 303892268      892169        C-13-H3C-13-H2C-13-N
  952836.5237  0.0498 -5.2080 3 2183.8153223  58516 303B12487      B02486        C-13-H3C-13-H2C-13-N
  952836.5237  0.0498 -5.2080 3 2183.8153223  58516 303B12488      B02487        C-13-H3C-13-H2C-13-N
  952967.3629  0.0160 -5.1514 3 1507.3260181  58516 303902268      902169        C-13-H3C-13-H2C-13-N
  952967.3629  0.0160 -5.1514 3 1507.3260181  58516 303902269      902170        C-13-H3C-13-H2C-13-N
  952976.0794  0.0278 -4.7029 3 1946.9592223  58516 303B11696      B01695        C-13-H3C-13-H2C-13-N
  952976.1857  0.0278 -4.7029 3 1946.9592223  58516 303B11695      B01694        C-13-H3C-13-H2C-13-N
  953098.0205  0.0567 -5.2851 3 2220.0513223  58516 303B12586      B02585        C-13-H3C-13-H2C-13-N
  953098.0205  0.0567 -5.2851 3 2220.0513223  58516 303B12587      B02586        C-13-H3C-13-H2C-13-N
  953135.9524  0.0166 -5.2000 3 1533.4745183  58516 303912269      912170        C-13-H3C-13-H2C-13-N
  953135.9524  0.0166 -5.2000 3 1533.4745183  58516 303912270      912171        C-13-H3C-13-H2C-13-N
  953302.8996  0.0172 -5.2493 3 1559.9055185  58516 303922270      922171        C-13-H3C-13-H2C-13-N
  953302.8996  0.0172 -5.2493 3 1559.9055185  58516 303922271      922172        C-13-H3C-13-H2C-13-N
  953397.7075  0.0653 -5.3652 3 2257.7105223  58516 303B12685      B02684        C-13-H3C-13-H2C-13-N
  953397.7075  0.0653 -5.3652 3 2257.7105223  58516 303B12686      B02685        C-13-H3C-13-H2C-13-N
  953468.1077  0.0179 -5.2992 3 1586.6188187  58516 303932271      932172        C-13-H3C-13-H2C-13-N
  953468.1077  0.0179 -5.2992 3 1586.6188187  58516 303932272      932173        C-13-H3C-13-H2C-13-N
  953513.4080  0.0277 -4.6541 3 1924.3024223  58516 303B11597      B01596        C-13-H3C-13-H2C-13-N
  953514.8415  0.0277 -4.6541 3 1924.3026223  58516 303B11596      B01595        C-13-H3C-13-H2C-13-N
  953631.4799  0.0186 -5.3498 3 1613.6143189  58516 303942272      942173        C-13-H3C-13-H2C-13-N
  953631.4799  0.0186 -5.3498 3 1613.6143189  58516 303942273      942174        C-13-H3C-13-H2C-13-N
  953732.1168  0.0760 -5.4482 3 2296.7804223  58516 303B12784      B02783        C-13-H3C-13-H2C-13-N
  953732.1168  0.0760 -5.4482 3 2296.7804223  58516 303B12785      B02784        C-13-H3C-13-H2C-13-N
  953792.9189  0.0193 -5.4010 3 1640.8918191  58516 303952273      952174        C-13-H3C-13-H2C-13-N
  953792.9189  0.0193 -5.4010 3 1640.8918191  58516 303952274      952175        C-13-H3C-13-H2C-13-N
  953919.5010  0.0406 -4.4375 3 1820.4180221  58516 303B01199      A91198        C-13-H3C-13-H2C-13-N
  953952.3271  0.0201 -5.4529 3 1668.4511193  58516 303962274      962175        C-13-H3C-13-H2C-13-N
  953952.3271  0.0201 -5.4529 3 1668.4511193  58516 303962275      962176        C-13-H3C-13-H2C-13-N
  954025.7724  0.0353 -4.5114 3 1868.4264233  58516 303B6 3B4      B5 3B3        C-13-H3C-13-H2C-13-N
  954025.7726  0.0353 -4.5114 3 1868.4264233  58516 303B6 2B4      B5 2B3        C-13-H3C-13-H2C-13-N
  954095.7539  0.0021 -3.2599 3  405.9431 93  58516 303461333      451234        C-13-H3C-13-H2C-13-N
  954095.7539  0.0021 -3.2599 3  405.9431 93  58516 303461334      451233        C-13-H3C-13-H2C-13-N
  954150.4067  0.0265 -4.4671 3 1839.0151225  58516 303B2 8A5      B1 8A4        C-13-H3C-13-H2C-13-N
  954296.5349  0.0282 -4.6086 3 1903.3164223  58516 303B11498      B01497        C-13-H3C-13-H2C-13-N
  954312.7984  0.0284 -4.6086 3 1903.3187223  58516 303B11497      B01496        C-13-H3C-13-H2C-13-N
  954518.6760  0.0036 -2.9894 3  274.9016 43  58516 3032118 3      2017 4        C-13-H3C-13-H2C-13-N
  954518.6760  0.0036 -2.9894 3  274.9016 43  58516 3032118 4      2017 3        C-13-H3C-13-H2C-13-N
  954781.7401  0.0266 -4.4662 3 1838.8686225  58516 303B2 7A5      B1 7A4        C-13-H3C-13-H2C-13-N
  954962.3742  0.0021 -3.1733 3  362.4237 83  58516 303411427      401328        C-13-H3C-13-H2C-13-N
  954962.3742  0.0021 -3.1733 3  362.4237 83  58516 303411428      401327        C-13-H3C-13-H2C-13-N
  955015.7939  0.0050 -5.2109 3  209.2391 77  58516 30338 632      37 335        C-13-H3C-13-H2C-13-N
  955058.9572  0.0029 -3.0165 3  283.8171 53  58516 3032617 9      251610        C-13-H3C-13-H2C-13-N
  955058.9572  0.0029 -3.0165 3  283.8171 53  58516 303261710      2516 9        C-13-H3C-13-H2C-13-N
  955202.5277  0.0037 -5.0134 3  373.3564101  58516 30350 744      49 545        C-13-H3C-13-H2C-13-N
  955335.7974  0.0022 -3.1053 3  327.5726 73  58516 303361521      351422        C-13-H3C-13-H2C-13-N
  955335.7974  0.0022 -3.1053 3  327.5726 73  58516 303361522      351421        C-13-H3C-13-H2C-13-N
  955344.6185  0.0024 -3.0538 3  301.3731 63  58516 303311615      301516        C-13-H3C-13-H2C-13-N
  955344.6185  0.0024 -3.0538 3  301.3731 63  58516 303311616      301515        C-13-H3C-13-H2C-13-N
  955398.8919  0.0294 -4.5666 3 1884.0791223  58516 303B11399      B01398        C-13-H3C-13-H2C-13-N
  955448.1378  0.0284 -4.4930 3 1853.9898227  58516 303B3 7A7      B2 7A6        C-13-H3C-13-H2C-13-N
  955497.5961  0.0085 -5.1280 3  521.4059121  58516 30360 555      59 356        C-13-H3C-13-H2C-13-N
  955506.0925  0.0029 -5.1405 3  241.0950 79  58516 30339 831      38 632        C-13-H3C-13-H2C-13-N
  955509.7658  0.0284 -4.4929 3 1853.9769227  58516 303B3 6A7      B2 6A6        C-13-H3C-13-H2C-13-N
  955549.7909  0.0303 -4.5665 3 1884.1022223  58516 303B11398      B01397        C-13-H3C-13-H2C-13-N
  955557.9145  0.0030 -5.4319 3  145.6656 57  58516 30328 919      27 720        C-13-H3C-13-H2C-13-N
  955558.1890  0.0030 -5.4319 3  145.6656 57  58516 30328 920      27 721        C-13-H3C-13-H2C-13-N
  955774.6952  0.0405 -4.5236 3 1877.0375235  58516 303B7 1B6      B6 1B5        C-13-H3C-13-H2C-13-N
  955774.6952  0.0405 -4.5236 3 1877.0375235  58516 303B7 2B6      B6 2B5        C-13-H3C-13-H2C-13-N
  956062.8704  0.0029 -5.1402 3  241.0764 79  58516 30339 832      38 633        C-13-H3C-13-H2C-13-N
  956339.0987  0.0278 -4.4324 3 1821.3922223  58516 303B1 8A3      B0 8A2        C-13-H3C-13-H2C-13-N
  956486.5082  0.0295 -4.4647 3 1836.6963223  58516 303B110A2      B010A1        C-13-H3C-13-H2C-13-N
  956752.6180  0.0308 -4.5283 3 1866.6733223  58516 303B112A0      B01299        C-13-H3C-13-H2C-13-N
  956894.2558  0.0313 -4.5157 3 1867.4674229  58516 303B4 6A9      B3 6A8        C-13-H3C-13-H2C-13-N
  956898.4751  0.0313 -4.5156 3 1867.4666229  58516 303B4 5A9      B3 5A8        C-13-H3C-13-H2C-13-N
  957277.1913  0.0046 -4.4260 3  409.2166107  58516 30353 648      52 349        C-13-H3C-13-H2C-13-N
  957434.8081  0.0066 -5.1765 3  400.9948107  58516 30353 549      52 350        C-13-H3C-13-H2C-13-N
  957515.7135  0.0541 -4.5336 3 1884.6098237  58516 303B8 0B8      B7 0B7        C-13-H3C-13-H2C-13-N
  957515.7135  0.0541 -4.5336 3 1884.6098237  58516 303B8 1B8      B7 1B7        C-13-H3C-13-H2C-13-N
  957643.4005  0.0310 -4.4942 3 1851.0506223  58516 303B111A1      B011A0        C-13-H3C-13-H2C-13-N
  957838.2223  0.0357 -4.5277 3 1866.8660223  58516 303B11299      B01298        C-13-H3C-13-H2C-13-N
  957892.5975  0.0044 -3.9893 3  746.5028141  58516 30370 962      69 861        C-13-H3C-13-H2C-13-N
  957971.0019  0.0099 -4.1621 3  776.4790145  58516 30372 864      71 765        C-13-H3C-13-H2C-13-N
  958017.7469  0.0020 -3.5194 3  535.3225115  58516 303571147      561046        C-13-H3C-13-H2C-13-N
  958019.3876  0.0020 -3.5194 3  535.3225115  58516 303571146      561047        C-13-H3C-13-H2C-13-N
  958330.9548  0.0073 -5.3808 3  224.3700 81  58516 30340 535      39 238        C-13-H3C-13-H2C-13-N
  958501.4061  0.0341 -4.5353 3 1879.5962231  58516 303B5 5B1      B4 5B0        C-13-H3C-13-H2C-13-N
  958501.6140  0.0341 -4.5353 3 1879.5962231  58516 303B5 4B1      B4 4B0        C-13-H3C-13-H2C-13-N
  958595.4407  0.0065 -4.4756 3  400.9560107  58516 30353 549      52 250        C-13-H3C-13-H2C-13-N
  958921.4084  0.0340 -4.3897 3 1800.2644221  58516 303B0 9A1      A9 9A0        C-13-H3C-13-H2C-13-N
  959228.2287  0.0049 -5.0526 3  424.8115109  58516 30354 649      53 450        C-13-H3C-13-H2C-13-N
  959534.7001  0.0068 -4.9982 3  645.6493133  58516 30366 759      65 560        C-13-H3C-13-H2C-13-N
  960099.2853  0.0039 -3.9479 3  726.2130139  58516 30369 960      68 861        C-13-H3C-13-H2C-13-N
  960199.3247  0.0371 -4.5524 3 1890.4955233  58516 303B6 4B3      B5 4B2        C-13-H3C-13-H2C-13-N
  960199.3320  0.0371 -4.5524 3 1890.4955233  58516 303B6 3B3      B5 3B2        C-13-H3C-13-H2C-13-N
  960328.5728  0.0303 -4.4937 3 1854.2858225  58516 303B2 9A4      B1 9A3        C-13-H3C-13-H2C-13-N
  960343.0860  0.0455 -4.4074 3 1809.1715221  58516 303B010A0      A91099        C-13-H3C-13-H2C-13-N
  960489.9508  0.0024 -3.7087 3  624.5908127  58516 303631054      62 953        C-13-H3C-13-H2C-13-N
  960644.7405  0.0389 -4.9851 3 2085.1381225  58516 303B22092      B12091        C-13-H3C-13-H2C-13-N
  960644.7405  0.0389 -4.9851 3 2085.1381225  58516 303B22093      B12092        C-13-H3C-13-H2C-13-N
  960670.9463  0.0365 -4.9234 3 2056.2310225  58516 303B21994      B11993        C-13-H3C-13-H2C-13-N
  960670.9464  0.0365 -4.9234 3 2056.2310225  58516 303B21993      B11992        C-13-H3C-13-H2C-13-N
  960674.8729  0.0024 -3.7085 3  624.5851127  58516 303631053      62 954        C-13-H3C-13-H2C-13-N
  960694.0598  0.0420 -5.0498 3 2115.5456225  58516 303B22191      B12190        C-13-H3C-13-H2C-13-N
  960694.0598  0.0420 -5.0498 3 2115.5456225  58516 303B22192      B12191        C-13-H3C-13-H2C-13-N
  960787.9717  0.0347 -4.8650 3 2028.8454225  58516 303B21895      B11894        C-13-H3C-13-H2C-13-N
  960787.9722  0.0347 -4.8650 3 2028.8454225  58516 303B21894      B11893        C-13-H3C-13-H2C-13-N
  960807.4918  0.0459 -5.1177 3 2147.4354225  58516 303B22290      B12289        C-13-H3C-13-H2C-13-N
  960807.4918  0.0459 -5.1177 3 2147.4354225  58516 303B22291      B12290        C-13-H3C-13-H2C-13-N
  960976.3147  0.0507 -5.1886 3 2180.7913225  58516 303B22389      B12388        C-13-H3C-13-H2C-13-N
  960976.3147  0.0507 -5.1886 3 2180.7913225  58516 303B22390      B12389        C-13-H3C-13-H2C-13-N
  961015.8669  0.0021 -3.3858 3  472.8866105  58516 303521241      511140        C-13-H3C-13-H2C-13-N
  961015.8758  0.0021 -3.3858 3  472.8866105  58516 303521240      511141        C-13-H3C-13-H2C-13-N
  961016.9210  0.0335 -4.8097 3 2003.0069225  58516 303B21796      B11795        C-13-H3C-13-H2C-13-N
  961016.9298  0.0335 -4.8097 3 2003.0069225  58516 303B21795      B11794        C-13-H3C-13-H2C-13-N
  961160.3854  0.0119 -5.3950 3  362.6906103  58516 30351 448      50 249        C-13-H3C-13-H2C-13-N
  961193.7274  0.0567 -5.2627 3 2215.5985225  58516 303B22488      B12487        C-13-H3C-13-H2C-13-N
  961193.7274  0.0567 -5.2627 3 2215.5985225  58516 303B22489      B12488        C-13-H3C-13-H2C-13-N
  961246.4899  0.0119 -4.6795 3  362.6877103  58516 30351 448      50 149        C-13-H3C-13-H2C-13-N
  961387.9799  0.0328 -4.7577 3 1978.7471225  58516 303B21697      B11696        C-13-H3C-13-H2C-13-N
  961388.1156  0.0328 -4.7577 3 1978.7471225  58516 303B21696      B11695        C-13-H3C-13-H2C-13-N
  961454.3332  0.0641 -5.3397 3 2251.8433225  58516 303B22587      B12586        C-13-H3C-13-H2C-13-N
  961454.3332  0.0641 -5.3397 3 2251.8433225  58516 303B22588      B12587        C-13-H3C-13-H2C-13-N
  961707.6694  0.0126 -4.2875 3  725.8103141  58516 30370 763      69 664        C-13-H3C-13-H2C-13-N
  961753.7831  0.0733 -5.4198 3 2289.5125225  58516 303B22686      B12685        C-13-H3C-13-H2C-13-N
  961753.7831  0.0733 -5.4198 3 2289.5125225  58516 303B22687      B12686        C-13-H3C-13-H2C-13-N
  961939.0764  0.0415 -4.5670 3 1900.2493235  58516 303B7 3B5      B6 3B4        C-13-H3C-13-H2C-13-N
  961939.0766  0.0415 -4.5670 3 1900.2493235  58516 303B7 2B5      B6 2B4        C-13-H3C-13-H2C-13-N
  961945.9979  0.0328 -4.7089 3 1956.1082225  58516 303B21598      B11597        C-13-H3C-13-H2C-13-N
  961947.7919  0.0328 -4.7089 3 1956.1084225  58516 303B21597      B11596        C-13-H3C-13-H2C-13-N
  962031.5370  0.0307 -4.5226 3 1870.8421227  58516 303B3 8A6      B2 8A5        C-13-H3C-13-H2C-13-N
  962575.4380  0.0308 -4.5219 3 1870.7166227  58516 303B3 7A6      B2 7A5        C-13-H3C-13-H2C-13-N
  962711.0260  0.0021 -3.2756 3  419.2215 95  58516 303471335      461234        C-13-H3C-13-H2C-13-N
  962711.0261  0.0021 -3.2756 3  419.2215 95  58516 303471334      461235        C-13-H3C-13-H2C-13-N
  962757.2662  0.0336 -4.6635 3 1935.1484225  58516 303B21499      B11498        C-13-H3C-13-H2C-13-N
  962777.2056  0.0337 -4.6635 3 1935.1511225  58516 303B21498      B11497        C-13-H3C-13-H2C-13-N
  962897.7903  0.0485 -4.4919 3 1852.2373223  58516 303B111A0      B01199        C-13-H3C-13-H2C-13-N
  963218.5476  0.0030 -5.1273 3  252.4000 81  58516 30340 832      39 633        C-13-H3C-13-H2C-13-N
  963245.7135  0.0035 -2.9927 3  280.9748 45  58516 3032218 4      2117 5        C-13-H3C-13-H2C-13-N
  963245.7135  0.0035 -2.9927 3  280.9748 45  58516 3032218 5      2117 4        C-13-H3C-13-H2C-13-N
  963328.5865  0.0329 -4.5487 3 1885.8601229  58516 303B4 7A8      B3 7A7        C-13-H3C-13-H2C-13-N
  963380.5072  0.0329 -4.5486 3 1885.8493229  58516 303B4 6A8      B3 6A7        C-13-H3C-13-H2C-13-N
  963630.4696  0.0021 -3.1858 3  374.2607 85  58516 303421428      411329        C-13-H3C-13-H2C-13-N
  963630.4696  0.0021 -3.1858 3  374.2607 85  58516 303421429      411328        C-13-H3C-13-H2C-13-N
  963690.2526  0.0479 -4.5794 3 1908.9187237  58516 303B8 1B7      B7 1B6        C-13-H3C-13-H2C-13-N
  963690.2526  0.0479 -4.5794 3 1908.9187237  58516 303B8 2B7      B7 2B6        C-13-H3C-13-H2C-13-N
  963783.9890  0.0029 -3.0211 3  291.3325 55  58516 303271710      261611        C-13-H3C-13-H2C-13-N
  963783.9890  0.0029 -3.0211 3  291.3325 55  58516 303271711      261610        C-13-H3C-13-H2C-13-N
  963791.8869  0.0050 -4.0260 3  766.8456143  58516 30371 963      70 862        C-13-H3C-13-H2C-13-N
  963892.8186  0.0350 -4.6216 3 1915.9477225  58516 303B213A0      B11399        C-13-H3C-13-H2C-13-N
  963903.9748  0.0318 -4.4884 3 1853.2922225  58516 303B2 8A4      B1 8A3        C-13-H3C-13-H2C-13-N
  963966.4169  0.0030 -5.1269 3  252.3749 81  58516 30340 833      39 634        C-13-H3C-13-H2C-13-N
  964034.9761  0.0022 -3.1148 3  337.9695 75  58516 303371522      361423        C-13-H3C-13-H2C-13-N
  964034.9761  0.0022 -3.1148 3  337.9695 75  58516 303371523      361422        C-13-H3C-13-H2C-13-N
  964061.2500  0.0024 -3.0606 3  310.3296 65  58516 303321616      311517        C-13-H3C-13-H2C-13-N
  964061.2500  0.0024 -3.0606 3  310.3296 65  58516 303321617      311516        C-13-H3C-13-H2C-13-N
  964073.6505  0.0361 -4.6215 3 1915.9759225  58516 303B21399      B11398        C-13-H3C-13-H2C-13-N
  964076.5345  0.0029 -5.4002 3  153.7563 59  58516 30329 920      28 721        C-13-H3C-13-H2C-13-N
  964076.9896  0.0029 -5.4002 3  153.7563 59  58516 30329 921      28 722        C-13-H3C-13-H2C-13-N
  964429.3894  0.0038 -5.0153 3  387.8265103  58516 30351 745      50 546        C-13-H3C-13-H2C-13-N
  964669.0045  0.0343 -4.5201 3 1868.6012225  58516 303B210A3      B110A2        C-13-H3C-13-H2C-13-N
  964786.8261  0.0361 -4.5715 3 1899.3860231  58516 303B5 6B0      B4 6A9        C-13-H3C-13-H2C-13-N
  964790.3239  0.0361 -4.5714 3 1899.3853231  58516 303B5 5B0      B4 5A9        C-13-H3C-13-H2C-13-N
  965127.7986  0.0080 -5.4759 3  610.6099127  58516 30363 955      63 658        C-13-H3C-13-H2C-13-N
  965255.4679  0.0365 -4.5834 3 1898.5871225  58516 303B212A1      B112A0        C-13-H3C-13-H2C-13-N
  965264.8715  0.0085 -5.4830 3  629.1135129  58516 30364 956      64 659        C-13-H3C-13-H2C-13-N
  965276.6066  0.0076 -5.4705 3  592.3869125  58516 30362 954      62 657        C-13-H3C-13-H2C-13-N
  965432.9573  0.0630 -4.5896 3 1916.5491239  58516 303B9 0B9      B8 0B8        C-13-H3C-13-H2C-13-N
  965432.9573  0.0630 -4.5896 3 1916.5491239  58516 303B9 1B9      B8 1B8        C-13-H3C-13-H2C-13-N
  965643.7954  0.0082 -5.0646 3  619.2522131  58516 30365 659      64 460        C-13-H3C-13-H2C-13-N
  965683.9403  0.0072 -5.4666 3  574.4454123  58516 30361 953      61 656        C-13-H3C-13-H2C-13-N
  966051.1350  0.0366 -4.5494 3 1882.9942225  58516 303B211A2      B111A1        C-13-H3C-13-H2C-13-N
  966322.5494  0.0069 -5.4642 3  556.7863121  58516 30360 952      60 655        C-13-H3C-13-H2C-13-N
  966365.9521  0.0021 -3.5428 3  551.7852117  58516 303581148      571047        C-13-H3C-13-H2C-13-N
  966368.2616  0.0021 -3.5428 3  551.7851117  58516 303581147      571048        C-13-H3C-13-H2C-13-N
  966402.2961  0.0395 -4.5913 3 1911.5684233  58516 303B6 5B2      B5 5B1        C-13-H3C-13-H2C-13-N
  966402.4662  0.0395 -4.5913 3 1911.5684233  58516 303B6 4B2      B5 4B1        C-13-H3C-13-H2C-13-N
  966519.7767  0.0427 -4.5827 3 1898.8161225  58516 303B212A0      B11299        C-13-H3C-13-H2C-13-N
  966781.2610  0.0386 -4.4456 3 1832.2506223  58516 303B1 9A2      B0 9A1        C-13-H3C-13-H2C-13-N
  967165.4972  0.0066 -5.4633 3  539.4104119  58516 30359 951      59 654        C-13-H3C-13-H2C-13-N
  967168.5509  0.0260 -5.0807 3  325.4077 99  58516 30349 247      48 148        C-13-H3C-13-H2C-13-N
  968105.2618  0.0432 -4.6085 3 1922.5243235  58516 303B7 4B4      B6 4B3        C-13-H3C-13-H2C-13-N
  968105.2677  0.0432 -4.6085 3 1922.5243235  58516 303B7 3B4      B6 3B3        C-13-H3C-13-H2C-13-N
  968151.9816  0.0043 -3.9825 3  746.2024141  58516 30370 961      69 862        C-13-H3C-13-H2C-13-N
  968154.2533  0.0051 -5.1890 3  220.1058 79  58516 30339 633      38 336        C-13-H3C-13-H2C-13-N
  968186.3638  0.0063 -5.4639 3  522.3186117  58516 30358 950      58 653        C-13-H3C-13-H2C-13-N
  968281.8916  0.0350 -4.5497 3 1886.3189227  58516 303B3 9A5      B2 9A4        C-13-H3C-13-H2C-13-N
  968457.3375  0.0025 -3.7371 3  642.8105129  58516 303641055      63 954        C-13-H3C-13-H2C-13-N
  968699.5600  0.0025 -3.7369 3  642.8031129  58516 303641054      63 955        C-13-H3C-13-H2C-13-N
  968945.7253  0.0075 -5.0156 3  664.9339135  58516 30367 760      66 561        C-13-H3C-13-H2C-13-N
  969009.2036  0.0451 -5.0404 3 2117.1817227  58516 303B32093      B22092        C-13-H3C-13-H2C-13-N
  969009.2036  0.0451 -5.0404 3 2117.1817227  58516 303B32094      B22093        C-13-H3C-13-H2C-13-N
  969042.1357  0.0424 -4.9788 3 2088.2755227  58516 303B31995      B21994        C-13-H3C-13-H2C-13-N
  969042.1358  0.0424 -4.9788 3 2088.2755227  58516 303B31994      B21993        C-13-H3C-13-H2C-13-N
  969053.4612  0.0484 -5.1052 3 2147.5909227  58516 303B32192      B22191        C-13-H3C-13-H2C-13-N
  969053.4612  0.0484 -5.1052 3 2147.5909227  58516 303B32193      B22192        C-13-H3C-13-H2C-13-N
  969061.0342  0.0131 -4.7053 3  376.8922105  58516 30352 349      51 250        C-13-H3C-13-H2C-13-N
  969090.9092  0.0524 -4.4625 3 1841.2051223  58516 303B110A1      B010A0        C-13-H3C-13-H2C-13-N
  969129.5722  0.0131 -5.4227 3  376.8899105  58516 30352 349      51 150        C-13-H3C-13-H2C-13-N
  969163.1647  0.0526 -5.1730 3 2179.4845227  58516 303B32291      B22290        C-13-H3C-13-H2C-13-N
  969163.1647  0.0526 -5.1730 3 2179.4845227  58516 303B32292      B22291        C-13-H3C-13-H2C-13-N
  969168.0222  0.0405 -4.9204 3 2060.8939227  58516 303B31896      B21895        C-13-H3C-13-H2C-13-N
  969168.0228  0.0405 -4.9204 3 2060.8939227  58516 303B31895      B21894        C-13-H3C-13-H2C-13-N
  969275.0344  0.0259 -5.0794 3  325.4076 99  58516 30349 347      48 048        C-13-H3C-13-H2C-13-N
  969329.3504  0.0579 -5.2440 3 2212.8460227  58516 303B32390      B22389        C-13-H3C-13-H2C-13-N
  969329.3504  0.0579 -5.2440 3 2212.8460227  58516 303B32391      B22390        C-13-H3C-13-H2C-13-N
  969359.4415  0.0061 -5.4660 3  505.5117115  58516 30357 949      57 652        C-13-H3C-13-H2C-13-N
  969381.8992  0.0056 -4.0639 3  787.4889145  58516 30372 964      71 863        C-13-H3C-13-H2C-13-N
  969408.6628  0.0392 -4.8652 3 2035.0629227  58516 303B31797      B21796        C-13-H3C-13-H2C-13-N
  969408.6742  0.0392 -4.8652 3 2035.0629227  58516 303B31796      B21795        C-13-H3C-13-H2C-13-N
  969529.6315  0.0021 -3.4056 3  487.8977107  58516 303531242      521141        C-13-H3C-13-H2C-13-N
  969529.6449  0.0021 -3.4056 3  487.8977107  58516 303531241      521142        C-13-H3C-13-H2C-13-N
  969545.0354  0.0644 -5.3180 3 2247.6605227  58516 303B32489      B22488        C-13-H3C-13-H2C-13-N
  969545.0354  0.0644 -5.3180 3 2247.6605227  58516 303B32490      B22489        C-13-H3C-13-H2C-13-N
  969795.3219  0.0386 -4.8132 3 2010.8155227  58516 303B31698      B21697        C-13-H3C-13-H2C-13-N
  969795.4945  0.0386 -4.8132 3 2010.8156227  58516 303B31697      B21696        C-13-H3C-13-H2C-13-N
  969804.6835  0.0724 -5.3950 3 2283.9139227  58516 303B32588      B22587        C-13-H3C-13-H2C-13-N
  969804.6835  0.0724 -5.3950 3 2283.9139227  58516 303B32589      B22588        C-13-H3C-13-H2C-13-N
  969848.2511  0.0485 -4.6233 3 1932.3362237  58516 303B8 3B6      B7 3B5        C-13-H3C-13-H2C-13-N
  969848.2512  0.0485 -4.6233 3 1932.3362237  58516 303B8 2B6      B7 2B5        C-13-H3C-13-H2C-13-N
  969906.1336  0.0355 -4.5788 3 1902.9320229  58516 303B4 8A7      B3 8A6        C-13-H3C-13-H2C-13-N
  970103.8363  0.0822 -5.4751 3 2321.5931227  58516 303B32687      B22686        C-13-H3C-13-H2C-13-N
  970103.8363  0.0822 -5.4751 3 2321.5931227  58516 303B32688      B22687        C-13-H3C-13-H2C-13-N
  970143.8156  0.0047 -4.4255 3  424.4474109  58516 30354 649      53 350        C-13-H3C-13-H2C-13-N
  970324.6873  0.0113 -4.2060 3  797.3140147  58516 30373 865      72 766        C-13-H3C-13-H2C-13-N
  970374.0236  0.0355 -4.5782 3 1902.8247229  58516 303B4 7A7      B3 7A6        C-13-H3C-13-H2C-13-N
  970374.5350  0.0387 -4.7645 3 1988.1953227  58516 303B31599      B21598        C-13-H3C-13-H2C-13-N
  970376.7737  0.0387 -4.7645 3 1988.1956227  58516 303B31598      B21597        C-13-H3C-13-H2C-13-N
  970659.9178  0.0059 -5.4696 3  488.9904113  58516 30356 948      56 651        C-13-H3C-13-H2C-13-N
  970722.7515  0.0536 -5.4377 3 1545.6504205  58516 303A2 994      A1 893        C-13-H3C-13-H2C-13-N
  970822.0396  0.0030 -5.1156 3  263.9985 83  58516 30341 833      40 634        C-13-H3C-13-H2C-13-N
  971205.1975  0.0379 -4.6050 3 1917.9933231  58516 303B5 7A9      B4 7A8        C-13-H3C-13-H2C-13-N
  971214.5330  0.0396 -4.7191 3 1967.2625227  58516 303B314A0      B21499        C-13-H3C-13-H2C-13-N
  971238.9101  0.0398 -4.7191 3 1967.2659227  58516 303B31499      B21498        C-13-H3C-13-H2C-13-N
  971248.9109  0.0379 -4.6049 3 1917.9842231  58516 303B5 6A9      B4 6A8        C-13-H3C-13-H2C-13-N
  971319.1987  0.0021 -3.2920 3  432.7880 97  58516 303481335      471236        C-13-H3C-13-H2C-13-N
  971319.1987  0.0021 -3.2920 3  432.7880 97  58516 303481336      471235        C-13-H3C-13-H2C-13-N
  971334.8595  0.0535 -5.3936 3 1516.2862203  58516 303A1 993      A0 892        C-13-H3C-13-H2C-13-N
  971345.5395  0.0096 -4.5366 3  446.6891113  58516 30356 452      55 353        C-13-H3C-13-H2C-13-N
  971480.3815  0.0363 -4.5450 3 1885.4446227  58516 303B3 8A5      B2 8A4        C-13-H3C-13-H2C-13-N
  971601.6770  0.0563 -4.6358 3 1941.0640239  58516 303B9 1B8      B8 1B7        C-13-H3C-13-H2C-13-N
  971601.6770  0.0563 -4.6358 3 1941.0640239  58516 303B9 2B8      B8 2B7        C-13-H3C-13-H2C-13-N
  971817.5816  0.0030 -5.1150 3  263.9651 83  58516 30341 834      40 635        C-13-H3C-13-H2C-13-N
  971888.9216  0.0574 -4.5470 3 1884.3562225  58516 303B211A1      B111A0        C-13-H3C-13-H2C-13-N
  971974.2107  0.0034 -2.9963 3  287.3369 47  58516 3032318 5      2217 6        C-13-H3C-13-H2C-13-N
  971974.2107  0.0034 -2.9963 3  287.3369 47  58516 3032318 6      2217 5        C-13-H3C-13-H2C-13-N
  971975.5818  0.0095 -5.2496 3  446.6681113  58516 30356 452      55 253        C-13-H3C-13-H2C-13-N
  972064.0465  0.0057 -5.4746 3  472.7556111  58516 30355 947      55 650        C-13-H3C-13-H2C-13-N
  972294.5143  0.0021 -3.1990 3  386.3860 87  58516 303431429      421330        C-13-H3C-13-H2C-13-N
  972294.5143  0.0021 -3.1990 3  386.3860 87  58516 303431430      421329        C-13-H3C-13-H2C-13-N
  972347.1024  0.0533 -5.3494 3 1487.1820201  58516 303A0 992      99 891        C-13-H3C-13-H2C-13-N
  972382.9231  0.0414 -4.6773 3 1948.0997227  58516 303B313A1      B213A0        C-13-H3C-13-H2C-13-N
  972509.6272  0.0028 -3.0262 3  299.1367 57  58516 303281711      271612        C-13-H3C-13-H2C-13-N
  972509.6272  0.0028 -3.0262 3  299.1367 57  58516 303281712      271611        C-13-H3C-13-H2C-13-N
  972573.3961  0.0029 -5.3707 3  162.1367 61  58516 30330 921      29 722        C-13-H3C-13-H2C-13-N
  972574.1366  0.0029 -5.3707 3  162.1367 61  58516 30330 922      29 723        C-13-H3C-13-H2C-13-N
  972598.9913  0.0428 -4.6772 3 1948.1339227  58516 303B313A0      B21399        C-13-H3C-13-H2C-13-N
  972675.5480  0.0416 -4.6279 3 1931.5678233  58516 303B6 6B1      B5 6B0        C-13-H3C-13-H2C-13-N
  972678.4468  0.0416 -4.6279 3 1931.5672233  58516 303B6 5B1      B5 5B0        C-13-H3C-13-H2C-13-N
  972732.1802  0.0022 -3.1250 3  348.6546 77  58516 303381523      371424        C-13-H3C-13-H2C-13-N
  972732.1802  0.0022 -3.1250 3  348.6546 77  58516 303381524      371423        C-13-H3C-13-H2C-13-N
  972777.3874  0.0024 -3.0681 3  319.5747 67  58516 303331617      321518        C-13-H3C-13-H2C-13-N
  972777.3874  0.0024 -3.0681 3  319.5747 67  58516 303331618      321517        C-13-H3C-13-H2C-13-N
  972825.5960  0.0398 -4.5762 3 1900.7791227  58516 303B310A4      B210A3        C-13-H3C-13-H2C-13-N
  973346.0756  0.0731 -4.6462 3 1948.7525241  58516 303C0 0C0      B9 0B9        C-13-H3C-13-H2C-13-N
  973346.0756  0.0731 -4.6462 3 1948.7525241  58516 303C0 1C0      B9 1B9        C-13-H3C-13-H2C-13-N
  973721.6265  0.0529 -5.3052 3 1458.3398199  58516 30399 991      98 890        C-13-H3C-13-H2C-13-N
  973749.3754  0.0430 -4.6392 3 1930.7845227  58516 303B312A2      B212A1        C-13-H3C-13-H2C-13-N
  973913.9287  0.0039 -5.0188 3  402.5796105  58516 30352 746      51 547        C-13-H3C-13-H2C-13-N
  974299.1469  0.0456 -4.6479 3 1943.8041235  58516 303B7 5B3      B6 5B2        C-13-H3C-13-H2C-13-N
  974299.2861  0.0456 -4.6479 3 1943.8041235  58516 303B7 4B3      B6 4B2        C-13-H3C-13-H2C-13-N
  974438.3038  0.0428 -4.6054 3 1915.2182227  58516 303B311A3      B211A2        C-13-H3C-13-H2C-13-N
  974446.4761  0.0051 -5.0690 3  440.2515111  58516 30355 650      54 451        C-13-H3C-13-H2C-13-N
  974572.2132  0.0437 -4.5022 3 1864.4989225  58516 303B2 9A3      B1 9A2        C-13-H3C-13-H2C-13-N
  974630.6078  0.0064 -4.1029 3  808.4335147  58516 30373 965      72 864        C-13-H3C-13-H2C-13-N
  974693.2136  0.0021 -3.5670 3  568.5368119  58516 303591149      581048        C-13-H3C-13-H2C-13-N
  974696.4429  0.0021 -3.5670 3  568.5367119  58516 303591148      581049        C-13-H3C-13-H2C-13-N
  974813.3905  0.0097 -4.3898 3  638.3716133  58516 30366 660      65 561        C-13-H3C-13-H2C-13-N
  975216.5632  0.0508 -4.6384 3 1931.0557227  58516 303B312A1      B212A0        C-13-H3C-13-H2C-13-N
  975415.1576  0.0523 -5.2607 3 1429.7619197  58516 30398 990      97 889        C-13-H3C-13-H2C-13-N
  976007.0703  0.0502 -4.6653 3 1954.8168237  58516 303B8 4B5      B7 4B4        C-13-H3C-13-H2C-13-N
  976007.0751  0.0502 -4.6653 3 1954.8168237  58516 303B8 3B5      B7 3B4        C-13-H3C-13-H2C-13-N
  976219.2636  0.0402 -4.6063 3 1918.6173229  58516 303B4 9A6      B3 9A5        C-13-H3C-13-H2C-13-N
  976282.3607  0.0047 -4.0180 3  766.4815143  58516 30371 962      70 863        C-13-H3C-13-H2C-13-N
  976376.5218  0.0027 -3.7663 3  661.3209131  58516 303651056      64 955        C-13-H3C-13-H2C-13-N
  976507.6416  0.0071 -5.1981 3  415.9554109  58516 30354 550      53 351        C-13-H3C-13-H2C-13-N
  976692.1360  0.0027 -3.7661 3  661.3113131  58516 303651055      64 956        C-13-H3C-13-H2C-13-N
  977086.4217  0.0036 -5.4705 3  457.3435103  58516 303511240      511041        C-13-H3C-13-H2C-13-N
  977086.6755  0.0036 -5.4705 3  457.3435103  58516 303511239      511042        C-13-H3C-13-H2C-13-N
  977279.3664  0.0093 -4.4572 3  538.6054123  58516 30361 556      60 457        C-13-H3C-13-H2C-13-N
  977368.1151  0.0520 -5.0965 3 2149.5044229  58516 303B42094      B32093        C-13-H3C-13-H2C-13-N
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  980954.2314  0.0022 -3.2130 3  398.7994 89  58516 303441431      431330        C-13-H3C-13-H2C-13-N
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  981427.1977  0.0022 -3.1359 3  359.6281 79  58516 303391525      381424        C-13-H3C-13-H2C-13-N
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  985157.3427  0.0172 -3.8126 3  491.7960 61  58516 3033023 8      3022 9        C-13-H3C-13-H2C-13-N
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  985273.7448  0.0171 -3.7858 3  500.7735 63  58516 3033123 9      312210        C-13-H3C-13-H2C-13-N
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  985393.4330  0.0170 -3.7648 3  510.0399 65  58516 303322310      322211        C-13-H3C-13-H2C-13-N
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  985516.3636  0.0170 -3.7484 3  519.5953 67  58516 303332311      332212        C-13-H3C-13-H2C-13-N
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  985642.4921  0.0169 -3.7359 3  529.4395 69  58516 303342311      342212        C-13-H3C-13-H2C-13-N
  985642.4921  0.0169 -3.7359 3  529.4395 69  58516 303342312      342213        C-13-H3C-13-H2C-13-N
  985648.2503  0.0031 -5.0964 3  288.0784 87  58516 30343 835      42 636        C-13-H3C-13-H2C-13-N
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  985654.0971  0.0657 -4.7378 3 1997.3011241  58516 303C0 2B8      B9 2B7        C-13-H3C-13-H2C-13-N
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  985721.4335  0.0597 -5.1533 3 2182.1059231  58516 303B52096      B42095        C-13-H3C-13-H2C-13-N
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  985755.1997  0.0637 -5.2180 3 2212.5179231  58516 303B52195      B42194        C-13-H3C-13-H2C-13-N
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  985768.2737  0.0567 -5.0917 3 2153.2021231  58516 303B51996      B41995        C-13-H3C-13-H2C-13-N
  985771.7725  0.0169 -3.7269 3  539.5725 71  58516 303352312      352213        C-13-H3C-13-H2C-13-N
  985771.7725  0.0169 -3.7269 3  539.5725 71  58516 303352313      352214        C-13-H3C-13-H2C-13-N
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  985857.1402  0.0687 -5.2858 3 2244.4186231  58516 303B52294      B42293        C-13-H3C-13-H2C-13-N
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  985904.1578  0.0168 -3.7208 3  549.9943 73  58516 303362314      362215        C-13-H3C-13-H2C-13-N
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  986319.4563  0.0167 -3.7171 3  582.9915 79  58516 303392317      392218        C-13-H3C-13-H2C-13-N
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  986913.6093  0.0166 -3.7390 3  631.0261 87  58516 303432321      432222        C-13-H3C-13-H2C-13-N
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  987069.0086  0.0166 -3.7483 3  643.7554 89  58516 303442322      442223        C-13-H3C-13-H2C-13-N
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  991849.2250  0.0176 -4.3563 3 1075.5724141  58516 303702347      702248        C-13-H3C-13-H2C-13-N
  991849.2250  0.0176 -4.3563 3 1075.5724141  58516 303702348      702249        C-13-H3C-13-H2C-13-N
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  992052.9486  0.0177 -4.3910 3 1096.0468143  58516 303712349      712250        C-13-H3C-13-H2C-13-N
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  992257.4608  0.0178 -4.4264 3 1116.8066145  58516 303722350      722251        C-13-H3C-13-H2C-13-N
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  992462.6841  0.0180 -4.4626 3 1137.8515147  58516 303732351      732252        C-13-H3C-13-H2C-13-N
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 1036499.1411  0.2149 -5.1221 3 2215.8701257  58516 303C8 1C8      C7 1C7        C-13-H3C-13-H2C-13-N
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 1036887.8209  0.1215 -5.2818 3 2277.4461243  58516 303C116A5      C016A4        C-13-H3C-13-H2C-13-N
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 1037953.7181  0.0338 -5.0813 3 1495.5490175  58516 303872464      872365        C-13-H3C-13-H2C-13-N
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 1064425.9290  0.2443 -5.3483 3 2337.9159261  58516 303D0 3C8      C9 3C7        C-13-H3C-13-H2C-13-N
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 1065143.9751  0.1806 -5.2666 3 2287.9779249  58516 303C411B4      C311B3        C-13-H3C-13-H2C-13-N
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 1067025.9009  0.1899 -5.3547 3 2338.2365257  58516 303C8 6C3      C7 6C2        C-13-H3C-13-H2C-13-N
 1067026.2011  0.1899 -5.3547 3 2338.2365257  58516 303C8 5C3      C7 5C2        C-13-H3C-13-H2C-13-N
 1067248.6540  0.0024 -3.3920 3  538.7741109  58516 303541441      531340        C-13-H3C-13-H2C-13-N
 1067248.6541  0.0024 -3.3920 3  538.7741109  58516 303541440      531341        C-13-H3C-13-H2C-13-N
 1067302.7576  0.0033 -3.0277 3  357.3588 59  58516 303291910      281811        C-13-H3C-13-H2C-13-N
 1067302.7576  0.0033 -3.0277 3  357.3588 59  58516 303291911      281810        C-13-H3C-13-H2C-13-N
 1067703.0512  0.0522 -4.6522 3  518.3226 51  58516 3032525 0      2524 1        C-13-H3C-13-H2C-13-N
 1067703.0512  0.0522 -4.6522 3  518.3226 51  58516 3032525 1      2524 2        C-13-H3C-13-H2C-13-N
 1067811.7655  0.0521 -4.3748 3  525.8611 53  58516 3032625 1      2624 2        C-13-H3C-13-H2C-13-N
 1067811.7655  0.0521 -4.3748 3  525.8611 53  58516 3032625 2      2624 3        C-13-H3C-13-H2C-13-N
 1067924.3907  0.0520 -4.2225 3  533.6891 55  58516 3032725 2      2724 3        C-13-H3C-13-H2C-13-N
 1067924.3907  0.0520 -4.2225 3  533.6891 55  58516 3032725 3      2724 4        C-13-H3C-13-H2C-13-N
 1067971.5589  0.3442 -5.3751 3 2355.7411265  58516 303D2 0D2      D1 0D1        C-13-H3C-13-H2C-13-N
 1067971.5589  0.3442 -5.3751 3 2355.7411265  58516 303D2 1D2      D1 1D1        C-13-H3C-13-H2C-13-N
 1068040.0682  0.1997 -5.1831 3 2247.6418247  58516 303C310B3      C210B2        C-13-H3C-13-H2C-13-N
 1068040.8968  0.0519 -4.1215 3  541.8065 57  58516 3032825 3      2824 4        C-13-H3C-13-H2C-13-N
 1068040.8968  0.0519 -4.1215 3  541.8065 57  58516 3032825 4      2824 5        C-13-H3C-13-H2C-13-N
 1068051.0444  0.0030 -3.0680 3  376.3821 69  58516 303341816      331717        C-13-H3C-13-H2C-13-N
 1068051.0444  0.0030 -3.0680 3  376.3821 69  58516 303341817      331716        C-13-H3C-13-H2C-13-N
 1068078.8361  0.0157 -4.4318 3  985.0973163  58516 30381 972      80 873        C-13-H3C-13-H2C-13-N
 1068138.9881  0.0219 -4.5575 3  829.3962151  58516 30375 768      74 669        C-13-H3C-13-H2C-13-N
 1068141.2544  0.0052 -5.1277 3  541.1642121  58516 30360 852      59 653        C-13-H3C-13-H2C-13-N
 1068161.2527  0.0518 -4.0488 3  550.2133 59  58516 3032925 4      2924 5        C-13-H3C-13-H2C-13-N
 1068161.2527  0.0518 -4.0488 3  550.2133 59  58516 3032925 5      2924 6        C-13-H3C-13-H2C-13-N
 1068207.4334  0.0024 -3.2836 3  485.2090 99  58516 303491534      481435        C-13-H3C-13-H2C-13-N
 1068207.4334  0.0024 -3.2836 3  485.2090 99  58516 303491535      481434        C-13-H3C-13-H2C-13-N
 1068285.4264  0.0517 -3.9940 3  558.9094 61  58516 3033025 5      3024 6        C-13-H3C-13-H2C-13-N
 1068285.4264  0.0517 -3.9940 3  558.9094 61  58516 3033025 6      3024 7        C-13-H3C-13-H2C-13-N
 1068413.3849  0.0516 -3.9518 3  567.8948 63  58516 3033125 6      3124 7        C-13-H3C-13-H2C-13-N
 1068413.3849  0.0516 -3.9518 3  567.8948 63  58516 3033125 7      3124 8        C-13-H3C-13-H2C-13-N
 1068491.3721  0.0027 -3.1229 3  404.0278 79  58516 303391722      381623        C-13-H3C-13-H2C-13-N
 1068491.3721  0.0027 -3.1229 3  404.0278 79  58516 303391723      381622        C-13-H3C-13-H2C-13-N
 1068545.0940  0.0516 -3.9188 3  577.1694 65  58516 3033225 7      3224 8        C-13-H3C-13-H2C-13-N
 1068545.0940  0.0516 -3.9188 3  577.1694 65  58516 3033225 8      3224 9        C-13-H3C-13-H2C-13-N
 1068572.1347  0.0025 -3.1943 3  440.3001 89  58516 303441628      431529        C-13-H3C-13-H2C-13-N
 1068572.1347  0.0025 -3.1943 3  440.3001 89  58516 303441629      431528        C-13-H3C-13-H2C-13-N
 1068680.5189  0.0515 -3.8929 3  586.7332 67  58516 3033325 8      3324 9        C-13-H3C-13-H2C-13-N
 1068680.5189  0.0515 -3.8929 3  586.7332 67  58516 3033325 9      332410        C-13-H3C-13-H2C-13-N
 1068734.1725  0.2113 -5.3766 3 2351.1390259  58516 303C9 5C5      C8 5C4        C-13-H3C-13-H2C-13-N
 1068734.1851  0.2113 -5.3766 3 2351.1390259  58516 303C9 4C5      C8 4C4        C-13-H3C-13-H2C-13-N
 1068819.6236  0.0514 -3.8728 3  596.5860 69  58516 3033425 9      342410        C-13-H3C-13-H2C-13-N
 1068819.6236  0.0514 -3.8728 3  596.5860 69  58516 303342510      342411        C-13-H3C-13-H2C-13-N
 1068886.5211  0.1777 -5.3014 3 2307.9053251  58516 303C510B6      C410B5        C-13-H3C-13-H2C-13-N
 1068962.3713  0.0514 -3.8574 3  606.7279 71  58516 303352510      352411        C-13-H3C-13-H2C-13-N
 1068962.3713  0.0514 -3.8574 3  606.7279 71  58516 303352511      352412        C-13-H3C-13-H2C-13-N
 1069108.7240  0.0513 -3.8460 3  617.1588 73  58516 303362511      362412        C-13-H3C-13-H2C-13-N
 1069108.7240  0.0513 -3.8460 3  617.1588 73  58516 303362512      362413        C-13-H3C-13-H2C-13-N
 1069258.6431  0.0513 -3.8380 3  627.8786 75  58516 303372512      372413        C-13-H3C-13-H2C-13-N
 1069258.6431  0.0513 -3.8380 3  627.8786 75  58516 303372513      372414        C-13-H3C-13-H2C-13-N
 1069352.6880  0.0119 -4.6381 3  511.4020121  58516 30360 456      59 357        C-13-H3C-13-H2C-13-N
 1069412.0889  0.0512 -3.8330 3  638.8871 77  58516 303382513      382414        C-13-H3C-13-H2C-13-N
 1069412.0889  0.0512 -3.8330 3  638.8871 77  58516 303382514      382415        C-13-H3C-13-H2C-13-N
 1069559.9834  0.0055 -5.1364 3  558.7931123  58516 30361 853      60 654        C-13-H3C-13-H2C-13-N
 1069569.0210  0.0512 -3.8306 3  650.1845 79  58516 303392514      392415        C-13-H3C-13-H2C-13-N
 1069569.0210  0.0512 -3.8306 3  650.1845 79  58516 303392515      392416        C-13-H3C-13-H2C-13-N
 1069626.1283  0.0119 -5.3579 3  511.3929121  58516 30360 456      59 257        C-13-H3C-13-H2C-13-N
 1069729.3979  0.0511 -3.8306 3  661.7705 81  58516 303402515      402416        C-13-H3C-13-H2C-13-N
 1069729.3979  0.0511 -3.8306 3  661.7705 81  58516 303402516      402417        C-13-H3C-13-H2C-13-N
 1069796.5404  0.2559 -5.2023 3 2257.4042247  58516 303C311B2      C211B1        C-13-H3C-13-H2C-13-N
 1069893.1773  0.0511 -3.8327 3  673.6451 83  58516 303412516      412417        C-13-H3C-13-H2C-13-N
 1069893.1773  0.0511 -3.8327 3  673.6451 83  58516 303412517      412418        C-13-H3C-13-H2C-13-N
 1070060.3162  0.0510 -3.8367 3  685.8083 85  58516 303422517      422418        C-13-H3C-13-H2C-13-N
 1070060.3162  0.0510 -3.8367 3  685.8083 85  58516 303422518      422419        C-13-H3C-13-H2C-13-N
 1070087.8996  0.0051 -4.6166 3  479.0897115  58516 30357 751      56 452        C-13-H3C-13-H2C-13-N
 1070230.7706  0.0510 -3.8425 3  698.2599 87  58516 303432518      432419        C-13-H3C-13-H2C-13-N
 1070230.7706  0.0510 -3.8425 3  698.2599 87  58516 303432519      432420        C-13-H3C-13-H2C-13-N
 1070404.4957  0.0510 -3.8500 3  710.9998 89  58516 303442519      442420        C-13-H3C-13-H2C-13-N
 1070404.4957  0.0510 -3.8500 3  710.9998 89  58516 303442520      442421        C-13-H3C-13-H2C-13-N
 1070421.1086  0.0028 -5.3818 3  181.9447 63  58516 303311021      30 822        C-13-H3C-13-H2C-13-N
 1070421.1365  0.0028 -5.3818 3  181.9447 63  58516 303311022      30 823        C-13-H3C-13-H2C-13-N
 1070541.4554  0.1761 -5.3357 3 2326.7278253  58516 303C6 9B8      C5 9B7        C-13-H3C-13-H2C-13-N
 1070556.5869  0.0059 -4.1804 3  906.0420155  58516 303771067      76 968        C-13-H3C-13-H2C-13-N
 1070560.5811  0.0028 -3.7017 3  690.5193131  58516 303651254      641153        C-13-H3C-13-H2C-13-N
 1070561.7081  0.0028 -3.7017 3  690.5192131  58516 303651253      641154        C-13-H3C-13-H2C-13-N
 1070581.4459  0.0509 -3.8591 3  724.0281 91  58516 303452520      452421        C-13-H3C-13-H2C-13-N
 1070581.4459  0.0509 -3.8591 3  724.0281 91  58516 303452521      452422        C-13-H3C-13-H2C-13-N
 1070672.5515  0.0058 -5.1450 3  576.7259125  58516 30362 854      61 655        C-13-H3C-13-H2C-13-N
 1070761.5749  0.0509 -3.8696 3  737.3445 93  58516 303462521      462422        C-13-H3C-13-H2C-13-N
 1070761.5749  0.0509 -3.8696 3  737.3445 93  58516 303462522      462423        C-13-H3C-13-H2C-13-N
 1070821.1830  0.0173 -5.2505 3  807.2786149  58516 30374 767      73 568        C-13-H3C-13-H2C-13-N
 1070944.8354  0.0509 -3.8815 3  750.9491 95  58516 303472522      472423        C-13-H3C-13-H2C-13-N
 1070944.8354  0.0509 -3.8815 3  750.9491 95  58516 303472523      472424        C-13-H3C-13-H2C-13-N
 1071063.8976  0.0037 -5.0769 3  441.1479109  58516 30354 847      53 648        C-13-H3C-13-H2C-13-N
 1071127.1751  0.1760 -5.3349 3 2326.5861253  58516 303C6 8B8      C5 8B7        C-13-H3C-13-H2C-13-N
 1071131.1796  0.0509 -3.8947 3  764.8417 97  58516 303482523      482424        C-13-H3C-13-H2C-13-N
 1071131.1796  0.0509 -3.8947 3  764.8417 97  58516 303482524      482425        C-13-H3C-13-H2C-13-N
 1071320.5589  0.0509 -3.9091 3  779.0222 99  58516 303492524      492425        C-13-H3C-13-H2C-13-N
 1071320.5589  0.0509 -3.9091 3  779.0222 99  58516 303492525      492426        C-13-H3C-13-H2C-13-N
 1071512.9237  0.0509 -3.9248 3  793.4906101  58516 303502525      502426        C-13-H3C-13-H2C-13-N
 1071512.9237  0.0509 -3.9248 3  793.4906101  58516 303502526      502427        C-13-H3C-13-H2C-13-N
 1071538.9219  0.0060 -5.1535 3  594.9611127  58516 30363 855      62 656        C-13-H3C-13-H2C-13-N
 1071708.2240  0.0509 -3.9416 3  808.2467103  58516 303512526      512427        C-13-H3C-13-H2C-13-N
 1071708.2240  0.0509 -3.9416 3  808.2467103  58516 303512527      512428        C-13-H3C-13-H2C-13-N
 1071807.8047  0.1815 -5.3669 3 2343.9384255  58516 303C7 8C0      C6 8B9        C-13-H3C-13-H2C-13-N
 1071867.8672  0.1815 -5.3668 3 2343.9253255  58516 303C7 7C0      C6 7B9        C-13-H3C-13-H2C-13-N
 1071906.4089  0.0509 -3.9595 3  823.2905105  58516 303522527      522428        C-13-H3C-13-H2C-13-N
 1071906.4089  0.0509 -3.9595 3  823.2905105  58516 303522528      522429        C-13-H3C-13-H2C-13-N
 1071958.5324  0.0066 -4.2244 3  928.5080157  58516 303781069      77 968        C-13-H3C-13-H2C-13-N
 1072046.1052  0.0030 -5.1530 3  285.3366 85  58516 30342 933      41 734        C-13-H3C-13-H2C-13-N
 1072107.4269  0.0509 -3.9784 3  838.6219107  58516 303532528      532429        C-13-H3C-13-H2C-13-N
 1072107.4269  0.0509 -3.9784 3  838.6219107  58516 303532529      532430        C-13-H3C-13-H2C-13-N
 1072117.9680  0.2675 -5.2969 3 2304.9742249  58516 303C412B2      C312B1        C-13-H3C-13-H2C-13-N
 1072130.8128  0.0030 -5.1530 3  285.3337 85  58516 30342 934      41 735        C-13-H3C-13-H2C-13-N
 1072228.7221  0.0063 -5.1618 3  613.4970129  58516 30364 856      63 657        C-13-H3C-13-H2C-13-N
 1072311.2258  0.0509 -3.9984 3  854.2407109  58516 303542529      542430        C-13-H3C-13-H2C-13-N
 1072311.2258  0.0509 -3.9984 3  854.2407109  58516 303542530      542431        C-13-H3C-13-H2C-13-N
 1072517.7528  0.0509 -4.0193 3  870.1468111  58516 303552530      552431        C-13-H3C-13-H2C-13-N
 1072517.7528  0.0509 -4.0193 3  870.1468111  58516 303552531      552432        C-13-H3C-13-H2C-13-N
 1072579.8012  0.1806 -5.2962 3 2306.8360251  58516 303C5 9B6      C4 9B5        C-13-H3C-13-H2C-13-N
 1072583.9005  0.0037 -3.9180 3  792.1015143  58516 303711161      701060        C-13-H3C-13-H2C-13-N
 1072698.2158  0.0038 -3.9179 3  792.0980143  58516 303711160      701061        C-13-H3C-13-H2C-13-N
 1072726.9544  0.0509 -4.0413 3  886.3403113  58516 303562531      562432        C-13-H3C-13-H2C-13-N
 1072726.9544  0.0509 -4.0413 3  886.3403113  58516 303562532      562433        C-13-H3C-13-H2C-13-N
 1072820.2781  0.0066 -5.1700 3  632.3316131  58516 30365 857      64 658        C-13-H3C-13-H2C-13-N
 1072938.7764  0.0509 -4.0642 3  902.8208115  58516 303572532      572433        C-13-H3C-13-H2C-13-N
 1072938.7764  0.0509 -4.0642 3  902.8208115  58516 303572533      572434        C-13-H3C-13-H2C-13-N
 1073153.1640  0.0509 -4.0880 3  919.5884117  58516 303582533      582434        C-13-H3C-13-H2C-13-N
 1073153.1640  0.0509 -4.0880 3  919.5884117  58516 303582534      582435        C-13-H3C-13-H2C-13-N
 1073239.6098  0.2017 -5.3308 3 2323.5073251  58516 303C511B5      C411B4        C-13-H3C-13-H2C-13-N
 1073370.0620  0.0509 -4.1127 3  936.6430119  58516 303592534      592435        C-13-H3C-13-H2C-13-N
 1073370.0620  0.0509 -4.1127 3  936.6430119  58516 303592535      592436        C-13-H3C-13-H2C-13-N
 1073399.6159  0.0070 -5.1779 3  651.4627133  58516 30366 858      65 659        C-13-H3C-13-H2C-13-N
 1073589.4144  0.0510 -4.1383 3  953.9844121  58516 303602535      602436        C-13-H3C-13-H2C-13-N
 1073589.4144  0.0510 -4.1383 3  953.9844121  58516 303602536      602437        C-13-H3C-13-H2C-13-N
 1073811.1648  0.0510 -4.1648 3  971.6125123  58516 303612536      612437        C-13-H3C-13-H2C-13-N
 1073811.1648  0.0510 -4.1648 3  971.6125123  58516 303612537      612438        C-13-H3C-13-H2C-13-N
 1073919.4814  0.0025 -3.5463 3  618.0543121  58516 303601348      591247        C-13-H3C-13-H2C-13-N
 1073919.4888  0.0025 -3.5463 3  618.0543121  58516 303601347      591248        C-13-H3C-13-H2C-13-N
 1074035.2561  0.0510 -4.1922 3  989.5272125  58516 303622537      622438        C-13-H3C-13-H2C-13-N
 1074035.2561  0.0510 -4.1922 3  989.5272125  58516 303622538      622439        C-13-H3C-13-H2C-13-N
 1074059.4847  0.0073 -5.1858 3  670.8878135  58516 30367 859      66 660        C-13-H3C-13-H2C-13-N
 1074102.2557  0.0345 -5.1829 3  395.3329109  58516 30354 252      53 153        C-13-H3C-13-H2C-13-N
 1074261.6307  0.0511 -4.2203 3 1007.7283127  58516 303632538      632439        C-13-H3C-13-H2C-13-N
 1074261.6307  0.0511 -4.2203 3 1007.7283127  58516 303632539      632440        C-13-H3C-13-H2C-13-N
 1074456.8280  0.0074 -5.2005 3  538.6054123  58516 30361 656      60 457        C-13-H3C-13-H2C-13-N
 1074477.5828  0.0049 -5.1221 3  547.9516123  58516 30361 755      60 556        C-13-H3C-13-H2C-13-N
 1074490.2306  0.0511 -4.2493 3 1026.2159129  58516 303642539      642440        C-13-H3C-13-H2C-13-N
 1074490.2306  0.0511 -4.2493 3 1026.2159129  58516 303642540      642441        C-13-H3C-13-H2C-13-N
 1074651.6561  0.2183 -5.3627 3 2339.1386251  58516 303C512B4      C412B3        C-13-H3C-13-H2C-13-N
 1074712.6335  0.0046 -5.2775 3  237.6228 81  58516 30340 733      39 436        C-13-H3C-13-H2C-13-N
 1074720.9971  0.0512 -4.2791 3 1044.9897131  58516 303652540      652441        C-13-H3C-13-H2C-13-N
 1074720.9971  0.0512 -4.2791 3 1044.9897131  58516 303652541      652442        C-13-H3C-13-H2C-13-N
 1074876.6828  0.0344 -5.1824 3  395.3329109  58516 30354 352      53 053        C-13-H3C-13-H2C-13-N
 1074898.4155  0.0077 -5.1938 3  690.6047137  58516 30368 860      67 661        C-13-H3C-13-H2C-13-N
 1074953.8711  0.0512 -4.3098 3 1064.0496133  58516 303662541      662442        C-13-H3C-13-H2C-13-N
 1074953.8711  0.0512 -4.3098 3 1064.0496133  58516 303662542      662443        C-13-H3C-13-H2C-13-N
 1075025.4305  0.0037 -3.0051 3  353.9020 51  58516 3032520 5      2419 6        C-13-H3C-13-H2C-13-N
 1075025.4305  0.0037 -3.0051 3  353.9020 51  58516 3032520 6      2419 5        C-13-H3C-13-H2C-13-N
 1075188.7932  0.0513 -4.3412 3 1083.3955135  58516 303672542      672443        C-13-H3C-13-H2C-13-N
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 1076580.2837  0.0051 -4.5988 3  495.6898117  58516 30358 752      57 453        C-13-H3C-13-H2C-13-N
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 1161382.8625  0.1226 -4.8772 3 1411.1276159  58516 303792753      792654        C-13-H3C-13-H2C-13-N
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 1162559.7434  0.0030 -3.0909 3  439.2387 71  58516 303352015      341916        C-13-H3C-13-H2C-13-N
 1162559.7434  0.0030 -3.0909 3  439.2387 71  58516 303352016      341915        C-13-H3C-13-H2C-13-N
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 1162582.4380  0.1228 -5.0448 3 1505.1116167  58516 303832757      832658        C-13-H3C-13-H2C-13-N
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 1231770.1119  0.2569 -4.3159 3  737.5292 67  58516 3033329 5      3328 6        C-13-H3C-13-H2C-13-N
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 1243510.3474  0.0313 -3.0645 3  476.8436 51  58516 3032524 2      2423 1        C-13-H3C-13-H2C-13-N
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 1280314.5557  0.3560 -4.6632 3 1296.1564137  58516 303683038      682939        C-13-H3C-13-H2C-13-N
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 1280628.0976  0.3560 -4.6953 3 1316.1190139  58516 303693039      692940        C-13-H3C-13-H2C-13-N
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 1282581.1818  0.3556 -4.9048 3 1441.8972151  58516 303753046      752947        C-13-H3C-13-H2C-13-N
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 1282918.2821  0.3556 -4.9424 3 1463.8593153  58516 303763047      762948        C-13-H3C-13-H2C-13-N
 1283258.5811  0.3555 -4.9808 3 1486.1064155  58516 303773047      772948        C-13-H3C-13-H2C-13-N
 1283258.5811  0.3555 -4.9808 3 1486.1064155  58516 303773048      772949        C-13-H3C-13-H2C-13-N
 1283354.4893  0.0205 -4.8986 3  672.7971139  58516 30369 565      68 266        C-13-H3C-13-H2C-13-N
 1283602.0363  0.3555 -5.0199 3 1508.6385157  58516 303783048      782949        C-13-H3C-13-H2C-13-N
 1283602.0363  0.3555 -5.0199 3 1508.6385157  58516 303783049      782950        C-13-H3C-13-H2C-13-N
 1283634.1888  0.0312 -5.1205 3 1447.1578197  58516 303981187      971088        C-13-H3C-13-H2C-13-N
 1283933.4265  0.0116 -4.7596 3 1298.1141185  58516 303921281      911180        C-13-H3C-13-H2C-13-N
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 1283948.6054  0.3554 -5.0597 3 1531.4553159  58516 303793050      792951        C-13-H3C-13-H2C-13-N
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 1284298.2455  0.3554 -5.1003 3 1554.5567161  58516 303803050      802951        C-13-H3C-13-H2C-13-N
 1284298.2455  0.3554 -5.1003 3 1554.5567161  58516 303803051      802952        C-13-H3C-13-H2C-13-N
 1284575.5560  0.0041 -3.7910 3  844.1219139  58516 303691653      681554        C-13-H3C-13-H2C-13-N
 1284575.5560  0.0041 -3.7910 3  844.1219139  58516 303691654      681553        C-13-H3C-13-H2C-13-N
 1284650.9138  0.3553 -5.1416 3 1577.9425163  58516 303813051      812952        C-13-H3C-13-H2C-13-N
 1284650.9138  0.3553 -5.1416 3 1577.9425163  58516 303813052      812953        C-13-H3C-13-H2C-13-N
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 1285006.5671  0.3553 -5.1837 3 1601.6126165  58516 303823053      822954        C-13-H3C-13-H2C-13-N
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 1285157.5455  0.0031 -3.3104 3  607.1710 99  58516 303492029      481930        C-13-H3C-13-H2C-13-N
 1285157.5455  0.0031 -3.3104 3  607.1710 99  58516 303492030      481929        C-13-H3C-13-H2C-13-N
 1285365.1623  0.3553 -5.2264 3 1625.5668167  58516 303833053      832954        C-13-H3C-13-H2C-13-N
 1285365.1623  0.3553 -5.2264 3 1625.5668167  58516 303833054      832955        C-13-H3C-13-H2C-13-N
 1285369.4237  0.0116 -4.7587 3 1298.0713185  58516 303921280      911181        C-13-H3C-13-H2C-13-N
 1285698.8008  0.0038 -3.6424 3  771.9766129  58516 303641747      631648        C-13-H3C-13-H2C-13-N
 1285698.8008  0.0038 -3.6424 3  771.9766129  58516 303641748      631647        C-13-H3C-13-H2C-13-N
 1285810.0681  0.0100 -4.8200 3  786.1626147  58516 30373 866      72 567        C-13-H3C-13-H2C-13-N
 1285853.6163  0.0034 -3.4029 3  653.5184109  58516 303541935      531836        C-13-H3C-13-H2C-13-N
 1285853.6163  0.0034 -3.4029 3  653.5184109  58516 303541936      531835        C-13-H3C-13-H2C-13-N
 1286069.0436  0.0036 -3.5133 3  708.4495119  58516 303591841      581742        C-13-H3C-13-H2C-13-N
 1286069.0436  0.0036 -3.5133 3  708.4495119  58516 303591842      581741        C-13-H3C-13-H2C-13-N
 1286809.7414  0.0033 -5.2204 3  359.2341 93  58516 303461135      45 936        C-13-H3C-13-H2C-13-N
 1286810.4216  0.0033 -5.2204 3  359.2341 93  58516 303461136      45 937        C-13-H3C-13-H2C-13-N
 1287027.8166  0.0058 -4.1910 3 1037.2028161  58516 303801467      791366        C-13-H3C-13-H2C-13-N
 1287028.1459  0.0058 -4.1910 3 1037.2028161  58516 303801466      791367        C-13-H3C-13-H2C-13-N
 1287434.7253  0.0309 -3.1123 3  515.9652 61  58516 3033024 6      2923 7        C-13-H3C-13-H2C-13-N
 1287434.7253  0.0309 -3.1123 3  515.9652 61  58516 3033024 7      2923 6        C-13-H3C-13-H2C-13-N
 1287760.6796  0.0193 -4.8229 3  744.1862145  58516 30372 667      71 368        C-13-H3C-13-H2C-13-N
 1287918.7220  0.0277 -4.9205 3  883.0231157  58516 30378 672      77 573        C-13-H3C-13-H2C-13-N
 1288635.2325  0.0078 -4.4548 3 1161.5016173  58516 303861374      851273        C-13-H3C-13-H2C-13-N
 1288665.3420  0.0078 -4.4548 3 1161.5006173  58516 303861373      851274        C-13-H3C-13-H2C-13-N
 1289511.7733  0.0037 -5.2158 3  525.5233117  58516 303581048      57 849        C-13-H3C-13-H2C-13-N
 1289552.7298  0.0169 -3.1449 3  529.4395 71  58516 303352312      342213        C-13-H3C-13-H2C-13-N
 1289552.7298  0.0169 -3.1449 3  529.4395 71  58516 303352313      342212        C-13-H3C-13-H2C-13-N
 1290101.8331  0.0037 -5.2154 3  525.5035117  58516 303581049      57 850        C-13-H3C-13-H2C-13-N
 1290294.1642  0.0071 -5.1545 3  471.9495115  58516 30357 750      56 453        C-13-H3C-13-H2C-13-N
 1290349.7410  0.0054 -5.1969 3  387.8265103  58516 30351 843      50 546        C-13-H3C-13-H2C-13-N
 1290862.4245  0.0048 -3.9962 3  946.2394151  58516 303751561      741460        C-13-H3C-13-H2C-13-N
 1290862.4271  0.0048 -3.9962 3  946.2394151  58516 303751560      741461        C-13-H3C-13-H2C-13-N
 1291123.3792  0.0124 -4.8093 3 1324.6537187  58516 303931282      921181        C-13-H3C-13-H2C-13-N
 1291355.6549  0.0083 -3.1912 3  551.4927 81  58516 303402218      392119        C-13-H3C-13-H2C-13-N
 1291355.6549  0.0083 -3.1912 3  551.4927 81  58516 303402219      392118        C-13-H3C-13-H2C-13-N
 1292345.1742  0.0359 -5.1769 3 1475.4382199  58516 303991188      981089        C-13-H3C-13-H2C-13-N
 1292818.8586  0.0040 -3.2528 3  582.1217 91  58516 303452124      442025        C-13-H3C-13-H2C-13-N
 1292818.8586  0.0040 -3.2528 3  582.1217 91  58516 303452125      442024        C-13-H3C-13-H2C-13-N
 1292893.1790  0.0123 -4.8083 3 1324.6011187  58516 303931281      921182        C-13-H3C-13-H2C-13-N
 1293128.3052  0.0042 -3.8238 3  864.0035141  58516 303701654      691555        C-13-H3C-13-H2C-13-N
 1293128.3052  0.0042 -3.8238 3  864.0035141  58516 303701655      691554        C-13-H3C-13-H2C-13-N
 1293809.6429  0.0519 -3.1001 3  518.3226 53  58516 3032625 1      2524 2        C-13-H3C-13-H2C-13-N
 1293809.6429  0.0519 -3.1001 3  518.3226 53  58516 3032625 2      2524 1        C-13-H3C-13-H2C-13-N
 1293908.8055  0.0032 -3.3309 3  621.3256101  58516 303502030      491931        C-13-H3C-13-H2C-13-N
 1293908.8055  0.0032 -3.3309 3  621.3256101  58516 303502031      491930        C-13-H3C-13-H2C-13-N
 1294329.2899  0.0038 -3.6720 3  790.4267131  58516 303651748      641649        C-13-H3C-13-H2C-13-N
 1294329.2899  0.0038 -3.6720 3  790.4267131  58516 303651749      641648        C-13-H3C-13-H2C-13-N
 1294577.6425  0.0035 -3.4263 3  669.1059111  58516 303551936      541837        C-13-H3C-13-H2C-13-N
 1294577.6425  0.0035 -3.4263 3  669.1059111  58516 303551937      541836        C-13-H3C-13-H2C-13-N
 1294754.2794  0.0037 -3.5398 3  725.4686121  58516 303601842      591743        C-13-H3C-13-H2C-13-N
 1294754.2794  0.0037 -3.5398 3  725.4686121  58516 303601843      591742        C-13-H3C-13-H2C-13-N
 1295126.4830  0.0033 -5.2181 3  372.5257 95  58516 303471136      46 937        C-13-H3C-13-H2C-13-N
 1295127.4834  0.0033 -5.2181 3  372.5256 95  58516 303471137      46 938        C-13-H3C-13-H2C-13-N
 1295280.2481  0.0060 -4.2312 3 1060.2428163  58516 303811468      801367        C-13-H3C-13-H2C-13-N
 1295280.6960  0.0060 -4.2312 3 1060.2427163  58516 303811467      801368        C-13-H3C-13-H2C-13-N
 1295322.8621  0.0105 -4.8306 3  807.2786149  58516 30374 867      73 568        C-13-H3C-13-H2C-13-N
 1296225.6693  0.0308 -3.1232 3  524.6574 63  58516 3033124 7      3023 8        C-13-H3C-13-H2C-13-N
 1296225.6693  0.0308 -3.1232 3  524.6574 63  58516 3033124 8      3023 7        C-13-H3C-13-H2C-13-N
 1296573.9344  0.0082 -4.4994 3 1186.2771175  58516 303871375      861274        C-13-H3C-13-H2C-13-N
 1296612.8581  0.0082 -4.4994 3 1186.2759175  58516 303871374      861275        C-13-H3C-13-H2C-13-N
 1296802.0789  0.0038 -5.2262 3  542.3207119  58516 303591049      58 850        C-13-H3C-13-H2C-13-N
 1296938.6797  0.0285 -5.0958 3  622.3754135  58516 30367 364      66 265        C-13-H3C-13-H2C-13-N
 1297564.5387  0.0038 -5.2258 3  542.2951119  58516 303591050      58 851        C-13-H3C-13-H2C-13-N
 1297793.6588  0.0284 -5.0953 3  622.3753135  58516 30367 464      66 165        C-13-H3C-13-H2C-13-N
 1298218.9321  0.0133 -4.8599 3 1351.4825189  58516 303941283      931182        C-13-H3C-13-H2C-13-N
 1298341.5559  0.0169 -3.1580 3  539.5725 73  58516 303362313      352214        C-13-H3C-13-H2C-13-N
 1298341.5559  0.0169 -3.1580 3  539.5725 73  58516 303362314      352213        C-13-H3C-13-H2C-13-N
 1298916.9167  0.0225 -4.9344 3  692.0791141  58516 30370 466      69 367        C-13-H3C-13-H2C-13-N
 1299170.0248  0.0055 -5.1845 3  402.5796105  58516 30352 844      51 547        C-13-H3C-13-H2C-13-N
 1299289.6454  0.0050 -4.0330 3  967.8407153  58516 303761562      751461        C-13-H3C-13-H2C-13-N
 1299289.6492  0.0050 -4.0330 3  967.8407153  58516 303761561      751462        C-13-H3C-13-H2C-13-N
 1299895.3484  0.0440 -5.0423 3 1032.9449169  58516 30384 777      83 678        C-13-H3C-13-H2C-13-N
 1300137.5753  0.0083 -3.2067 3  563.0642 83  58516 303412219      402120        C-13-H3C-13-H2C-13-N
 1300137.5753  0.0083 -3.2067 3  563.0642 83  58516 303412220      402119        C-13-H3C-13-H2C-13-N
 1300245.1918  0.0152 -4.8163 3  818.1332151  58516 30375 769      74 470        C-13-H3C-13-H2C-13-N
 1300392.6055  0.0130 -4.8586 3 1351.4181189  58516 303941282      931183        C-13-H3C-13-H2C-13-N
 1301588.1949  0.0040 -3.2710 3  595.1296 93  58516 303462125      452026        C-13-H3C-13-H2C-13-N
 1301588.1949  0.0040 -3.2710 3  595.1296 93  58516 303462126      452025        C-13-H3C-13-H2C-13-N
 1301671.9420  0.0043 -3.8573 3  884.1712143  58516 303711655      701556        C-13-H3C-13-H2C-13-N
 1301671.9420  0.0043 -3.8573 3  884.1712143  58516 303711656      701555        C-13-H3C-13-H2C-13-N
 1302600.9654  0.0518 -3.1097 3  525.8611 55  58516 3032725 2      2624 3        C-13-H3C-13-H2C-13-N
 1302600.9654  0.0518 -3.1097 3  525.8611 55  58516 3032725 3      2624 2        C-13-H3C-13-H2C-13-N
 1302658.5702  0.0032 -3.3520 3  635.7677103  58516 303512031      501932        C-13-H3C-13-H2C-13-N
 1302658.5702  0.0032 -3.3520 3  635.7677103  58516 303512032      501931        C-13-H3C-13-H2C-13-N
 1302761.5585  0.0628 -5.1717 3 1193.8831181  58516 30390 882      89 783        C-13-H3C-13-H2C-13-N
 1302953.3946  0.0039 -3.7023 3  809.1632133  58516 303661749      651650        C-13-H3C-13-H2C-13-N
 1302953.3946  0.0039 -3.7023 3  809.1632133  58516 303661750      651649        C-13-H3C-13-H2C-13-N
 1303298.9035  0.0035 -3.4504 3  684.9805113  58516 303561937      551838        C-13-H3C-13-H2C-13-N
 1303298.9035  0.0035 -3.4504 3  684.9805113  58516 303561938      551837        C-13-H3C-13-H2C-13-N
 1303412.7397  0.0033 -5.2169 3  386.1066 97  58516 303481137      47 938        C-13-H3C-13-H2C-13-N
 1303414.1976  0.0033 -5.2169 3  386.1066 97  58516 303481138      47 939        C-13-H3C-13-H2C-13-N
 1303435.1678  0.0037 -3.5669 3  742.7744123  58516 303611843      601744        C-13-H3C-13-H2C-13-N
 1303435.1678  0.0037 -3.5669 3  742.7744123  58516 303611844      601743        C-13-H3C-13-H2C-13-N
 1303513.2678  0.0063 -4.2721 3 1083.5687165  58516 303821469      811368        C-13-H3C-13-H2C-13-N
 1303513.8741  0.0063 -4.2721 3 1083.5687165  58516 303821468      811369        C-13-H3C-13-H2C-13-N
 1304456.2225  0.0220 -4.9320 3  692.0781141  58516 30370 566      69 267        C-13-H3C-13-H2C-13-N
 1304480.4695  0.0086 -4.5447 3 1211.3392177  58516 303881376      871275        C-13-H3C-13-H2C-13-N
 1304530.5967  0.0086 -4.5447 3 1211.3377177  58516 303881375      871276        C-13-H3C-13-H2C-13-N
 1305018.4219  0.0308 -3.1346 3  533.6387 65  58516 3033224 8      3123 9        C-13-H3C-13-H2C-13-N
 1305018.4219  0.0308 -3.1346 3  533.6387 65  58516 3033224 9      3123 8        C-13-H3C-13-H2C-13-N
 1305210.6790  0.0143 -4.9112 3 1378.6008191  58516 303951284      941183        C-13-H3C-13-H2C-13-N
 1305670.4058  0.0111 -4.8445 3  828.6542151  58516 30375 868      74 569        C-13-H3C-13-H2C-13-N
 1306337.4256  0.0244 -4.9003 3  785.0795149  58516 30374 569      73 470        C-13-H3C-13-H2C-13-N
 1307131.4956  0.0168 -3.1715 3  549.9943 75  58516 303372314      362215        C-13-H3C-13-H2C-13-N
 1307131.4956  0.0168 -3.1715 3  549.9943 75  58516 303372315      362214        C-13-H3C-13-H2C-13-N
 1307703.5229  0.0052 -4.0704 3  989.7278155  58516 303771563      761462        C-13-H3C-13-H2C-13-N
 1307703.5284  0.0052 -4.0704 3  989.7278155  58516 303771562      761463        C-13-H3C-13-H2C-13-N
 1307871.2528  0.0139 -4.9097 3 1378.5221191  58516 303951283      941184        C-13-H3C-13-H2C-13-N
 1308235.9534  0.0209 -4.8578 3  764.4944147  58516 30373 668      72 369        C-13-H3C-13-H2C-13-N
 1308261.9589  0.0056 -5.1741 3  417.6149107  58516 30353 845      52 548        C-13-H3C-13-H2C-13-N
 1308520.4609  0.0074 -5.1769 3  488.2065117  58516 30358 751      57 454        C-13-H3C-13-H2C-13-N
 1308919.8260  0.0083 -3.2229 3  574.9242 85  58516 303422220      412121        C-13-H3C-13-H2C-13-N
 1308919.8260  0.0083 -3.2229 3  574.9242 85  58516 303422221      412120        C-13-H3C-13-H2C-13-N
 1310206.1790  0.0045 -3.8914 3  904.6249145  58516 303721656      711557        C-13-H3C-13-H2C-13-N
 1310206.1790  0.0045 -3.8914 3  904.6249145  58516 303721657      711556        C-13-H3C-13-H2C-13-N
 1310356.9586  0.0040 -3.2899 3  608.4254 95  58516 303472126      462027        C-13-H3C-13-H2C-13-N
 1310356.9586  0.0040 -3.2899 3  608.4254 95  58516 303472127      462026        C-13-H3C-13-H2C-13-N
 1311257.1230  0.4872 -5.0714 3  802.1428 63  58516 3033131 0      3130 1        C-13-H3C-13-H2C-13-N
 1311257.1230  0.4872 -5.0714 3  802.1428 63  58516 3033131 1      3130 2        C-13-H3C-13-H2C-13-N
 1311394.6391  0.0518 -3.1198 3  533.6891 57  58516 3032825 3      2724 4        C-13-H3C-13-H2C-13-N
 1311394.6391  0.0518 -3.1198 3  533.6891 57  58516 3032825 4      2724 3        C-13-H3C-13-H2C-13-N
 1311406.6964  0.0032 -3.3738 3  650.4973105  58516 303522032      511933        C-13-H3C-13-H2C-13-N
 1311406.6964  0.0032 -3.3738 3  650.4973105  58516 303522033      511932        C-13-H3C-13-H2C-13-N
 1311421.5267  0.4871 -4.7962 3  811.4465 65  58516 3033231 1      3230 2        C-13-H3C-13-H2C-13-N
 1311421.5267  0.4871 -4.7962 3  811.4465 65  58516 3033231 2      3230 3        C-13-H3C-13-H2C-13-N
 1311570.8840  0.0040 -3.7332 3  828.1859135  58516 303671750      661651        C-13-H3C-13-H2C-13-N
 1311570.8840  0.0040 -3.7332 3  828.1859135  58516 303671751      661650        C-13-H3C-13-H2C-13-N
 1311590.8213  0.4870 -4.6462 3  821.0403 67  58516 3033331 2      3330 3        C-13-H3C-13-H2C-13-N
 1311590.8213  0.4870 -4.6462 3  821.0403 67  58516 3033331 3      3330 4        C-13-H3C-13-H2C-13-N
 1311666.9106  0.0034 -5.2170 3  399.9772 99  58516 303491138      48 939        C-13-H3C-13-H2C-13-N
 1311669.0168  0.0034 -5.2170 3  399.9771 99  58516 303491139      48 940        C-13-H3C-13-H2C-13-N
 1311726.3075  0.0066 -4.3137 3 1107.1806167  58516 303831470      821369        C-13-H3C-13-H2C-13-N
 1311727.1248  0.0066 -4.3137 3 1107.1806167  58516 303831469      821370        C-13-H3C-13-H2C-13-N
 1311764.9845  0.4870 -4.5478 3  830.9240 69  58516 3033431 3      3430 4        C-13-H3C-13-H2C-13-N
 1311764.9845  0.4870 -4.5478 3  830.9240 69  58516 3033431 4      3430 5        C-13-H3C-13-H2C-13-N
 1311943.9935  0.4869 -4.4776 3  841.0976 71  58516 3033531 4      3530 5        C-13-H3C-13-H2C-13-N
 1311943.9935  0.4869 -4.4776 3  841.0976 71  58516 3033531 5      3530 6        C-13-H3C-13-H2C-13-N
 1312017.2345  0.0035 -3.4752 3  701.1421115  58516 303571938      561839        C-13-H3C-13-H2C-13-N
 1312017.2345  0.0035 -3.4752 3  701.1421115  58516 303571939      561838        C-13-H3C-13-H2C-13-N
 1312087.9972  0.0154 -4.9634 3 1406.0089193  58516 303961285      951184        C-13-H3C-13-H2C-13-N
 1312111.5159  0.0038 -3.5948 3  760.3669125  58516 303621844      611745        C-13-H3C-13-H2C-13-N
 1312111.5159  0.0038 -3.5948 3  760.3669125  58516 303621845      611744        C-13-H3C-13-H2C-13-N
 1312127.8249  0.4869 -4.4256 3  851.5609 73  58516 3033631 5      3630 6        C-13-H3C-13-H2C-13-N
 1312127.8249  0.4869 -4.4256 3  851.5609 73  58516 3033631 6      3630 7        C-13-H3C-13-H2C-13-N
 1312316.4548  0.4868 -4.3861 3  862.3140 75  58516 3033731 6      3730 7        C-13-H3C-13-H2C-13-N
 1312316.4548  0.4868 -4.3861 3  862.3140 75  58516 3033731 7      3730 8        C-13-H3C-13-H2C-13-N
 1312353.5116  0.0091 -4.5908 3 1236.6878179  58516 303891377      881276        C-13-H3C-13-H2C-13-N
 1312417.8260  0.0091 -4.5907 3 1236.6858179  58516 303891376      881277        C-13-H3C-13-H2C-13-N
 1312509.8587  0.4868 -4.3560 3  873.3567 77  58516 3033831 7      3830 8        C-13-H3C-13-H2C-13-N
 1312509.8587  0.4868 -4.3560 3  873.3567 77  58516 3033831 8      3830 9        C-13-H3C-13-H2C-13-N
 1312708.0114  0.4867 -4.3332 3  884.6890 79  58516 3033931 8      3930 9        C-13-H3C-13-H2C-13-N
 1312708.0114  0.4867 -4.3332 3  884.6890 79  58516 3033931 9      393010        C-13-H3C-13-H2C-13-N
 1312910.8874  0.4867 -4.3161 3  896.3108 81  58516 3034031 9      403010        C-13-H3C-13-H2C-13-N
 1312910.8874  0.4867 -4.3161 3  896.3108 81  58516 303403110      403011        C-13-H3C-13-H2C-13-N
 1313118.4604  0.4867 -4.3038 3  908.2220 83  58516 303413110      413011        C-13-H3C-13-H2C-13-N
 1313118.4604  0.4867 -4.3038 3  908.2220 83  58516 303413111      413012        C-13-H3C-13-H2C-13-N
 1313330.7037  0.4866 -4.2956 3  920.4224 85  58516 303423111      423012        C-13-H3C-13-H2C-13-N
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 1332861.2235  0.0059 -4.1869 3 1057.1036161  58516 303801566      791465        C-13-H3C-13-H2C-13-N
 1332861.2388  0.0059 -4.1869 3 1057.1036161  58516 303801565      791466        C-13-H3C-13-H2C-13-N
 1333506.9619  0.0167 -3.2158 3  582.9915 81  58516 303402317      392218        C-13-H3C-13-H2C-13-N
 1333506.9619  0.0167 -3.2158 3  582.9915 81  58516 303402318      392217        C-13-H3C-13-H2C-13-N
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 1335068.5984  0.0818 -3.1311 3  553.9374 53  58516 3032626 1      2525 0        C-13-H3C-13-H2C-13-N
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 1335749.5703  0.0050 -3.9980 3  967.7011151  58516 303751659      741560        C-13-H3C-13-H2C-13-N
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 1335889.5597  0.0105 -4.7331 3 1314.4483185  58516 303921379      911280        C-13-H3C-13-H2C-13-N
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 1336658.5320  0.0041 -3.3505 3  650.0392101  58516 303502129      492030        C-13-H3C-13-H2C-13-N
 1336658.5320  0.0041 -3.3505 3  650.0392101  58516 303502130      492029        C-13-H3C-13-H2C-13-N
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 1337381.3169  0.0043 -3.8302 3  886.9708141  58516 303701754      691653        C-13-H3C-13-H2C-13-N
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 1337788.8903  0.0515 -3.1525 3  558.9094 63  58516 3033125 6      3024 7        C-13-H3C-13-H2C-13-N
 1337788.8903  0.0515 -3.1525 3  558.9094 63  58516 3033125 7      3024 6        C-13-H3C-13-H2C-13-N
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 1339403.0251  0.0319 -5.1604 3  659.6971139  58516 30369 366      68 267        C-13-H3C-13-H2C-13-N
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 1340205.6261  0.0306 -3.1852 3  572.4544 73  58516 303362412      352313        C-13-H3C-13-H2C-13-N
 1340205.6261  0.0306 -3.1852 3  572.4544 73  58516 303362413      352312        C-13-H3C-13-H2C-13-N
 1340297.9366  0.0315 -5.0022 3  927.5632161  58516 30380 674      79 575        C-13-H3C-13-H2C-13-N
 1341217.8248  0.0061 -4.2271 3 1080.1334163  58516 303811567      801466        C-13-H3C-13-H2C-13-N
 1341217.8463  0.0061 -4.2271 3 1080.1334163  58516 303811566      801467        C-13-H3C-13-H2C-13-N
 1341475.2675  0.0138 -4.9045 3  894.3396157  58516 30378 871      77 572        C-13-H3C-13-H2C-13-N
 1342300.3161  0.0167 -3.2317 3  594.5676 83  58516 303412318      402219        C-13-H3C-13-H2C-13-N
 1342300.3161  0.0167 -3.2317 3  594.5676 83  58516 303412319      402218        C-13-H3C-13-H2C-13-N
 1342793.8879  0.0257 -5.0027 3  731.4480145  58516 30372 468      71 369        C-13-H3C-13-H2C-13-N
 1343479.9848  0.0110 -4.7820 3 1340.9466187  58516 303931381      921280        C-13-H3C-13-H2C-13-N
 1343648.0718  0.0110 -4.7819 3 1340.9415187  58516 303931380      921281        C-13-H3C-13-H2C-13-N
 1343868.5513  0.0818 -3.1413 3  561.4795 55  58516 3032726 1      2625 2        C-13-H3C-13-H2C-13-N
 1343868.5513  0.0818 -3.1413 3  561.4795 55  58516 3032726 2      2625 1        C-13-H3C-13-H2C-13-N
 1344049.8344  0.0082 -3.2936 3  625.2455 93  58516 303462224      452125        C-13-H3C-13-H2C-13-N
 1344049.8344  0.0082 -3.2936 3  625.2455 93  58516 303462225      452124        C-13-H3C-13-H2C-13-N
 1344243.2700  0.0052 -4.0348 3  989.2979153  58516 303761661      751560        C-13-H3C-13-H2C-13-N
 1344243.2702  0.0052 -4.0348 3  989.2979153  58516 303761660      751561        C-13-H3C-13-H2C-13-N
 1344366.7479  0.0080 -4.4870 3 1204.4859175  58516 303871474      861373        C-13-H3C-13-H2C-13-N
 1344369.3337  0.0080 -4.4870 3 1204.4858175  58516 303871473      861374        C-13-H3C-13-H2C-13-N
 1345138.1349  0.0205 -5.1766 3 1518.3435201  58516 303A01288      991189        C-13-H3C-13-H2C-13-N
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 1345423.7174  0.0041 -3.3719 3  664.4857103  58516 303512131      502030        C-13-H3C-13-H2C-13-N
 1345969.9908  0.0045 -3.8638 3  907.1377143  58516 303711754      701655        C-13-H3C-13-H2C-13-N
 1345969.9908  0.0045 -3.8638 3  907.1377143  58516 303711755      701654        C-13-H3C-13-H2C-13-N
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 1346379.9068  0.0034 -3.4675 3  712.2883113  58516 303562037      551936        C-13-H3C-13-H2C-13-N
 1346591.0865  0.0515 -3.1643 3  567.8948 65  58516 3033225 7      3124 8        C-13-H3C-13-H2C-13-N
 1346591.0865  0.0515 -3.1643 3  567.8948 65  58516 3033225 8      3124 7        C-13-H3C-13-H2C-13-N
 1346710.5983  0.0252 -5.0010 3  731.4473145  58516 30372 568      71 269        C-13-H3C-13-H2C-13-N
 1346767.5939  0.0040 -3.7128 3  833.6009133  58516 303661848      651749        C-13-H3C-13-H2C-13-N
 1346767.5939  0.0040 -3.7128 3  833.6009133  58516 303661849      651748        C-13-H3C-13-H2C-13-N
 1346857.9167  0.0037 -3.5809 3  768.6570123  58516 303611942      601843        C-13-H3C-13-H2C-13-N
 1346857.9167  0.0037 -3.5809 3  768.6570123  58516 303611943      601842        C-13-H3C-13-H2C-13-N
 1347970.2932  0.0062 -5.1539 3  480.5599115  58516 30357 849      56 552        C-13-H3C-13-H2C-13-N
 1349005.9936  0.0305 -3.1992 3  582.8806 75  58516 303372413      362314        C-13-H3C-13-H2C-13-N
 1349005.9936  0.0305 -3.1992 3  582.8806 75  58516 303372414      362313        C-13-H3C-13-H2C-13-N
 1349555.7690  0.0244 -4.9301 3  805.9156151  58516 30375 670      74 371        C-13-H3C-13-H2C-13-N
 1349559.0998  0.0064 -4.2680 3 1103.4487165  58516 303821568      811467        C-13-H3C-13-H2C-13-N
 1349559.1296  0.0064 -4.2680 3 1103.4487165  58516 303821567      811468        C-13-H3C-13-H2C-13-N
 1350875.0702  0.6528 -5.1572 3  855.1908 65  58516 3033232 0      3231 1        C-13-H3C-13-H2C-13-N
 1350875.0702  0.6528 -5.1572 3  855.1908 65  58516 3033232 1      3231 2        C-13-H3C-13-H2C-13-N
 1351049.6217  0.6528 -4.8824 3  864.7903 67  58516 3033332 1      3331 2        C-13-H3C-13-H2C-13-N
 1351049.6217  0.6528 -4.8824 3  864.7903 67  58516 3033332 2      3331 3        C-13-H3C-13-H2C-13-N
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 1351094.2586  0.0167 -3.2482 3  606.4322 85  58516 303422320      412219        C-13-H3C-13-H2C-13-N
 1351161.1508  0.0116 -4.8317 3 1367.7274189  58516 303941382      931281        C-13-H3C-13-H2C-13-N
 1351229.2157  0.6527 -4.7329 3  874.6798 69  58516 3033432 2      3431 3        C-13-H3C-13-H2C-13-N
 1351229.2157  0.6527 -4.7329 3  874.6798 69  58516 3033432 3      3431 4        C-13-H3C-13-H2C-13-N
 1351373.0027  0.0116 -4.8315 3 1367.7209189  58516 303941381      931282        C-13-H3C-13-H2C-13-N
 1351413.8309  0.6527 -4.6348 3  884.8593 71  58516 3033532 3      3531 4        C-13-H3C-13-H2C-13-N
 1351413.8309  0.6527 -4.6348 3  884.8593 71  58516 3033532 4      3531 5        C-13-H3C-13-H2C-13-N
 1351603.4450  0.6527 -4.5652 3  895.3288 73  58516 3033632 4      3631 5        C-13-H3C-13-H2C-13-N
 1351603.4450  0.6527 -4.5652 3  895.3288 73  58516 3033632 5      3631 6        C-13-H3C-13-H2C-13-N
 1351798.0356  0.6526 -4.5136 3  906.0882 75  58516 3033732 5      3731 6        C-13-H3C-13-H2C-13-N
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 1351997.5794  0.6526 -4.4746 3  917.1374 77  58516 3033832 7      3831 8        C-13-H3C-13-H2C-13-N
 1352202.0528  0.6526 -4.4450 3  928.4763 79  58516 3033932 7      3931 8        C-13-H3C-13-H2C-13-N
 1352202.0528  0.6526 -4.4450 3  928.4763 79  58516 3033932 8      3931 9        C-13-H3C-13-H2C-13-N
 1352411.4314  0.6526 -4.4227 3  940.1048 81  58516 3034032 8      4031 9        C-13-H3C-13-H2C-13-N
 1352411.4314  0.6526 -4.4227 3  940.1048 81  58516 3034032 9      403110        C-13-H3C-13-H2C-13-N
 1352470.7898  0.0084 -4.5320 3 1229.5263177  58516 303881475      871374        C-13-H3C-13-H2C-13-N
 1352474.2032  0.0084 -4.5320 3 1229.5262177  58516 303881474      871375        C-13-H3C-13-H2C-13-N
 1352625.6907  0.6526 -4.4061 3  952.0229 83  58516 3034132 9      413110        C-13-H3C-13-H2C-13-N
 1352625.6907  0.6526 -4.4061 3  952.0229 83  58516 303413210      413111        C-13-H3C-13-H2C-13-N
 1352671.0273  0.0817 -3.1518 3  569.3112 57  58516 3032826 2      2725 3        C-13-H3C-13-H2C-13-N
 1352671.0273  0.0817 -3.1518 3  569.3112 57  58516 3032826 3      2725 2        C-13-H3C-13-H2C-13-N
 1352726.0841  0.0054 -4.0724 3 1011.1803155  58516 303771662      761561        C-13-H3C-13-H2C-13-N
 1352726.0843  0.0054 -4.0724 3 1011.1803155  58516 303771661      761562        C-13-H3C-13-H2C-13-N
 1352832.0039  0.0083 -3.3128 3  638.5459 95  58516 303472225      462126        C-13-H3C-13-H2C-13-N
 1352832.0039  0.0083 -3.3128 3  638.5459 95  58516 303472226      462125        C-13-H3C-13-H2C-13-N
 1352844.8053  0.6526 -4.3944 3  964.2304 85  58516 303423210      423111        C-13-H3C-13-H2C-13-N
 1352844.8053  0.6526 -4.3944 3  964.2304 85  58516 303423211      423112        C-13-H3C-13-H2C-13-N
 1353068.7494  0.6526 -4.3867 3  976.7274 87  58516 303433211      433112        C-13-H3C-13-H2C-13-N
 1353068.7494  0.6526 -4.3867 3  976.7274 87  58516 303433212      433113        C-13-H3C-13-H2C-13-N
 1353297.4970  0.6526 -4.3824 3  989.5136 89  58516 303443212      443113        C-13-H3C-13-H2C-13-N
 1353297.4970  0.6526 -4.3824 3  989.5136 89  58516 303443213      443114        C-13-H3C-13-H2C-13-N
 1353531.0212  0.6526 -4.3812 3 1002.5891 91  58516 303453213      453114        C-13-H3C-13-H2C-13-N
 1353531.0212  0.6526 -4.3812 3 1002.5891 91  58516 303453214      453115        C-13-H3C-13-H2C-13-N
 1353565.4277  0.0279 -4.9730 3  827.0343153  58516 30376 571      75 472        C-13-H3C-13-H2C-13-N
 1353769.2948  0.6526 -4.3827 3 1015.9537 93  58516 303463214      463115        C-13-H3C-13-H2C-13-N
 1353769.2948  0.6526 -4.3827 3 1015.9537 93  58516 303463215      463116        C-13-H3C-13-H2C-13-N
 1354012.2902  0.6527 -4.3866 3 1029.6072 95  58516 303473215      473116        C-13-H3C-13-H2C-13-N
 1354012.2902  0.6527 -4.3866 3 1029.6072 95  58516 303473216      473117        C-13-H3C-13-H2C-13-N
 1354187.6804  0.0041 -3.3940 3  679.2197105  58516 303522131      512032        C-13-H3C-13-H2C-13-N
 1354187.6804  0.0041 -3.3940 3  679.2197105  58516 303522132      512031        C-13-H3C-13-H2C-13-N
 1354259.9793  0.6527 -4.3926 3 1043.5498 97  58516 303483216      483117        C-13-H3C-13-H2C-13-N
 1354259.9793  0.6527 -4.3926 3 1043.5498 97  58516 303483217      483118        C-13-H3C-13-H2C-13-N
 1354512.3334  0.6527 -4.4007 3 1057.7811 99  58516 303493217      493118        C-13-H3C-13-H2C-13-N
 1354512.3334  0.6527 -4.4007 3 1057.7811 99  58516 303493218      493119        C-13-H3C-13-H2C-13-N
 1354550.8612  0.0046 -3.8981 3  927.5903145  58516 303721755      711656        C-13-H3C-13-H2C-13-N
 1354550.8612  0.0046 -3.8981 3  927.5903145  58516 303721756      711655        C-13-H3C-13-H2C-13-N
 1354662.3742  0.0485 -5.1431 3 1081.1346173  58516 30386 779      85 680        C-13-H3C-13-H2C-13-N
 1354769.3235  0.6528 -4.4105 3 1072.3011101  58516 303503218      503119        C-13-H3C-13-H2C-13-N
 1354769.3235  0.6528 -4.4105 3 1072.3011101  58516 303503219      503120        C-13-H3C-13-H2C-13-N
 1354893.5003  0.0150 -4.9300 3  916.7556159  58516 30379 872      78 573        C-13-H3C-13-H2C-13-N
 1355030.9202  0.6528 -4.4221 3 1087.1098103  58516 303513219      513120        C-13-H3C-13-H2C-13-N
 1355030.9202  0.6528 -4.4221 3 1087.1098103  58516 303513220      513121        C-13-H3C-13-H2C-13-N
 1355117.6473  0.0034 -3.4925 3  728.4538115  58516 303572037      561938        C-13-H3C-13-H2C-13-N
 1355117.6473  0.0034 -3.4925 3  728.4538115  58516 303572038      561937        C-13-H3C-13-H2C-13-N
 1355297.0936  0.6528 -4.4352 3 1102.2070105  58516 303523220      523121        C-13-H3C-13-H2C-13-N
 1355297.0936  0.6528 -4.4352 3 1102.2070105  58516 303523221      523122        C-13-H3C-13-H2C-13-N
 1355395.1881  0.0514 -3.1766 3  577.1694 67  58516 3033325 8      3224 9        C-13-H3C-13-H2C-13-N
 1355395.1881  0.0514 -3.1766 3  577.1694 67  58516 3033325 9      3224 8        C-13-H3C-13-H2C-13-N
 1355418.2921  0.0041 -3.7439 3  852.6250135  58516 303671849      661750        C-13-H3C-13-H2C-13-N
 1355418.2921  0.0041 -3.7439 3  852.6250135  58516 303671850      661749        C-13-H3C-13-H2C-13-N
 1355559.0787  0.0037 -3.6090 3  786.2524125  58516 303621943      611844        C-13-H3C-13-H2C-13-N
 1355559.0787  0.0037 -3.6090 3  786.2524125  58516 303621944      611843        C-13-H3C-13-H2C-13-N
 1355567.8134  0.6529 -4.4498 3 1117.5925107  58516 303533221      533122        C-13-H3C-13-H2C-13-N
 1355567.8134  0.6529 -4.4498 3 1117.5925107  58516 303533222      533123        C-13-H3C-13-H2C-13-N
 1355843.0488  0.6529 -4.4659 3 1133.2664109  58516 303543222      543123        C-13-H3C-13-H2C-13-N
 1355843.0488  0.6529 -4.4659 3 1133.2664109  58516 303543223      543124        C-13-H3C-13-H2C-13-N
 1356118.4618  0.0204 -4.9215 3  882.9700157  58516 30378 772      77 473        C-13-H3C-13-H2C-13-N
 1356122.7687  0.6530 -4.4832 3 1149.2285111  58516 303553223      553124        C-13-H3C-13-H2C-13-N
 1356122.7687  0.6530 -4.4832 3 1149.2285111  58516 303553224      553125        C-13-H3C-13-H2C-13-N
 1356406.9416  0.6530 -4.5019 3 1165.4786113  58516 303563224      563125        C-13-H3C-13-H2C-13-N
 1356406.9416  0.6530 -4.5019 3 1165.4786113  58516 303563225      563126        C-13-H3C-13-H2C-13-N
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 1356695.5356  0.6530 -4.5217 3 1182.0167115  58516 303573226      573127        C-13-H3C-13-H2C-13-N
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 1432711.5186  1.1247 -4.5863 3 1149.4539 99  58516 303493416      493317        C-13-H3C-13-H2C-13-N
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 1460893.8749  0.1804 -3.2649 3  669.9227 63  58516 3033128 4      3027 3        C-13-H3C-13-H2C-13-N
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 1469274.1019  1.4471 -4.7659 3 1091.2912 83  58516 3034135 7      4134 8        C-13-H3C-13-H2C-13-N
 1469513.0086  1.4474 -4.7379 3 1103.5213 85  58516 3034235 7      4234 8        C-13-H3C-13-H2C-13-N
 1469513.0086  1.4474 -4.7379 3 1103.5213 85  58516 3034235 8      4234 9        C-13-H3C-13-H2C-13-N
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 1469757.2659  1.4476 -4.7171 3 1116.0414 87  58516 3034335 9      433410        C-13-H3C-13-H2C-13-N
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 1469978.8704  0.0509 -3.3862 3  724.0281 93  58516 303462522      452421        C-13-H3C-13-H2C-13-N
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 1470006.8508  1.4478 -4.7022 3 1128.8512 89  58516 303443510      443411        C-13-H3C-13-H2C-13-N
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 1470261.7401  1.4481 -4.6920 3 1141.9508 91  58516 303453511      453412        C-13-H3C-13-H2C-13-N
 1470521.9099  1.4483 -4.6859 3 1155.3399 93  58516 303463511      463412        C-13-H3C-13-H2C-13-N
 1470521.9099  1.4483 -4.6859 3 1155.3399 93  58516 303463512      463413        C-13-H3C-13-H2C-13-N
 1470787.3360  1.4486 -4.6834 3 1169.0186 95  58516 303473512      473413        C-13-H3C-13-H2C-13-N
 1470787.3360  1.4486 -4.6834 3 1169.0186 95  58516 303473513      473414        C-13-H3C-13-H2C-13-N
 1471057.9938  1.4489 -4.6838 3 1182.9866 97  58516 303483513      483414        C-13-H3C-13-H2C-13-N
 1471057.9938  1.4489 -4.6838 3 1182.9866 97  58516 303483514      483415        C-13-H3C-13-H2C-13-N
 1471333.8583  1.4492 -4.6870 3 1197.2440 99  58516 303493514      493415        C-13-H3C-13-H2C-13-N
 1471333.8583  1.4492 -4.6870 3 1197.2440 99  58516 303493515      493416        C-13-H3C-13-H2C-13-N
 1471614.9041  1.4495 -4.6926 3 1211.7906101  58516 303503515      503416        C-13-H3C-13-H2C-13-N
 1471614.9041  1.4495 -4.6926 3 1211.7906101  58516 303503516      503417        C-13-H3C-13-H2C-13-N
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 1471901.1054  1.4498 -4.7003 3 1226.6263103  58516 303513517      513418        C-13-H3C-13-H2C-13-N
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 1472293.7301  0.0303 -3.4569 3  759.1363103  58516 303512428      502327        C-13-H3C-13-H2C-13-N
 1472488.8692  1.4505 -4.7217 3 1257.1645107  58516 303533518      533419        C-13-H3C-13-H2C-13-N
 1472488.8692  1.4505 -4.7217 3 1257.1645107  58516 303533519      533420        C-13-H3C-13-H2C-13-N
 1472536.0795  0.0119 -4.9625 3 1487.3655195  58516 303971583      961482        C-13-H3C-13-H2C-13-N
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 1472790.3783  1.4508 -4.7350 3 1272.8668109  58516 303543520      543421        C-13-H3C-13-H2C-13-N
 1473089.9260  0.1229 -3.3066 3  689.8566 75  58516 303372710      362611        C-13-H3C-13-H2C-13-N
 1473089.9260  0.1229 -3.3066 3  689.8566 75  58516 303372711      362610        C-13-H3C-13-H2C-13-N
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 1473096.9358  1.4512 -4.7499 3 1288.8577111  58516 303553521      553422        C-13-H3C-13-H2C-13-N
 1473408.5142  1.4515 -4.7663 3 1305.1373113  58516 303563521      563422        C-13-H3C-13-H2C-13-N
 1473408.5142  1.4515 -4.7663 3 1305.1373113  58516 303563522      563423        C-13-H3C-13-H2C-13-N
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 1473722.8278  0.0086 -4.4488 3 1243.8778173  58516 303861769      851670        C-13-H3C-13-H2C-13-N
 1473725.0855  1.4519 -4.7841 3 1321.7052115  58516 303573522      573423        C-13-H3C-13-H2C-13-N
 1473725.0855  1.4519 -4.7841 3 1321.7052115  58516 303573523      573424        C-13-H3C-13-H2C-13-N
 1474046.6213  1.4523 -4.8032 3 1338.5614117  58516 303583523      583424        C-13-H3C-13-H2C-13-N
 1474046.6213  1.4523 -4.8032 3 1338.5614117  58516 303583524      583425        C-13-H3C-13-H2C-13-N
 1474208.9704  0.0168 -3.5443 3  802.7735113  58516 303562333      552234        C-13-H3C-13-H2C-13-N
 1474208.9704  0.0168 -3.5443 3  802.7735113  58516 303562334      552233        C-13-H3C-13-H2C-13-N
 1474373.0929  1.4527 -4.8237 3 1355.7058119  58516 303593524      593425        C-13-H3C-13-H2C-13-N
 1474373.0929  1.4527 -4.8237 3 1355.7058119  58516 303593525      593426        C-13-H3C-13-H2C-13-N
 1474704.4713  1.4531 -4.8453 3 1373.1383121  58516 303603525      603426        C-13-H3C-13-H2C-13-N
 1474704.4713  1.4531 -4.8453 3 1373.1383121  58516 303603526      603427        C-13-H3C-13-H2C-13-N
 1475040.7273  1.4535 -4.8681 3 1390.8587123  58516 303613526      613427        C-13-H3C-13-H2C-13-N
 1475040.7273  1.4535 -4.8681 3 1390.8587123  58516 303613527      613428        C-13-H3C-13-H2C-13-N
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 1475381.8312  1.4539 -4.8920 3 1408.8669125  58516 303623528      623429        C-13-H3C-13-H2C-13-N
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 1475687.3672  0.0086 -3.6490 3  854.9376123  58516 303612240      602139        C-13-H3C-13-H2C-13-N
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 1475727.7530  1.4543 -4.9170 3 1427.1628127  58516 303633529      633430        C-13-H3C-13-H2C-13-N
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 1476078.4627  1.4547 -4.9431 3 1445.7462129  58516 303643530      643431        C-13-H3C-13-H2C-13-N
 1476121.2744  0.0809 -3.3489 3  709.3329 85  58516 303422616      412517        C-13-H3C-13-H2C-13-N
 1476121.2744  0.0809 -3.3489 3  709.3329 85  58516 303422617      412516        C-13-H3C-13-H2C-13-N
 1476433.9296  1.4551 -4.9702 3 1464.6171131  58516 303653530      653431        C-13-H3C-13-H2C-13-N
 1476433.9296  1.4551 -4.9702 3 1464.6171131  58516 303653531      653432        C-13-H3C-13-H2C-13-N
 1476678.2695  0.0048 -3.7715 3  915.6291133  58516 303662145      652046        C-13-H3C-13-H2C-13-N
 1476678.2695  0.0048 -3.7715 3  915.6291133  58516 303662146      652045        C-13-H3C-13-H2C-13-N
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 1476794.1230  1.4555 -4.9982 3 1483.7752133  58516 303663532      663433        C-13-H3C-13-H2C-13-N
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 1477110.3404  0.0045 -3.9121 3  984.8530143  58516 303712052      701951        C-13-H3C-13-H2C-13-N
 1477159.0118  1.4559 -5.0273 3 1503.2204135  58516 303673532      673433        C-13-H3C-13-H2C-13-N
 1477159.0118  1.4559 -5.0273 3 1503.2204135  58516 303673533      673434        C-13-H3C-13-H2C-13-N
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 1477528.5647  1.4563 -5.0572 3 1522.9527137  58516 303683534      683435        C-13-H3C-13-H2C-13-N
 1477902.7502  1.4568 -5.0881 3 1542.9718139  58516 303693534      693435        C-13-H3C-13-H2C-13-N
 1477902.7502  1.4568 -5.0881 3 1542.9718139  58516 303693535      693436        C-13-H3C-13-H2C-13-N
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 1478558.2055  0.1802 -3.2915 3  688.2098 67  58516 3033328 6      3227 5        C-13-H3C-13-H2C-13-N
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 1478799.6046  0.0509 -3.4064 3  737.3445 95  58516 303472523      462422        C-13-H3C-13-H2C-13-N
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 1480572.7283  0.0122 -5.0142 3 1515.2346197  58516 303981583      971484        C-13-H3C-13-H2C-13-N
 1481101.6821  0.0303 -3.4799 3  773.8863105  58516 303522428      512329        C-13-H3C-13-H2C-13-N
 1481101.6821  0.0303 -3.4799 3  773.8863105  58516 303522429      512328        C-13-H3C-13-H2C-13-N
 1481923.4623  0.1228 -3.3223 3  700.5866 77  58516 303382711      372612        C-13-H3C-13-H2C-13-N
 1481923.4623  0.1228 -3.3223 3  700.5866 77  58516 303382712      372611        C-13-H3C-13-H2C-13-N
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 1482998.2479  0.0168 -3.5702 3  818.9543115  58516 303572335      562234        C-13-H3C-13-H2C-13-N
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 1483704.5090  0.2569 -3.2847 3  692.5117 59  58516 3032929 1      2828 0        C-13-H3C-13-H2C-13-N
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 1484373.8148  0.0075 -4.2912 3 1172.2542165  58516 303821865      811764        C-13-H3C-13-H2C-13-N
 1484450.9047  0.0087 -3.6778 3  872.5465125  58516 303622240      612141        C-13-H3C-13-H2C-13-N
 1484450.9047  0.0087 -3.6778 3  872.5465125  58516 303622241      612140        C-13-H3C-13-H2C-13-N
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 1484950.8895  0.0808 -3.3671 3  721.5016 87  58516 303432618      422517        C-13-H3C-13-H2C-13-N
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 1485502.9548  0.0060 -4.1094 3 1084.5016155  58516 303771958      761859        C-13-H3C-13-H2C-13-N
 1485502.9548  0.0060 -4.1094 3 1084.5016155  58516 303771959      761858        C-13-H3C-13-H2C-13-N
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 1485793.7777  0.0047 -3.9470 3 1005.3118145  58516 303722053      711952        C-13-H3C-13-H2C-13-N
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 1486707.7577  0.0107 -4.7645 3 1400.0471187  58516 303931677      921578        C-13-H3C-13-H2C-13-N
 1487393.9327  0.1802 -3.3054 3  697.7877 69  58516 3033428 6      3327 7        C-13-H3C-13-H2C-13-N
 1487393.9327  0.1802 -3.3054 3  697.7877 69  58516 3033428 7      3327 6        C-13-H3C-13-H2C-13-N
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 1487620.7781  0.0509 -3.4272 3  750.9491 97  58516 303482524      472423        C-13-H3C-13-H2C-13-N
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