834.6124  0.0002 -9.5427 3  112.9000 37  72503 30318 711      18 712        s-trans-Propenoic acid
     845.3317  0.0002 -9.5800 3  184.8001 57  72503 303281018      281019        s-trans-Propenoic acid
     947.9847  0.0003 -9.5725 3  252.3663 71  72503 303351223      351224        s-trans-Propenoic acid
     994.4721  0.0002 -9.4098 3   96.8779 31  72503 30315 6 9      15 610        s-trans-Propenoic acid
    1000.0031  0.0006 -9.6531 3  334.3774 85  72503 303421428      421429        s-trans-Propenoic acid
    1081.0877  0.0003 -9.3559 3  159.7082 51  72503 30325 916      25 917        s-trans-Propenoic acid
    1138.1378  0.0002 -9.3244 3   83.6192 25  72503 30312 5 7      12 5 8        s-trans-Propenoic acid
    1170.9392  0.0001 -9.4028 3   65.3950 13  72503 303 6 3 3       6 3 4        s-trans-Propenoic acid
    1222.6337  0.0002 -9.3074 3   73.1247 19  72503 303 9 4 5       9 4 6        s-trans-Propenoic acid
    1238.7979  0.0004 -9.3119 3  220.9711 65  72503 303321121      321122        s-trans-Propenoic acid
    1273.9878  0.0001 -9.5577 3   58.4613  3  72503 303 1 1 0       1 1 1        s-trans-Propenoic acid
    1323.4362  0.0006 -9.3648 3  296.6844 79  72503 303391326      391327        s-trans-Propenoic acid
    1351.0868  0.0010 -9.4919 3  386.8387 93  72503 303461531      461532        s-trans-Propenoic acid
    1363.3252  0.0003 -9.1542 3  137.3775 45  72503 30322 814      22 815        s-trans-Propenoic acid
    1604.1010  0.0004 -9.0687 3  192.3349 59  72503 303291019      291020        s-trans-Propenoic acid
    1688.6836  0.0004 -8.9793 3  117.8087 39  72503 30319 712      19 713        s-trans-Propenoic acid
    1731.1329  0.0036 -9.5840 3  556.6181115  72503 303571839      571840        s-trans-Propenoic acid
    1739.4447  0.0006 -9.0910 3  261.7477 73  72503 303361224      361225        s-trans-Propenoic acid
    1784.2930  0.0020 -9.3607 3  443.9031101  72503 303501634      501635        s-trans-Propenoic acid
    1792.6990  0.0010 -9.1934 3  345.6078 87  72503 303431429      431430        s-trans-Propenoic acid
    2042.6375  0.0004 -8.8378 3  101.0025 33  72503 30316 610      16 611        s-trans-Propenoic acid
    2054.2404  0.0005 -8.8450 3  166.4582 53  72503 30326 917      26 918        s-trans-Propenoic acid
    2208.6630  0.0063 -9.5106 3  626.4134123  72503 303611942      611943        s-trans-Propenoic acid
    2267.6971  0.0007 -8.8336 3  229.5679 67  72503 303331122      331123        s-trans-Propenoic acid
    2311.8134  0.0036 -9.2561 3  505.5696109  72503 303541737      541738        s-trans-Propenoic acid
    2363.0492  0.0010 -8.9091 3  307.1310 81  72503 303401327      401328        s-trans-Propenoic acid
    2369.7110  0.0019 -9.0534 3  399.1364 95  72503 303471532      471533        s-trans-Propenoic acid
    2390.9287  0.0004 -8.7394 3   86.9596 27  72503 30313 5 8      13 5 9        s-trans-Propenoic acid
    2418.9078  0.0002 -8.9599 3   61.4273  9  72503 303 4 2 2       4 2 3        s-trans-Propenoic acid
    2594.8653  0.0006 -8.6444 3  143.3418 47  72503 30323 815      23 816        s-trans-Propenoic acid
    2666.1180  0.0004 -8.7004 3   75.6814 21  72503 30310 4 6      10 4 7        s-trans-Propenoic acid
    2746.4546  0.0003 -8.7509 3   67.1696 15  72503 303 7 3 4       7 3 5        s-trans-Propenoic acid
    2780.0818  0.0108 -9.4590 3  700.8046131  72503 303652045      652046        s-trans-Propenoic acid
    2927.6732  0.0008 -8.5944 3  200.1458 61  72503 303301020      301021        s-trans-Propenoic acid
    2946.9103  0.0064 -9.1759 3  571.8370117  72503 303581840      581841        s-trans-Propenoic acid
    3069.5879  0.0035 -8.9413 3  457.2695103  72503 303511635      511636        s-trans-Propenoic acid
    3090.8244  0.0010 -8.6406 3  271.4091 75  72503 303371225      371226        s-trans-Propenoic acid
    3126.6707  0.0018 -8.7604 3  357.1214 89  72503 303441430      441431        s-trans-Propenoic acid
    3221.3040  0.0007 -8.4711 3  122.9864 41  72503 30320 713      20 714        s-trans-Propenoic acid
    3457.9167  0.0178 -9.4279 3  779.7890139  72503 303692148      692149        s-trans-Propenoic acid
    3703.9269  0.0110 -9.1180 3  642.7032125  72503 303621943      621944        s-trans-Propenoic acid
    3735.0161  0.0009 -8.3764 3  173.4820 55  72503 30327 918      27 919        s-trans-Propenoic acid
    3821.9516  0.0002 -8.8598 3   58.9194  5  72503 303 2 1 1       2 1 2        s-trans-Propenoic acid
    3908.6196  0.0063 -8.8544 3  520.0062111  72503 303551738      551739        s-trans-Propenoic acid
    3909.5392  0.0008 -8.3316 3  105.3925 35  72503 30317 611      17 612        s-trans-Propenoic acid
    3942.4696  0.0388 -9.4763 3  377.2248 79  72503 303392316      402219        s-trans-Propenoic acid
    3942.4696  0.0388 -9.4763 3  377.2248 79  72503 303392317      402218        s-trans-Propenoic acid
    3981.1703  0.0020 -9.3948 3   92.3767 25  72503 30312 8 5      13 7 6        s-trans-Propenoic acid
    3990.0071  0.0020 -9.3929 3   92.3764 25  72503 30312 8 4      13 7 7        s-trans-Propenoic acid
    4002.8160  0.0167 -9.3137 3  250.2910 61  72503 303301812      311715        s-trans-Propenoic acid
    4002.8160  0.0167 -9.3137 3  250.2910 61  72503 303301813      311714        s-trans-Propenoic acid
    4005.5175  0.0011 -8.3898 3  238.4426 69  72503 303341123      341124        s-trans-Propenoic acid
    4019.2084  0.0053 -9.2691 3  155.3272 43  72503 3032113 9      221210        s-trans-Propenoic acid
    4019.2218  0.0053 -9.2691 3  155.3272 43  72503 3032113 8      221211        s-trans-Propenoic acid
    4048.6248  0.0034 -8.6408 3  411.7187 97  72503 303481533      481534        s-trans-Propenoic acid
    4093.7782  0.0018 -8.4830 3  317.8590 83  72503 303411328      411329        s-trans-Propenoic acid
    4163.0978  0.0051 -9.1837 3  161.0481 47  72503 303231212      2213 9        s-trans-Propenoic acid
    4163.1394  0.0051 -9.1837 3  161.0481 47  72503 303231211      221310        s-trans-Propenoic acid
    4173.3990  0.0164 -9.2465 3  258.2966 65  72503 303321716      311813        s-trans-Propenoic acid
    4173.3991  0.0164 -9.2465 3  258.2966 65  72503 303321715      311814        s-trans-Propenoic acid
    4205.9729  0.0020 -9.2422 3   95.8091 29  72503 30314 7 8      13 8 5        s-trans-Propenoic acid
    4230.8473  0.0383 -9.3994 3  387.5105 83  72503 303412219      402318        s-trans-Propenoic acid
    4230.8473  0.0383 -9.3994 3  387.5105 83  72503 303412220      402317        s-trans-Propenoic acid
    4231.9455  0.0020 -9.2368 3   95.8091 29  72503 30314 7 7      13 8 6        s-trans-Propenoic acid
    4255.6786  0.0288 -9.4159 3  863.3637147  72503 303732251      732252        s-trans-Propenoic acid
    4598.2798  0.0184 -9.0810 3  718.1660133  72503 303662046      662047        s-trans-Propenoic acid
    4602.6624  0.0008 -8.2351 3   90.5614 29  72503 30314 5 9      14 510        s-trans-Propenoic acid
    4695.1509  0.0010 -8.1831 3  149.5770 49  72503 30324 816      24 817        s-trans-Propenoic acid
    4763.6352  0.0012 -9.3299 3   67.0107 15  72503 303 7 3 5       6 4 2        s-trans-Propenoic acid
    4904.2441  0.0110 -8.7904 3  587.3447119  72503 303591841      591842        s-trans-Propenoic acid
    5133.0444  0.0013 -8.1593 3  208.2322 63  72503 303311021      311022        s-trans-Propenoic acid
    5148.4277  0.0061 -8.5473 3  470.9220105  72503 303521636      521637        s-trans-Propenoic acid
    5187.8538  0.0454 -9.4223 3  951.5254155  72503 303772354      772355        s-trans-Propenoic acid
    5191.9452  0.0007 -8.1959 3   78.4944 23  72503 30311 4 7      11 4 8        s-trans-Propenoic acid
    5202.4620  0.0004 -8.4130 3   62.6658 11  72503 303 5 2 3       5 2 4        s-trans-Propenoic acid
    5298.0933  0.0032 -8.3560 3  368.9179 91  72503 303451431      451432        s-trans-Propenoic acid
    5311.0068  0.0018 -8.2231 3  281.3497 77  72503 303381226      381227        s-trans-Propenoic acid
    5489.1148  0.0659 -9.3756 3  499.3334 93  72503 303462719      472622        s-trans-Propenoic acid
    5489.1148  0.0659 -9.3756 3  499.3334 93  72503 303462720      472621        s-trans-Propenoic acid
    5491.6801  0.0006 -8.2385 3   69.1943 17  72503 303 8 3 5       8 3 6        s-trans-Propenoic acid
    5581.3350  0.0019 -9.1851 3   83.0396 21  72503 30310 7 4      11 6 5        s-trans-Propenoic acid
    5587.7872  0.0335 -9.1399 3  347.3201 75  72503 303372215      382118        s-trans-Propenoic acid
    5587.7872  0.0335 -9.1399 3  347.3201 75  72503 303372216      382117        s-trans-Propenoic acid
    5605.8765  0.0019 -9.1813 3   83.0388 21  72503 30310 7 3      11 6 6        s-trans-Propenoic acid
    5638.0834  0.0137 -9.0060 3  227.2328 57  72503 303281712      291613        s-trans-Propenoic acid
    5638.0835  0.0137 -9.0060 3  227.2328 57  72503 303281711      291614        s-trans-Propenoic acid
    5644.1468  0.0041 -8.9958 3  139.1258 39  72503 3031912 8      2011 9        s-trans-Propenoic acid
    5644.1863  0.0041 -8.9958 3  139.1258 39  72503 3031912 7      201110        s-trans-Propenoic acid
    5646.4343  0.0300 -9.0636 3  798.2227141  72503 303702149      702150        s-trans-Propenoic acid
    5793.1349  0.0012 -8.0194 3  128.4313 43  72503 30321 714      21 715        s-trans-Propenoic acid
    5806.0495  0.0065 -8.8898 3  179.1782 51  72503 303251313      241410        s-trans-Propenoic acid
    5806.0634  0.0065 -8.8898 3  179.1782 51  72503 303251312      241411        s-trans-Propenoic acid
    5822.4900  0.0198 -8.9778 3  283.2807 69  72503 303341816      331915        s-trans-Propenoic acid
    5822.4900  0.0198 -8.9778 3  283.2807 69  72503 303341817      331914        s-trans-Propenoic acid
    5848.0330  0.0022 -8.9126 3  107.0771 33  72503 30316 8 9      15 9 6        s-trans-Propenoic acid
    5857.1844  0.0022 -8.9113 3  107.0771 33  72503 30316 8 8      15 9 7        s-trans-Propenoic acid
    5887.6389  0.0441 -9.1538 3  419.3375 87  72503 303432320      422419        s-trans-Propenoic acid
    5887.6389  0.0441 -9.1538 3  419.3375 87  72503 303432321      422418        s-trans-Propenoic acid
    5984.9695  0.0053 -9.3899 3  196.1742 63  72503 30331 625      30 922        s-trans-Propenoic acid
    6074.9961  0.0186 -8.7479 3  659.2828127  72503 303631944      631945        s-trans-Propenoic acid
    6446.7080  0.0107 -8.4775 3  534.7298113  72503 303561739      561740        s-trans-Propenoic acid
    6488.0817  0.0014 -7.9523 3  180.7781 57  72503 30328 919      28 920        s-trans-Propenoic acid
    6726.3999  0.0057 -8.2561 3  424.5851 99  72503 303491534      491535        s-trans-Propenoic acid
    6814.1571  0.0018 -7.9833 3  247.5939 71  72503 303351124      351125        s-trans-Propenoic acid
    6865.8566  0.0476 -9.0648 3  882.8700149  72503 303742252      742253        s-trans-Propenoic acid
    6868.4607  0.0030 -8.0888 3  328.8676 85  72503 303421329      421330        s-trans-Propenoic acid
    6961.2697  0.0010 -9.1096 3   62.6071 11  72503 303 5 2 3       4 3 2        s-trans-Propenoic acid
    6979.0843  0.0012 -7.8918 3  110.0457 37  72503 30318 612      18 613        s-trans-Propenoic acid
    7132.4244  0.0015 -8.8718 3   72.8868 19  72503 303 9 4 6       8 5 3        s-trans-Propenoic acid
    7141.6527  0.0584 -9.0981 3  464.0626 89  72503 303442618      452521        s-trans-Propenoic acid
    7141.6527  0.0584 -9.0981 3  464.0626 89  72503 303442619      452520        s-trans-Propenoic acid
    7155.0864  0.0017 -9.0872 3   75.1784 17  72503 303 8 6 3       9 5 4        s-trans-Propenoic acid
    7199.7429  0.0077 -9.3028 3  191.7927 63  72503 30331 626      30 723        s-trans-Propenoic acid
    7221.1768  0.0017 -9.0793 3   75.1762 17  72503 303 8 6 2       9 5 5        s-trans-Propenoic acid
    7229.0908  0.0287 -8.8878 3  318.8855 71  72503 303352114      362017        s-trans-Propenoic acid
    7229.0908  0.0287 -8.8878 3  318.8855 71  72503 303352115      362016        s-trans-Propenoic acid
    7262.7809  0.0032 -8.8093 3  124.3987 35  72503 3031711 7      1810 8        s-trans-Propenoic acid
    7262.8970  0.0032 -8.8093 3  124.3987 35  72503 3031711 6      1810 9        s-trans-Propenoic acid
    7268.7729  0.0111 -8.7818 3  205.6471 53  72503 303261611      271512        s-trans-Propenoic acid
    7268.7730  0.0111 -8.7818 3  205.6471 53  72503 303261610      271513        s-trans-Propenoic acid
    7440.4283  0.0306 -8.7253 3  735.8181135  72503 303672047      672048        s-trans-Propenoic acid
    7452.0450  0.0084 -8.6749 3  198.7817 55  72503 303271414      261511        s-trans-Propenoic acid
    7452.0495  0.0084 -8.6749 3  198.7817 55  72503 303271413      261512        s-trans-Propenoic acid
    7474.5397  0.0236 -8.7866 3  309.7361 73  72503 303361917      352016        s-trans-Propenoic acid
    7474.5397  0.0236 -8.7866 3  309.7361 73  72503 303361918      352015        s-trans-Propenoic acid
    7489.4889  0.0024 -8.6665 3  119.8199 37  72503 30318 910      1710 7        s-trans-Propenoic acid
    7492.6585  0.0024 -8.6661 3  119.8199 37  72503 30318 9 9      1710 8        s-trans-Propenoic acid
    7502.6098  0.0001 -8.1930 3   58.0000  3  72503 303 1 0 1       0 0 0        s-trans-Propenoic acid
    7547.5047  0.0504 -8.9838 3  452.6329 91  72503 303452421      442520        s-trans-Propenoic acid
    7547.5047  0.0504 -8.9838 3  452.6329 91  72503 303452422      442519        s-trans-Propenoic acid
    7557.2083  0.0014 -8.9151 3   67.0091 15  72503 303 7 3 4       6 4 3        s-trans-Propenoic acid
    7601.8740  0.0002 -8.3841 3   58.2503  3  72503 303 1 1 0       1 0 1        s-trans-Propenoic acid
    7627.6398  0.0009 -8.9215 3   63.8871 13  72503 303 6 2 5       5 3 2        s-trans-Propenoic acid
    7628.9019  0.0003 -8.4125 3   59.6030  7  72503 303 3 1 2       3 1 3        s-trans-Propenoic acid
    7674.8217  0.0916 -9.2574 3  627.4070109  72503 303542925      533024        s-trans-Propenoic acid
    7674.8217  0.0916 -9.2574 3  627.4070109  72503 303542926      533023        s-trans-Propenoic acid
    7965.0842  0.0184 -8.4297 3  603.1402121  72503 303601842      601843        s-trans-Propenoic acid
    8062.1839  0.0016 -7.7729 3  156.0808 51  72503 30325 817      25 818        s-trans-Propenoic acid
    8096.7388  0.0054 -9.2005 3  184.4186 59  72503 30329 822      30 525        s-trans-Propenoic acid
    8149.7761  0.0012 -7.8091 3   94.4213 31  72503 30315 510      15 511        s-trans-Propenoic acid
    8274.9438  0.0739 -9.0838 3  972.1045157  72503 303782355      782356        s-trans-Propenoic acid
    8333.2146  0.0038 -9.1765 3  133.8626 45  72503 30322 716      23 419        s-trans-Propenoic acid
    8346.2465  0.0047 -9.1957 3   97.5560 35  72503 30317 315      16 412        s-trans-Propenoic acid
    8374.1994  0.0016 -8.7292 3   72.8862 19  72503 303 9 4 5       8 5 4        s-trans-Propenoic acid
    8402.2408  0.0102 -8.1809 3  484.8592107  72503 303531637      531638        s-trans-Propenoic acid
    8503.6256  0.0002 -8.6560 3   58.4613  5  72503 303 2 0 2       1 1 1        s-trans-Propenoic acid
    8625.4047  0.0020 -7.7664 3  216.5918 65  72503 303321022      321023        s-trans-Propenoic acid
    8660.0825  0.0041 -9.1405 3  139.8208 47  72503 30323 717      24 420        s-trans-Propenoic acid
    8660.6598  0.0930 -9.1532 3  600.4854103  72503 303513021      522924        s-trans-Propenoic acid
    8660.6598  0.0930 -9.1532 3  600.4854103  72503 303513022      522923        s-trans-Propenoic acid
    8677.9308  0.0015 -9.0976 3   68.7939 13  72503 303 6 5 2       7 4 3        s-trans-Propenoic acid
    8703.0048  0.0053 -7.9829 3  380.9957 93  72503 303461432      461433        s-trans-Propenoic acid
    8790.2080  0.0514 -8.8733 3  430.2594 85  72503 303422517      432420        s-trans-Propenoic acid
    8790.2080  0.0514 -8.8733 3  430.2594 85  72503 303422518      432419        s-trans-Propenoic acid
    8804.3502  0.0029 -7.8416 3  291.5680 79  72503 303391227      391228        s-trans-Propenoic acid
    8848.0274  0.0015 -9.0811 3   68.7882 13  72503 303 6 5 1       7 4 4        s-trans-Propenoic acid
    8866.1354  0.0243 -8.6874 3  291.9215 67  72503 303332013      341916        s-trans-Propenoic acid
    8866.1354  0.0243 -8.6874 3  291.9215 67  72503 303332014      341915        s-trans-Propenoic acid
    8873.7340  0.0026 -8.6812 3  111.1462 31  72503 3031510 6      16 9 7        s-trans-Propenoic acid
    8874.0709  0.0026 -8.6812 3  111.1462 31  72503 3031510 5      16 9 8        s-trans-Propenoic acid
    8894.3705  0.0089 -8.6102 3  185.5343 49  72503 303241510      251411        s-trans-Propenoic acid
    8894.3709  0.0089 -8.6102 3  185.5343 49  72503 3032415 9      251412        s-trans-Propenoic acid
    9021.0022  0.0490 -8.7218 3  816.9477143  72503 303712150      712151        s-trans-Propenoic acid
    9049.5256  0.0002 -8.0550 3   58.7450  5  72503 303 2 1 1       2 0 2        s-trans-Propenoic acid
    9089.0451  0.0017 -8.5855 3   80.2386 23  72503 30311 5 7      10 6 4        s-trans-Propenoic acid
    9100.8167  0.0106 -8.5094 3  219.8582 59  72503 303291515      281612        s-trans-Propenoic acid
    9100.8182  0.0106 -8.5094 3  219.8582 59  72503 303291514      281613        s-trans-Propenoic acid
    9128.9768  0.0011 -7.7841 3   81.5599 25  72503 30312 4 8      12 4 9        s-trans-Propenoic acid
    9129.4181  0.0279 -8.6435 3  337.6623 77  72503 303382018      372117        s-trans-Propenoic acid
    9129.4181  0.0279 -8.6435 3  337.6623 77  72503 303382019      372116        s-trans-Propenoic acid
    9132.7527  0.0030 -8.4728 3  134.0373 41  72503 303201011      1911 8        s-trans-Propenoic acid
    9133.8359  0.0030 -8.4727 3  134.0373 41  72503 303201010      1911 9        s-trans-Propenoic acid
    9210.3798  0.0573 -8.8609 3  487.3961 95  72503 303472522      462621        s-trans-Propenoic acid
    9210.3798  0.0573 -8.8609 3  487.3961 95  72503 303472523      462620        s-trans-Propenoic acid
    9297.6990  0.0066 -9.0481 3  252.6737 75  72503 30337 730      361027        s-trans-Propenoic acid
    9333.3552  0.0006 -8.0092 3   64.1416 13  72503 303 6 2 4       6 2 5        s-trans-Propenoic acid
    9347.7519  0.1017 -9.1539 3  668.9916113  72503 303563026      553125        s-trans-Propenoic acid
    9347.7519  0.1017 -9.1539 3  668.9916113  72503 303563027      553124        s-trans-Propenoic acid
    9589.3648  0.0018 -8.5382 3   80.2384 23  72503 30311 5 6      10 6 5        s-trans-Propenoic acid
    9649.5734  0.0009 -7.8373 3   71.4647 19  72503 303 9 3 6       9 3 7        s-trans-Propenoic acid
    9726.0059  0.0305 -8.4024 3  676.1510129  72503 303641945      641946        s-trans-Propenoic acid
    9807.6666  0.0018 -7.6260 3  134.1406 45  72503 30322 715      22 716        s-trans-Propenoic acid
    9892.9266  0.1122 -9.1199 3 1065.9223165  72503 303822458      822459        s-trans-Propenoic acid
    9951.2439  0.0037 -9.0486 3  128.0994 43  72503 30321 715      22 418        s-trans-Propenoic acid
   10092.2643  0.0060 -8.9572 3  216.5918 67  72503 30333 726      321023        s-trans-Propenoic acid
   10187.4964  0.0074 -9.0977 3  247.7081 73  72503 30336 828      37 731        s-trans-Propenoic acid
   10317.7006  0.0835 -8.9420 3  561.3231 99  72503 303492920      502823        s-trans-Propenoic acid
   10317.7006  0.0835 -8.9420 3  561.3231 99  72503 303492921      502822        s-trans-Propenoic acid
   10349.8315  0.0068 -9.0743 3  165.6669 55  72503 30327 621      28 524        s-trans-Propenoic acid
   10349.8473  0.0177 -8.1282 3  549.7388115  72503 303571740      571741        s-trans-Propenoic acid
   10434.6244  0.0451 -8.6845 3  397.9246 81  72503 303402416      412319        s-trans-Propenoic acid
   10434.6244  0.0451 -8.6845 3  397.9246 81  72503 303402417      412318        s-trans-Propenoic acid
   10475.0081  0.0023 -8.6005 3   99.3685 27  72503 30313 9 5      14 8 6        s-trans-Propenoic acid
   10475.9705  0.0023 -8.6004 3   99.3685 27  72503 30313 9 4      14 8 7        s-trans-Propenoic acid
   10498.6159  0.0205 -8.5232 3  266.4286 63  72503 303311912      321815        s-trans-Propenoic acid
   10498.6159  0.0205 -8.5232 3  266.4286 63  72503 303311913      321814        s-trans-Propenoic acid
   10514.2127  0.0070 -8.4768 3  166.8949 45  72503 3032214 9      231310        s-trans-Propenoic acid
   10514.2140  0.0070 -8.4768 3  166.8949 45  72503 3032214 8      231311        s-trans-Propenoic acid
   10649.0735  0.0045 -8.9750 3  145.9777 49  72503 30324 718      25 421        s-trans-Propenoic acid
   10739.2692  0.0022 -7.5759 3  188.3436 59  72503 30329 920      29 921        s-trans-Propenoic acid
   10752.1694  0.0131 -8.3786 3  242.4073 63  72503 303311616      301713        s-trans-Propenoic acid
   10752.1699  0.0131 -8.3786 3  242.4073 63  72503 303311615      301714        s-trans-Propenoic acid
   10778.4166  0.0037 -8.3159 3  149.7291 45  72503 303221112      2112 9        s-trans-Propenoic acid
   10778.7828  0.0037 -8.3159 3  149.7291 45  72503 303221111      211210        s-trans-Propenoic acid
   10787.0299  0.0326 -8.5339 3  367.0586 81  72503 303402119      392218        s-trans-Propenoic acid
   10787.0299  0.0326 -8.5339 3  367.0586 81  72503 303402120      392217        s-trans-Propenoic acid
   10837.9473  0.0765 -8.7363 3  902.6681151  72503 303752253      752254        s-trans-Propenoic acid
   10840.2575  0.0095 -7.9025 3  437.7333101  72503 303501535      501536        s-trans-Propenoic acid
   10851.9331  0.0019 -8.3756 3   89.0659 27  72503 30313 6 8      12 7 5        s-trans-Propenoic acid
   10876.2181  0.0648 -8.7707 3  523.6264 99  72503 303492623      482722        s-trans-Propenoic acid
   10876.2181  0.0648 -8.7707 3  523.6264 99  72503 303492624      482721        s-trans-Propenoic acid
   11042.1070  0.0019 -8.3603 3   89.0658 27  72503 30313 6 7      12 7 6        s-trans-Propenoic acid
   11129.9338  0.0049 -7.7298 3  340.1543 87  72503 303431330      431331        s-trans-Propenoic acid
   11132.8653  0.0028 -7.6172 3  257.0192 73  72503 303361125      361126        s-trans-Propenoic acid
   11517.7986  0.0003 -7.7697 3   59.4733  7  72503 303 3 1 2       3 0 3        s-trans-Propenoic acid
   11619.3649  0.0019 -7.5180 3  114.9583 39  72503 30319 613      19 614        s-trans-Propenoic acid
   11715.3879  0.0079 -8.9106 3  308.0683 85  72503 30342 834      411131        s-trans-Propenoic acid
   11752.5569  0.0493 -8.3945 3  753.7592137  72503 303682048      682049        s-trans-Propenoic acid
   11970.6119  0.0747 -8.7580 3  523.6264 95  72503 303472819      482722        s-trans-Propenoic acid
   11970.6119  0.0747 -8.7580 3  523.6264 95  72503 303472820      482721        s-trans-Propenoic acid
   12004.5023  0.0012 -8.3860 3   68.7939 17  72503 303 8 3 6       7 4 3        s-trans-Propenoic acid
   12063.5629  0.0020 -8.5651 3   89.0659 23  72503 30311 8 4      12 7 5        s-trans-Propenoic acid
   12066.2570  0.0020 -8.5649 3   89.0658 23  72503 30311 8 3      12 7 6        s-trans-Propenoic acid
   12074.7100  0.0392 -8.5228 3  367.0586 77  72503 303382315      392218        s-trans-Propenoic acid
   12074.7100  0.0392 -8.5228 3  367.0586 77  72503 303382316      392217        s-trans-Propenoic acid
   12126.1521  0.0170 -8.3868 3  242.4073 59  72503 303291811      301714        s-trans-Propenoic acid
   12126.1521  0.0170 -8.3868 3  242.4073 59  72503 303291812      301713        s-trans-Propenoic acid
   12127.4354  0.0055 -8.3743 3  149.7291 41  72503 3032013 8      2112 9        s-trans-Propenoic acid
   12127.4394  0.0055 -8.3743 3  149.7291 41  72503 3032013 7      211210        s-trans-Propenoic acid
   12393.6967  0.0064 -8.7729 3  243.2690 73  72503 30336 729      351026        s-trans-Propenoic acid
   12405.9628  0.0161 -8.2736 3  266.4286 67  72503 303331717      321814        s-trans-Propenoic acid
   12405.9630  0.0161 -8.2736 3  266.4286 67  72503 303331716      321815        s-trans-Propenoic acid
   12426.4894  0.0049 -8.1869 3  166.8949 49  72503 303241213      231310        s-trans-Propenoic acid
   12426.6121  0.0049 -8.1868 3  166.8949 49  72503 303241212      231311        s-trans-Propenoic acid
   12447.3067  0.0379 -8.4494 3  397.9246 85  72503 303422220      412319        s-trans-Propenoic acid
   12447.3067  0.0379 -8.4494 3  397.9246 85  72503 303422221      412318        s-trans-Propenoic acid
   12459.5845  0.0009 -8.4222 3   65.4341 15  72503 303 7 2 6       6 3 3        s-trans-Propenoic acid
   12535.2521  0.0020 -8.2088 3   99.3685 31  72503 30315 7 9      14 8 6        s-trans-Propenoic acid
   12544.9887  0.0728 -8.7049 3  561.3231103  72503 303512724      502823        s-trans-Propenoic acid
   12544.9887  0.0728 -8.7049 3  561.3231103  72503 303512725      502822        s-trans-Propenoic acid
   12557.9111  0.0110 -8.9386 3  370.4348 95  72503 30347 938      461235        s-trans-Propenoic acid
   12593.8756  0.0297 -8.0966 3  619.2216123  72503 303611843      611844        s-trans-Propenoic acid
   12604.8590  0.0020 -8.2039 3   99.3685 31  72503 30315 7 8      14 8 7        s-trans-Propenoic acid
   12636.0558  0.0005 -8.0785 3   60.5088  9  72503 303 4 1 3       4 1 4        s-trans-Propenoic acid
   12647.1917  0.0024 -8.7257 3   74.4849 23  72503 30311 210      10 3 7        s-trans-Propenoic acid
   12650.6492  0.0046 -8.8970 3  142.9199 47  72503 30323 816      24 519        s-trans-Propenoic acid
   12779.8987  0.0071 -8.7655 3  151.9209 53  72503 30326 522      25 619        s-trans-Propenoic acid
   12907.0766  0.0056 -8.8295 3  192.0258 61  72503 30330 823      31 526        s-trans-Propenoic acid
   12913.0867  0.1167 -8.7681 3  992.9757159  72503 303792356      792357        s-trans-Propenoic acid
   12916.9499  0.0062 -8.8583 3  238.6454 71  72503 30335 927      36 630        s-trans-Propenoic acid
   13104.9189  0.0024 -7.4161 3  162.8494 53  72503 30326 818      26 819        s-trans-Propenoic acid
   13145.3302  0.0060 -8.7071 3  225.2213 69  72503 30334 727      331024        s-trans-Propenoic acid
   13148.5177  0.0121 -8.8804 3  329.7212 89  72503 30344 936      431033        s-trans-Propenoic acid
   13305.9821  0.0165 -7.8454 3  499.0788109  72503 303541638      541639        s-trans-Propenoic acid
   13319.1298  0.0018 -7.4564 3   98.5350 33  72503 30316 511      16 512        s-trans-Propenoic acid
   13375.3704  0.0058 -8.8822 3  166.0121 53  72503 30326 918      27 621        s-trans-Propenoic acid
   13469.8432  0.1147 -8.8987 3  668.9916109  72503 303543222      553125        s-trans-Propenoic acid
   13469.8432  0.1147 -8.8987 3  668.9916109  72503 303543223      553124        s-trans-Propenoic acid
   13523.4817  0.0084 -8.7514 3  229.3457 71  72503 30335 729      34 826        s-trans-Propenoic acid
   13609.2686  0.0073 -8.7377 3  247.5939 73  72503 30336 828      351125        s-trans-Propenoic acid
   13619.2697  0.0665 -8.5954 3  487.3961 91  72503 303452718      462621        s-trans-Propenoic acid
   13619.2697  0.0665 -8.5954 3  487.3961 91  72503 303452719      462620        s-trans-Propenoic acid
   13634.5021  0.0019 -8.5827 3   80.2386 19  72503 303 9 7 3      10 6 4        s-trans-Propenoic acid
   13641.8379  0.0019 -8.5822 3   80.2384 19  72503 303 9 7 2      10 6 5        s-trans-Propenoic acid
   13710.2301  0.0339 -8.3827 3  337.6623 73  72503 303362214      372117        s-trans-Propenoic acid
   13710.2301  0.0339 -8.3827 3  337.6623 73  72503 303362215      372116        s-trans-Propenoic acid
   13731.1996  0.0002 -7.4930 3   58.4613  5  72503 303 2 1 2       1 1 1        s-trans-Propenoic acid
   13732.9005  0.0042 -8.2991 3  134.0373 37  72503 3031812 7      1911 8        s-trans-Propenoic acid
   13732.9122  0.0042 -8.2991 3  134.0373 37  72503 3031812 6      1911 9        s-trans-Propenoic acid
   13748.2689  0.0140 -8.2733 3  219.8582 55  72503 303271710      281613        s-trans-Propenoic acid
   13748.2689  0.0140 -8.2733 3  219.8582 55  72503 303271711      281612        s-trans-Propenoic acid
   13777.8850  0.0037 -8.8235 3  122.5268 41  72503 30320 714      21 417        s-trans-Propenoic acid
   13793.5405  0.0062 -8.6651 3  234.1158 71  72503 30335 728      341025        s-trans-Propenoic acid
   13817.0624  0.0085 -7.6445 3  393.3521 95  72503 303471433      471434        s-trans-Propenoic acid
   13830.4961  0.0003 -8.0400 3   58.0000  3  72503 303 1 1 1       0 0 0        s-trans-Propenoic acid
   13831.5329  0.0071 -8.8545 3  292.1915 81  72503 303401031      41 734        s-trans-Propenoic acid
   13847.2477  0.0029 -7.4187 3  225.2213 67  72503 303331023      331024        s-trans-Propenoic acid
   14018.2578  0.0048 -8.7616 3  152.3359 51  72503 30325 719      26 422        s-trans-Propenoic acid
   14035.9000  0.0045 -7.4995 3  302.0606 81  72503 303401228      401229        s-trans-Propenoic acid
   14062.0986  0.0194 -8.1892 3  291.9215 71  72503 303351817      341916        s-trans-Propenoic acid
   14062.0986  0.0194 -8.1892 3  291.9215 71  72503 303351818      341915        s-trans-Propenoic acid
   14068.2220  0.0774 -8.4050 3  835.9618145  72503 303722151      722152        s-trans-Propenoic acid
   14076.8345  0.0063 -8.0797 3  185.5343 53  72503 303261314      251411        s-trans-Propenoic acid
   14076.8753  0.0063 -8.0797 3  185.5343 53  72503 303261313      251412        s-trans-Propenoic acid
   14110.2020  0.0436 -8.3847 3  430.2594 89  72503 303442321      432420        s-trans-Propenoic acid
   14110.2020  0.0436 -8.3847 3  430.2594 89  72503 303442322      432419        s-trans-Propenoic acid
   14190.0014  0.0021 -8.0707 3  111.1462 35  72503 30317 810      16 9 7        s-trans-Propenoic acid
   14214.8125  0.0021 -8.0691 3  111.1462 35  72503 30317 8 9      16 9 8        s-trans-Propenoic acid
   14216.6738  0.0816 -8.6584 3  600.4854107  72503 303532825      522924        s-trans-Propenoic acid
   14216.6738  0.0816 -8.6584 3  600.4854107  72503 303532826      522923        s-trans-Propenoic acid
   14321.8032  0.0144 -8.8448 3  317.8590 85  72503 303421032      411329        s-trans-Propenoic acid
   14586.1105  0.0032 -8.7788 3  109.5592 37  72503 30318 613      19 316        s-trans-Propenoic acid
   14648.8343  0.0016 -7.4516 3   84.8728 27  72503 30313 4 9      13 410        s-trans-Propenoic acid
   14673.1777  0.0035 -8.7627 3  114.4688 39  72503 30319 614      20 317        s-trans-Propenoic acid
   14779.2609  0.0009 -7.6965 3   65.8497 15  72503 303 7 2 5       7 2 6        s-trans-Propenoic acid
   14831.5118  0.0002 -7.3034 3   58.2503  5  72503 303 2 0 2       1 0 1        s-trans-Propenoic acid
   14972.9752  0.0006 -8.2002 3   60.4308  9  72503 303 4 1 3       3 2 2        s-trans-Propenoic acid
   15079.2991  0.0015 -8.1049 3   75.1784 21  72503 30310 4 7       9 5 4        s-trans-Propenoic acid
   15102.0301  0.0083 -8.8171 3  302.5024 83  72503 30341 932      42 835        s-trans-Propenoic acid
   15128.1285  0.1038 -8.7330 3  627.4070105  72503 303523121      533024        s-trans-Propenoic acid
   15128.1285  0.1038 -8.7330 3  627.4070105  72503 303523122      533023        s-trans-Propenoic acid
   15129.3380  0.0097 -8.7104 3  281.3497 79  72503 30339 930      381227        s-trans-Propenoic acid
   15159.1042  0.0482 -8.0848 3  693.3050131  72503 303651946      651947        s-trans-Propenoic acid
   15179.5091  0.0017 -8.6777 3   72.8868 15  72503 303 7 6 2       8 5 3        s-trans-Propenoic acid
   15198.7042  0.0017 -8.6766 3   72.8862 15  72503 303 7 6 1       8 5 4        s-trans-Propenoic acid
   15242.0027  0.0005 -7.5108 3   60.4219  9  72503 303 4 1 3       4 0 4        s-trans-Propenoic acid
   15263.5232  0.0589 -8.4504 3  452.6329 87  72503 303432617      442520        s-trans-Propenoic acid
   15263.5232  0.0589 -8.4504 3  452.6329 87  72503 303432618      442519        s-trans-Propenoic acid
   15268.6303  0.1743 -8.8167 3 1087.8665167  72503 303832459      832460        s-trans-Propenoic acid
   15272.9908  0.0013 -7.5203 3   73.9754 21  72503 30310 3 7      10 3 8        s-trans-Propenoic acid
   15329.0872  0.0033 -8.2503 3  119.8199 33  72503 3031611 6      1710 7        s-trans-Propenoic acid
   15329.1208  0.0033 -8.2503 3  119.8199 33  72503 3031611 5      1710 8        s-trans-Propenoic acid
   15340.8982  0.0291 -8.2607 3  309.7361 69  72503 303342113      352016        s-trans-Propenoic acid
   15340.8982  0.0291 -8.2607 3  309.7361 69  72503 303342114      352015        s-trans-Propenoic acid
   15364.3697  0.0114 -8.1797 3  198.7817 51  72503 303251610      261511        s-trans-Propenoic acid
   15364.3698  0.0114 -8.1797 3  198.7817 51  72503 3032516 9      261512        s-trans-Propenoic acid
   15608.5396  0.0026 -7.2914 3  140.1097 47  72503 30323 716      23 717        s-trans-Propenoic acid
   15631.5673  0.0069 -8.7320 3  207.8543 65  72503 30332 725      33 628        s-trans-Propenoic acid
   15698.4008  0.0011 -8.2237 3   67.2612 17  72503 303 8 2 7       7 3 4        s-trans-Propenoic acid
   15720.5101  0.0232 -8.1217 3  318.8855 75  72503 303371918      362017        s-trans-Propenoic acid
   15720.5101  0.0232 -8.1217 3  318.8855 75  72503 303371919      362016        s-trans-Propenoic acid
   15729.3097  0.0081 -7.9905 3  205.6471 57  72503 303281415      271512        s-trans-Propenoic acid
   15729.3232  0.0081 -7.9905 3  205.6471 57  72503 303281414      271513        s-trans-Propenoic acid
   15775.6871  0.0499 -8.3363 3  464.0626 93  72503 303462422      452521        s-trans-Propenoic acid
   15775.6871  0.0499 -8.3363 3  464.0626 93  72503 303462423      452520        s-trans-Propenoic acid
   15795.3464  0.0063 -8.7738 3  136.1327 47  72503 30323 518      24 421        s-trans-Propenoic acid
   15836.5230  0.0024 -7.9543 3  124.3987 39  72503 30319 911      1810 8        s-trans-Propenoic acid
   15845.1946  0.0024 -7.9538 3  124.3987 39  72503 30319 910      1810 9        s-trans-Propenoic acid
   15891.2660  0.0909 -8.6278 3  641.1125111  72503 303552926      543025        s-trans-Propenoic acid
   15891.2660  0.0909 -8.6278 3  641.1125111  72503 303552927      543024        s-trans-Propenoic acid
   15911.9607  0.0018 -8.3888 3   71.7865 21  72503 30310 2 9       9 3 6        s-trans-Propenoic acid
   16125.7085  0.0279 -7.8098 3  565.0301117  72503 303581741      581742        s-trans-Propenoic acid
   16254.3254  0.0072 -8.7737 3  191.7927 59  72503 303291020      30 723        s-trans-Propenoic acid
   16279.1634  0.0003 -7.3454 3   58.5038  5  72503 303 2 1 1       1 1 0        s-trans-Propenoic acid
   16368.6525  0.0031 -8.7180 3  104.8465 35  72503 30317 612      18 315        s-trans-Propenoic acid
   16378.1754  0.0039 -8.6764 3  119.5787 41  72503 30320 615      21 318        s-trans-Propenoic acid
   16468.3808  0.0059 -8.5116 3  119.0465 43  72503 30321 418      20 515        s-trans-Propenoic acid
   16568.6166  0.0076 -8.5745 3  297.3590 83  72503 30341 833      401130        s-trans-Propenoic acid
   16605.8286  0.0003 -7.7218 3   58.9194  7  72503 303 3 0 3       2 1 2        s-trans-Propenoic acid
   16696.6171  0.1187 -8.4331 3  922.7554153  72503 303762254      762255        s-trans-Propenoic acid
   16770.9387  0.0041 -8.4709 3   93.2222 33  72503 30316 314      15 411        s-trans-Propenoic acid
   16782.0483  0.0936 -8.5820 3  587.2866101  72503 303503020      512923        s-trans-Propenoic acid
   16782.0483  0.0936 -8.5820 3  587.2866101  72503 303503021      512922        s-trans-Propenoic acid
   16888.0052  0.0031 -7.2495 3  196.1742 61  72503 30330 921      30 922        s-trans-Propenoic acid
   16891.2627  0.0149 -7.5832 3  451.1601103  72503 303511536      511537        s-trans-Propenoic acid
   16903.1906  0.0519 -8.3205 3  419.3375 83  72503 303412516      422419        s-trans-Propenoic acid
   16903.1906  0.0519 -8.3205 3  419.3375 83  72503 303412517      422418        s-trans-Propenoic acid
   16913.9258  0.0027 -8.2298 3  107.0771 29  72503 3031410 5      15 9 6        s-trans-Propenoic acid
   16914.0214  0.0027 -8.2298 3  107.0771 29  72503 3031410 4      15 9 7        s-trans-Propenoic acid
   16929.7205  0.0014 -8.2232 3   69.3775 19  72503 303 9 2 8       8 3 5        s-trans-Propenoic acid
   16966.3638  0.0247 -8.1546 3  283.2807 65  72503 303322012      331915        s-trans-Propenoic acid
   16966.3638  0.0247 -8.1546 3  283.2807 65  72503 303322013      331914        s-trans-Propenoic acid
   16973.7017  0.0091 -8.1046 3  179.1782 47  72503 3032315 9      241410        s-trans-Propenoic acid
   16973.7018  0.0091 -8.1046 3  179.1782 47  72503 3032315 8      241411        s-trans-Propenoic acid
   17320.3393  0.0005 -7.3315 3   60.9303  9  72503 303 4 2 2       4 1 3        s-trans-Propenoic acid
   17359.0013  0.0075 -7.4094 3  351.7153 89  72503 303441331      441332        s-trans-Propenoic acid
   17366.7416  0.0011 -8.0731 3   63.8736 13  72503 303 6 2 4       5 3 3        s-trans-Propenoic acid
   17375.9602  0.0018 -7.9255 3   83.0396 25  72503 30312 5 8      11 6 5        s-trans-Propenoic acid
   17381.1560  0.0275 -8.0683 3  347.3201 79  72503 303392019      382118        s-trans-Propenoic acid
   17381.1560  0.0275 -8.0683 3  347.3201 79  72503 303392020      382117        s-trans-Propenoic acid
   17383.8040  0.0103 -7.9165 3  227.2328 61  72503 303301516      291613        s-trans-Propenoic acid
   17383.8084  0.0103 -7.9165 3  227.2328 61  72503 303301515      291614        s-trans-Propenoic acid
   17408.1122  0.0042 -7.2947 3  266.7145 75  72503 303371126      371127        s-trans-Propenoic acid
   17443.7475  0.0568 -8.3015 3  499.3334 97  72503 303482523      472622        s-trans-Propenoic acid
   17443.7475  0.0568 -8.3015 3  499.3334 97  72503 303482524      472621        s-trans-Propenoic acid
   17456.4233  0.0005 -7.2024 3   62.2570 11  72503 303 5 2 3       5 1 4        s-trans-Propenoic acid
   17482.1762  0.0028 -7.8554 3  139.1258 43  72503 303211012      2011 9        s-trans-Propenoic acid
   17485.1612  0.0028 -7.8552 3  139.1258 43  72503 303211011      201110        s-trans-Propenoic acid
   17568.7671  0.1009 -8.6105 3  683.2036115  72503 303573027      563126        s-trans-Propenoic acid
   17568.7671  0.1009 -8.6105 3  683.2036115  72503 303573028      563125        s-trans-Propenoic acid
   17665.5263  0.0015 -8.0159 3   68.7882 17  72503 303 8 3 5       7 4 4        s-trans-Propenoic acid
   17811.1332  0.0017 -7.9521 3   75.1762 21  72503 30310 4 6       9 5 5        s-trans-Propenoic acid
   18037.5525  0.0006 -7.4837 3   59.8575  7  72503 303 3 2 1       3 1 2        s-trans-Propenoic acid
   18062.2094  0.0026 -7.2066 3  120.1250 41  72503 30320 614      20 615        s-trans-Propenoic acid
   18070.0977  0.0763 -8.0917 3  771.9861139  72503 303692049      692050        s-trans-Propenoic acid
   18431.4843  0.0841 -8.4441 3  548.6313 97  72503 303482919      492822        s-trans-Propenoic acid
   18431.4843  0.0841 -8.4441 3  548.6313 97  72503 303482920      492821        s-trans-Propenoic acid
   18484.5369  0.0023 -8.2428 3   95.8091 25  72503 30312 9 4      13 8 5        s-trans-Propenoic acid
   18484.8028  0.0023 -8.2428 3   95.8091 25  72503 30312 9 3      13 8 6        s-trans-Propenoic acid
   18496.5729  0.0051 -8.5534 3  158.8975 53  72503 30326 720      27 423        s-trans-Propenoic acid
   18538.0526  0.0455 -8.2039 3  387.5105 79  72503 303392415      402318        s-trans-Propenoic acid
   18538.0526  0.0455 -8.2039 3  387.5105 79  72503 303392416      402317        s-trans-Propenoic acid
   18538.4787  0.0019 -7.8673 3   83.0388 25  72503 30312 5 7      11 6 6        s-trans-Propenoic acid
   18556.3005  0.0057 -8.5518 3  199.8367 63  72503 30331 824      32 527        s-trans-Propenoic acid
   18575.3064  0.0072 -8.0474 3  161.0481 43  72503 3032114 8      2213 9        s-trans-Propenoic acid
   18575.3068  0.0072 -8.0474 3  161.0481 43  72503 3032114 7      221310        s-trans-Propenoic acid
   18586.1981  0.0208 -8.0630 3  258.2966 61  72503 303301911      311814        s-trans-Propenoic acid
   18586.1981  0.0208 -8.0630 3  258.2966 61  72503 303301912      311813        s-trans-Propenoic acid
   18634.7476  0.0012 -7.9154 3   70.8431 19  72503 303 9 3 7       8 4 4        s-trans-Propenoic acid
   18703.5907  0.0008 -7.8081 3   61.6331 11  72503 303 5 1 4       5 1 5        s-trans-Propenoic acid
   18793.4271  0.0005 -7.0691 3   63.8260 13  72503 303 6 2 4       6 1 5        s-trans-Propenoic acid
   18800.2798  0.0103 -8.5474 3  358.4322 93  72503 30346 937      451234        s-trans-Propenoic acid
   19040.2408  0.0128 -7.8557 3  250.2910 65  72503 303321617      311714        s-trans-Propenoic acid
   19040.2423  0.0128 -7.8557 3  250.2910 65  72503 303321616      311715        s-trans-Propenoic acid
   19044.0141  0.0322 -8.0273 3  377.2248 83  72503 303412120      402219        s-trans-Propenoic acid
   19044.0141  0.0322 -8.0273 3  377.2248 83  72503 303412121      402218        s-trans-Propenoic acid
   19051.5316  0.0071 -8.4107 3  257.0192 75  72503 30337 829      361126        s-trans-Propenoic acid
   19114.3802  0.0642 -8.2786 3  536.0711101  72503 303502624      492723        s-trans-Propenoic acid
   19114.3802  0.0642 -8.2786 3  536.0711101  72503 303502625      492722        s-trans-Propenoic acid
   19129.3274  0.0036 -7.7712 3  155.3272 47  72503 303231113      221210        s-trans-Propenoic acid
   19130.3425  0.0036 -7.7712 3  155.3272 47  72503 303231112      221211        s-trans-Propenoic acid
   19157.2416  0.0006 -7.7303 3   59.0468  5  72503 303 2 2 0       2 1 1        s-trans-Propenoic acid
   19249.1866  0.1117 -8.6047 3  726.7577119  72503 303593128      583227        s-trans-Propenoic acid
   19249.1866  0.1117 -8.6047 3  726.7577119  72503 303593129      583226        s-trans-Propenoic acid
   19278.3045  0.0019 -7.7945 3   92.3767 29  72503 30314 6 9      13 7 6        s-trans-Propenoic acid
   19315.6832  0.0175 -8.5987 3  382.2095 97  72503 303481039      471136        s-trans-Propenoic acid
   19324.3297  0.0458 -7.7944 3  635.5851125  72503 303621844      621845        s-trans-Propenoic acid
   19443.3537  0.0042 -8.5500 3  124.8912 43  72503 30321 616      22 319        s-trans-Propenoic acid
   19454.0786  0.0163 -8.6235 3  426.4736103  72503 303511041      501338        s-trans-Propenoic acid
   19471.4101  0.0063 -8.5422 3  247.7057 73  72503 30336 928      37 631        s-trans-Propenoic acid
   19503.3457  0.0017 -8.5265 3   75.7704 23  72503 30311 2 9      10 4 6        s-trans-Propenoic acid
   19661.1883  0.1779 -8.4782 3 1014.1359161  72503 303802357      802358        s-trans-Propenoic acid
   19736.6860  0.0020 -7.7736 3   92.3764 29  72503 30314 6 8      13 7 7        s-trans-Propenoic acid
   19810.7737  0.0079 -8.3592 3  183.7705 61  72503 30330 625      29 722        s-trans-Propenoic acid
   19904.7376  0.0097 -8.4331 3  271.5281 79  72503 30339 832      38 929        s-trans-Propenoic acid
   20013.7605  0.0039 -8.5955 3  117.1411 39  72503 30319 713      20 416        s-trans-Propenoic acid
   20036.8035  0.0021 -8.3013 3   86.0162 21  72503 30310 8 3      11 7 4        s-trans-Propenoic acid
   20037.5214  0.0021 -8.3013 3   86.0162 21  72503 30310 8 2      11 7 5        s-trans-Propenoic acid
   20059.0859  0.0003 -7.5417 3   58.2503  5  72503 303 2 1 2       1 0 1        s-trans-Propenoic acid
   20076.2944  0.0753 -8.3177 3  511.4417 93  72503 303462818      472721        s-trans-Propenoic acid
   20076.2944  0.0753 -8.3177 3  511.4417 93  72503 303462819      472720        s-trans-Propenoic acid
   20083.6234  0.0074 -8.3786 3  286.8916 81  72503 30340 832      391129        s-trans-Propenoic acid
   20126.8164  0.0033 -7.1128 3  169.8780 55  72503 30327 819      27 820        s-trans-Propenoic acid
   20167.8452  0.0397 -8.0995 3  357.1527 75  72503 303372314      382217        s-trans-Propenoic acid
   20167.8452  0.0397 -8.0995 3  357.1527 75  72503 303372315      382216        s-trans-Propenoic acid
   20167.9530  0.0057 -8.0088 3  144.3917 39  72503 3031913 7      2012 8        s-trans-Propenoic acid
   20167.9541  0.0057 -8.0088 3  144.3917 39  72503 3031913 6      2012 9        s-trans-Propenoic acid
   20199.8745  0.0173 -7.9852 3  234.7842 57  72503 303281810      291713        s-trans-Propenoic acid
   20199.8745  0.0173 -7.9852 3  234.7842 57  72503 303281811      291712        s-trans-Propenoic acid
   20205.3450  0.0024 -7.1675 3  102.8967 35  72503 30317 512      17 513        s-trans-Propenoic acid
   20296.0499  0.0007 -7.2797 3   61.5800 11  72503 303 5 1 4       5 0 5        s-trans-Propenoic acid
   20376.9630  0.0254 -7.5440 3  513.5766111  72503 303551639      551640        s-trans-Propenoic acid
   20470.3482  0.0070 -8.5363 3  256.9719 75  72503 30337 829      38 732        s-trans-Propenoic acid
   20494.7253  0.0003 -6.8972 3   58.9194  7  72503 303 3 1 3       2 1 2        s-trans-Propenoic acid
   20698.5739  0.0158 -7.8063 3  274.8212 69  72503 303341718      331815        s-trans-Propenoic acid
   20698.5744  0.0158 -7.8063 3  274.8212 69  72503 303341717      331816        s-trans-Propenoic acid
   20709.0777  0.0374 -7.9972 3  408.5988 87  72503 303432221      422320        s-trans-Propenoic acid
   20709.0777  0.0374 -7.9972 3  408.5988 87  72503 303432222      422319        s-trans-Propenoic acid
   20778.5799  0.0047 -7.6999 3  173.0025 51  72503 303251214      241311        s-trans-Propenoic acid
   20778.9217  0.0047 -7.6999 3  173.0025 51  72503 303251213      241312        s-trans-Propenoic acid
   20787.5922  0.0722 -8.2663 3  574.2749105  72503 303522725      512824        s-trans-Propenoic acid
   20787.5922  0.0722 -8.2663 3  574.2749105  72503 303522726      512823        s-trans-Propenoic acid
   20850.6443  0.0065 -8.5152 3  172.6367 57  72503 30328 622      29 525        s-trans-Propenoic acid
   21007.2117  0.0020 -7.6903 3  103.1891 33  72503 30316 710      15 8 7        s-trans-Propenoic acid
   21042.5790  0.0071 -8.5320 3  302.5010 83  72503 303411032      42 735        s-trans-Propenoic acid
   21125.1519  0.0130 -7.3440 3  405.9825 97  72503 303481434      481435        s-trans-Propenoic acid
   21172.9948  0.0041 -7.1182 3  234.1158 69  72503 303341024      341025        s-trans-Propenoic acid
   21179.4625  0.0020 -7.6831 3  103.1890 33  72503 30316 7 9      15 8 8        s-trans-Propenoic acid
   21350.8448  0.1175 -8.1165 3  855.2615147  72503 303732152      732153        s-trans-Propenoic acid
   21393.2337  0.0012 -7.4421 3   67.7849 17  72503 303 8 2 6       8 2 7        s-trans-Propenoic acid
   21442.1851  0.0066 -7.1995 3  312.8229 83  72503 303411229      411230        s-trans-Propenoic acid
   21523.4375  0.0050 -8.5490 3  136.6596 45  72503 30322 815      23 518        s-trans-Propenoic acid
   21564.6565  0.0019 -8.4336 3   77.6984 17  72503 303 8 7 2       9 6 3        s-trans-Propenoic acid
   21566.5126  0.0019 -8.4336 3   77.6983 17  72503 303 8 7 1       9 6 4        s-trans-Propenoic acid
   21576.8504  0.0006 -6.9232 3   65.6229 15  72503 303 7 2 5       7 1 6        s-trans-Propenoic acid
   21577.1241  0.1155 -8.4901 3  655.0392107  72503 303533221      543124        s-trans-Propenoic acid
   21577.1241  0.1155 -8.4901 3  655.0392107  72503 303533222      543123        s-trans-Propenoic acid
   21699.1439  0.0071 -8.2859 3  266.7145 77  72503 30338 830      371127        s-trans-Propenoic acid
   21716.3088  0.0671 -8.2019 3  475.7187 89  72503 303442717      452620        s-trans-Propenoic acid
   21716.3088  0.0671 -8.2019 3  475.7187 89  72503 303442718      452619        s-trans-Propenoic acid
   21719.1231  0.0021 -7.1818 3   88.4272 29  72503 30314 410      14 411        s-trans-Propenoic acid
   21750.0419  0.0044 -7.9905 3  129.2094 35  72503 3031712 6      1811 7        s-trans-Propenoic acid
   21750.0450  0.0044 -7.9905 3  129.2094 35  72503 3031712 5      1811 8        s-trans-Propenoic acid
   21792.2511  0.0343 -8.0064 3  328.2646 71  72503 303352213      362116        s-trans-Propenoic acid
   21792.2511  0.0343 -8.0064 3  328.2646 71  72503 303352214      362115        s-trans-Propenoic acid
   21806.7437  0.0143 -7.9208 3  212.7440 53  72503 3032617 9      271612        s-trans-Propenoic acid
   21806.7437  0.0143 -7.9208 3  212.7440 53  72503 303261710      271611        s-trans-Propenoic acid
   21833.4026  0.0003 -6.7967 3   58.7450  7  72503 303 3 0 3       2 0 2        s-trans-Propenoic acid
   21916.5123  0.0072 -8.2833 3  276.6742 79  72503 30339 831      381128        s-trans-Propenoic acid
   22245.3730  0.0017 -7.2633 3   76.7208 23  72503 30311 3 8      11 3 9        s-trans-Propenoic acid
   22288.8481  0.0033 -8.5021 3   89.1517 31  72503 30315 213      14 410        s-trans-Propenoic acid
   22358.7802  0.0191 -7.7672 3  300.8229 73  72503 303361819      351916        s-trans-Propenoic acid
   22358.7804  0.0191 -7.7672 3  300.8229 73  72503 303361818      351917        s-trans-Propenoic acid
   22376.3524  0.0431 -7.9768 3  441.4417 91  72503 303452322      442421        s-trans-Propenoic acid
   22376.3524  0.0431 -7.9768 3  441.4417 91  72503 303452323      442420        s-trans-Propenoic acid
   22429.9785  0.0061 -7.6398 3  192.1514 55  72503 303271315      261412        s-trans-Propenoic acid
   22430.0926  0.0061 -7.6398 3  192.1514 55  72503 303271314      261413        s-trans-Propenoic acid
   22463.3984  0.0809 -8.2633 3  613.9441109  72503 303542826      532925        s-trans-Propenoic acid
   22463.3984  0.0809 -8.2633 3  613.9441109  72503 303542827      532924        s-trans-Propenoic acid
   22507.6416  0.0003 -7.0209 3   59.6801  7  72503 303 3 2 2       2 2 1        s-trans-Propenoic acid
   22669.5463  0.0021 -7.6034 3  115.4767 37  72503 30318 811      17 9 8        s-trans-Propenoic acid
   22732.1843  0.0021 -7.6010 3  115.4766 37  72503 30318 810      17 9 9        s-trans-Propenoic acid
   22794.6776  0.0015 -7.6609 3   77.7341 23  72503 30311 4 8      10 5 5        s-trans-Propenoic acid
   22805.5058  0.0006 -7.6870 3   58.9194  5  72503 303 2 2 1       2 1 2        s-trans-Propenoic acid
   22925.6846  0.0728 -7.7981 3  710.7408133  72503 303661947      661948        s-trans-Propenoic acid
   23181.9865  0.0003 -6.9950 3   59.6859  7  72503 303 3 2 1       2 2 0        s-trans-Propenoic acid
   23227.9868  0.1046 -8.3636 3  613.9611103  72503 303513120      523023        s-trans-Propenoic acid
   23227.9868  0.1046 -8.3636 3  613.9611103  72503 303513121      523022        s-trans-Propenoic acid
   23319.4669  0.0035 -7.9962 3  115.5014 31  72503 3031511 5      1610 6        s-trans-Propenoic acid
   23319.4757  0.0035 -7.9962 3  115.5014 31  72503 3031511 4      1610 7        s-trans-Propenoic acid
   23324.9716  0.0092 -8.2846 3  291.5680 81  72503 30340 931      391228        s-trans-Propenoic acid
   23351.3259  0.0595 -8.0960 3  441.4630 85  72503 303422616      432519        s-trans-Propenoic acid
   23351.3259  0.0595 -8.0960 3  441.4630 85  72503 303422617      432518        s-trans-Propenoic acid
   23360.4175  0.0034 -7.0117 3  146.3329 49  72503 30324 717      24 718        s-trans-Propenoic acid
   23406.0003  0.0116 -7.8701 3  192.1766 49  72503 3032416 9      251510        s-trans-Propenoic acid
   23406.0004  0.0116 -7.8701 3  192.1766 49  72503 3032416 8      251511        s-trans-Propenoic acid
   23410.8880  0.0294 -7.9243 3  300.8469 67  72503 303332112      342015        s-trans-Propenoic acid
   23410.8880  0.0294 -7.9243 3  300.8469 67  72503 303332113      342014        s-trans-Propenoic acid
   23600.1696  0.0034 -8.0436 3   89.1517 31  72503 30315 313      14 410        s-trans-Propenoic acid
   23615.5238  0.0046 -8.4124 3  130.4079 45  72503 30322 617      23 320        s-trans-Propenoic acid
   23831.7552  0.0053 -8.3700 3  165.6635 55  72503 30327 721      28 424        s-trans-Propenoic acid
   24020.8553  0.0229 -7.7374 3  328.2956 77  72503 303381920      372017        s-trans-Propenoic acid
   24020.8554  0.0229 -7.7374 3  328.2956 77  72503 303381919      372018        s-trans-Propenoic acid
   24045.8534  0.0494 -7.9652 3  475.7526 95  72503 303472423      462522        s-trans-Propenoic acid
   24045.8534  0.0494 -7.9652 3  475.7526 95  72503 303472424      462521        s-trans-Propenoic acid
   24053.4046  0.0097 -8.2961 3  346.6616 91  72503 30345 936      441233        s-trans-Propenoic acid
   24083.4283  0.0079 -7.5899 3  212.7736 59  72503 303291416      281513        s-trans-Propenoic acid
   24083.4662  0.0079 -7.5899 3  212.7736 59  72503 303291415      281514        s-trans-Propenoic acid
   24141.8202  0.0902 -8.2688 3  655.0779113  72503 303562927      553026        s-trans-Propenoic acid
   24141.8202  0.0902 -8.2688 3  655.0779113  72503 303562928      553025        s-trans-Propenoic acid
   24281.8034  0.0012 -7.6415 3   73.1655 21  72503 30310 3 8       9 4 5        s-trans-Propenoic acid
   24297.0308  0.0420 -7.5254 3  580.5993119  72503 303591742      591743        s-trans-Propenoic acid
   24301.6756  0.0004 -6.7499 3   59.0468  7  72503 303 3 1 2       2 1 1        s-trans-Propenoic acid
   24310.6018  0.0023 -7.5296 3  129.2390 41  72503 30320 912      1910 9        s-trans-Propenoic acid
   24332.8423  0.0023 -7.5288 3  129.2390 41  72503 30320 911      191010        s-trans-Propenoic acid
   24549.3947  0.0004 -7.1620 3   59.6030  9  72503 303 4 0 4       3 1 3        s-trans-Propenoic acid
   24599.1000  0.0069 -8.1127 3  145.1773 51  72503 30325 521      24 618        s-trans-Propenoic acid
   24751.7640  0.0080 -8.4316 3  313.0159 85  72503 30342 933      43 836        s-trans-Propenoic acid
   24796.7500  0.0015 -8.2371 3   78.6676 25  72503 30312 210      11 4 7        s-trans-Propenoic acid
   24813.9984  0.0058 -8.3390 3  207.8522 65  72503 30332 825      33 528        s-trans-Propenoic acid
   24818.4222  0.0006 -7.4011 3   59.6030  7  72503 303 3 2 2       3 1 3        s-trans-Propenoic acid
   24873.2280  0.0007 -7.4941 3   61.4273 11  72503 303 5 1 4       4 2 3        s-trans-Propenoic acid
   24873.4108  0.0028 -8.0325 3  103.2681 27  72503 3031310 4      14 9 5        s-trans-Propenoic acid
   24873.4350  0.0028 -8.0325 3  103.2681 27  72503 3031310 3      14 9 6        s-trans-Propenoic acid
   24874.0348  0.0943 -8.2460 3  574.3474 99  72503 303493019      502922        s-trans-Propenoic acid
   24874.0348  0.0943 -8.2460 3  574.3474 99  72503 303493020      502921        s-trans-Propenoic acid
   24981.1056  0.0524 -7.9995 3  408.6753 81  72503 303402515      412418        s-trans-Propenoic acid
   24981.1056  0.0524 -7.9995 3  408.6753 81  72503 303402516      412417        s-trans-Propenoic acid
   24996.6396  0.0094 -7.8337 3  173.0822 45  72503 3032215 8      2314 9        s-trans-Propenoic acid
   24996.6397  0.0094 -7.8337 3  173.0822 45  72503 3032215 7      231410        s-trans-Propenoic acid
   25023.2946  0.0251 -7.8529 3  274.9000 63  72503 303312011      321914        s-trans-Propenoic acid
   25023.2946  0.0251 -7.8529 3  274.9000 63  72503 303312012      321913        s-trans-Propenoic acid
   25024.3767  0.1766 -8.1585 3  943.1276155  72503 303772255      772256        s-trans-Propenoic acid
   25182.7722  0.0041 -6.9723 3  204.2643 63  72503 30331 922      31 923        s-trans-Propenoic acid
   25355.3182  0.0222 -7.3013 3  464.8604105  72503 303521537      521538        s-trans-Propenoic acid
   25378.7485  0.0051 -8.4204 3  113.6223 41  72503 30320 317      19 514        s-trans-Propenoic acid
   25508.3663  0.0218 -8.3724 3  368.9179 93  72503 303461135      451432        s-trans-Propenoic acid
   25581.2306  0.0010 -7.5785 3   62.9727 13  72503 303 6 1 5       6 1 6        s-trans-Propenoic acid
   25591.5322  0.0135 -8.2763 3  328.8676 87  72503 303431033      421330        s-trans-Propenoic acid
   25611.5104  0.0065 -8.3477 3  216.0741 67  72503 30333 726      34 629        s-trans-Propenoic acid
   25657.3472  0.0018 -7.5109 3   86.1038 27  72503 30313 5 9      12 6 6        s-trans-Propenoic acid
   25684.8088  0.0271 -7.7161 3  357.2387 81  72503 303402020      392119        s-trans-Propenoic acid
   25684.8088  0.0271 -7.7161 3  357.2387 81  72503 303402021      392118        s-trans-Propenoic acid
   25717.6043  0.0562 -7.9618 3  511.5310 99  72503 303492524      482623        s-trans-Propenoic acid
   25717.6043  0.0562 -7.9618 3  511.5310 99  72503 303492525      482622        s-trans-Propenoic acid
   25722.2993  0.0004 -7.1829 3   58.7450  7  72503 303 3 1 3       2 0 2        s-trans-Propenoic acid
   25738.8261  0.0100 -7.5492 3  234.8685 63  72503 303311517      301614        s-trans-Propenoic acid
   25738.8386  0.0100 -7.5492 3  234.8685 63  72503 303311516      301615        s-trans-Propenoic acid
   25791.1600  0.0061 -8.3992 3  142.0596 49  72503 30324 519      25 422        s-trans-Propenoic acid
   25822.8847  0.1002 -8.2822 3  697.6753117  72503 303583028      573127        s-trans-Propenoic acid
   25822.8847  0.1002 -8.2822 3  697.6753117  72503 303583029      573126        s-trans-Propenoic acid
   25928.3896  0.0009 -6.7696 3   67.6336 17  72503 303 8 2 6       8 1 7        s-trans-Propenoic acid
   25947.5348  0.0027 -7.4667 3  144.4759 45  72503 303221013      211110        s-trans-Propenoic acid
   25955.2893  0.0027 -7.4664 3  144.4759 45  72503 303221012      211111        s-trans-Propenoic acid
   25967.5046  0.0110 -7.1299 3  363.5455 91  72503 303451332      451333        s-trans-Propenoic acid
   25973.8504  0.0058 -7.0171 3  276.6742 77  72503 303381127      381128        s-trans-Propenoic acid
   26057.5695  0.0149 -8.3271 3  413.4118101  72503 303501040      491337        s-trans-Propenoic acid
   26113.7465  0.0025 -8.2594 3   85.3614 29  72503 30314 212      13 4 9        s-trans-Propenoic acid
   26298.1118  0.0053 -7.9966 3  113.6223 41  72503 30320 417      19 514        s-trans-Propenoic acid
   26319.3341  0.0033 -6.9494 3  125.5397 43  72503 30321 615      21 616        s-trans-Propenoic acid
   26330.5752  0.0125 -8.2261 3  318.3368 87  72503 30343 935      421032        s-trans-Propenoic acid
   26351.8684  0.0008 -6.6985 3   68.4985 17  72503 303 8 3 5       8 2 6        s-trans-Propenoic acid
   26359.2375  0.0006 -6.6317 3   70.9073 19  72503 303 9 3 6       9 2 7        s-trans-Propenoic acid
   26408.0385  0.0024 -8.1127 3   92.5095 23  72503 30311 9 3      12 8 4        s-trans-Propenoic acid
   26408.1025  0.0024 -8.1127 3   92.5095 23  72503 30311 9 2      12 8 5        s-trans-Propenoic acid
   26413.6427  0.0062 -8.3184 3  256.9706 75  72503 30337 929      38 632        s-trans-Propenoic acid
   26486.7963  0.0009 -7.0754 3   62.9425 13  72503 303 6 1 5       6 0 6        s-trans-Propenoic acid
   26515.1119  0.0848 -8.1367 3  536.1989 95  72503 303472918      482821        s-trans-Propenoic acid
   26515.1119  0.0848 -8.1367 3  536.1989 95  72503 303472919      482820        s-trans-Propenoic acid
   26520.7480  0.0024 -8.2154 3   87.0394 29  72503 30314 311      13 5 8        s-trans-Propenoic acid
   26577.3971  0.0074 -7.8132 3  155.4613 41  72503 3032014 7      2113 8        s-trans-Propenoic acid
   26577.3972  0.0074 -7.8132 3  155.4613 41  72503 3032014 6      2113 9        s-trans-Propenoic acid
   26605.3629  0.0460 -7.9121 3  377.3563 77  72503 303382414      392317        s-trans-Propenoic acid
   26605.3629  0.0460 -7.9121 3  377.3563 77  72503 303382415      392316        s-trans-Propenoic acid
   26628.9127  0.0211 -7.7923 3  250.4245 59  72503 303291910      301813        s-trans-Propenoic acid
   26628.9127  0.0211 -7.7923 3  250.4245 59  72503 303291911      301812        s-trans-Propenoic acid
   26826.2141  0.0087 -8.0951 3  220.2546 69  72503 30334 728      33 825        s-trans-Propenoic acid
   26952.1377  0.1127 -7.8200 3  790.4941141  72503 303702050      702051        s-trans-Propenoic acid
   27033.8749  0.0018 -8.1631 3   81.8644 27  72503 30313 211      12 4 8        s-trans-Propenoic acid
   27155.3415  0.0004 -6.5073 3   59.6030  9  72503 303 4 1 4       3 1 3        s-trans-Propenoic acid
   27350.6613  0.0318 -7.7027 3  387.6517 85  72503 303422121      412220        s-trans-Propenoic acid
   27350.6613  0.0318 -7.7027 3  387.6517 85  72503 303422122      412219        s-trans-Propenoic acid
   27391.6346  0.0636 -7.9658 3  548.7760103  72503 303512625      502724        s-trans-Propenoic acid
   27391.6346  0.0636 -7.9658 3  548.7760103  72503 303512626      502723        s-trans-Propenoic acid
   27396.0947  0.0125 -7.5169 3  258.4358 67  72503 303331618      321715        s-trans-Propenoic acid
   27396.0988  0.0125 -7.5169 3  258.4358 67  72503 303331617      321716        s-trans-Propenoic acid
   27506.6235  0.1109 -8.3029 3  741.7357121  72503 303603129      593228        s-trans-Propenoic acid
   27506.6235  0.1109 -8.3029 3  741.7357121  72503 303603130      593227        s-trans-Propenoic acid
   27537.4873  0.0007 -7.2069 3   60.5088  9  72503 303 4 2 3       4 1 4        s-trans-Propenoic acid
   27537.8665  0.0009 -6.7562 3   66.3427 15  72503 303 7 3 4       7 2 5        s-trans-Propenoic acid
   27586.0751  0.0034 -7.4134 3  161.1869 49  72503 303241114      231211        s-trans-Propenoic acid
   27588.7404  0.0034 -7.4133 3  161.1869 49  72503 303241113      231212        s-trans-Propenoic acid
   27808.3165  0.0020 -7.4096 3   95.9503 31  72503 30315 610      14 7 7        s-trans-Propenoic acid
   27918.0263  0.0021 -8.2666 3   83.2258 19  72503 303 9 8 2      10 7 3        s-trans-Propenoic acid
   27918.1874  0.0021 -8.2666 3   83.2258 19  72503 303 9 8 1      10 7 4        s-trans-Propenoic acid
   27918.6743  0.0007 -6.5474 3   73.5536 21  72503 30310 3 7      10 2 8        s-trans-Propenoic acid
   28000.6586  0.0092 -8.1323 3  335.1310 89  72503 30344 935      431232        s-trans-Propenoic acid
   28009.4523  0.1279 -8.3305 3  683.3815109  72503 303543321      553224        s-trans-Propenoic acid
   28009.4523  0.1279 -8.3305 3  683.3815109  72503 303543322      553223        s-trans-Propenoic acid
   28119.6216  0.0021 -7.4264 3   86.1014 27  72503 30313 5 8      12 6 7        s-trans-Propenoic acid
   28146.6674  0.0058 -7.8110 3  139.3141 37  72503 3031813 6      1912 7        s-trans-Propenoic acid
   28146.6677  0.0058 -7.8110 3  139.3141 37  72503 3031813 5      1912 8        s-trans-Propenoic acid
   28151.0340  0.0759 -8.0355 3  499.5165 91  72503 303452817      462720        s-trans-Propenoic acid
   28151.0340  0.0759 -8.0355 3  499.5165 91  72503 303452818      462719        s-trans-Propenoic acid
   28178.5128  0.0020 -7.4570 3   77.7277 23  72503 30311 4 7      10 5 6        s-trans-Propenoic acid
   28223.7591  0.0401 -7.8337 3  347.5065 73  72503 303362313      372216        s-trans-Propenoic acid
   28223.7591  0.0401 -7.8337 3  347.5065 73  72503 303362314      372215        s-trans-Propenoic acid
   28227.0639  0.0177 -7.7429 3  227.4209 55  72503 3032718 9      281712        s-trans-Propenoic acid
   28227.0639  0.0177 -7.7429 3  227.4209 55  72503 303271810      281711        s-trans-Propenoic acid
   28348.8323  0.0088 -8.0904 3  302.0606 83  72503 30341 932      401229        s-trans-Propenoic acid
   28383.9304  0.0027 -7.7524 3   85.3614 29  72503 30314 312      13 4 9        s-trans-Propenoic acid
   28409.7846  0.0013 -7.4561 3   65.3950 15  72503 303 7 2 5       6 3 4        s-trans-Propenoic acid
   28438.2913  0.0004 -6.4476 3   59.4733  9  72503 303 4 0 4       3 0 3        s-trans-Propenoic acid
   28462.8227  0.0072 -8.3119 3  313.0151 85  72503 303421033      43 736        s-trans-Propenoic acid
   28493.7399  0.0013 -7.5026 3   75.7704 23  72503 30311 3 9      10 4 6        s-trans-Propenoic acid
   28654.4409  0.0048 -8.2806 3  136.1300 47  72503 30323 618      24 321        s-trans-Propenoic acid
   28672.3324  0.0672 -7.5262 3  652.2257127  72503 303631845      631846        s-trans-Propenoic acid
   28689.4872  0.0030 -6.9294 3  107.5001 37  72503 30318 513      18 514        s-trans-Propenoic acid
   28707.3188  0.0008 -8.2054 3   59.4733  7  72503 303 3 2 2       3 0 3        s-trans-Propenoic acid
   28776.8742  0.0017 -7.4618 3   70.8266 19  72503 303 9 3 6       8 4 5        s-trans-Propenoic acid
   28828.4962  0.0021 -7.3771 3   95.9494 31  72503 30315 6 9      14 7 8        s-trans-Propenoic acid
   28933.1210  0.0015 -7.2260 3   69.9422 19  72503 303 9 2 7       9 2 8        s-trans-Propenoic acid
   29018.4420  0.0370 -7.6965 3  419.5339 89  72503 303442222      432321        s-trans-Propenoic acid
   29018.4420  0.0370 -7.6965 3  419.5339 89  72503 303442223      432320        s-trans-Propenoic acid
   29055.1864  0.0154 -7.4924 3  283.4749 71  72503 303351719      341816        s-trans-Propenoic acid
   29055.1877  0.0154 -7.4924 3  283.4749 71  72503 303351718      341817        s-trans-Propenoic acid
   29067.9796  0.0716 -7.9769 3  587.4869107  72503 303532726      522825        s-trans-Propenoic acid
   29067.9796  0.0716 -7.9769 3  587.4869107  72503 303532727      522824        s-trans-Propenoic acid
   29112.3806  0.2597 -8.2171 3 1035.5803163  72503 303812358      812359        s-trans-Propenoic acid
   29214.9685  0.0042 -6.8589 3  177.1601 57  72503 30328 820      28 821        s-trans-Propenoic acid
   29227.7438  0.0045 -7.3687 3  179.3719 53  72503 303261215      251312        s-trans-Propenoic acid
   29228.6493  0.0045 -7.3687 3  179.3719 53  72503 303261214      251313        s-trans-Propenoic acid
   29414.6747  0.0010 -6.8176 3   64.4529 13  72503 303 6 3 3       6 2 4        s-trans-Propenoic acid
   29621.8555  0.0021 -7.3336 3  107.2725 35  72503 30317 711      16 8 8        s-trans-Propenoic acid
   29657.3769  0.1162 -8.2167 3  641.3460105  72503 303523220      533123        s-trans-Propenoic acid
   29657.3769  0.1162 -8.2167 3  641.3460105  72503 303523221      533122        s-trans-Propenoic acid
   29702.3907  0.0046 -7.8313 3  124.6410 33  72503 3031612 5      1711 6        s-trans-Propenoic acid
   29702.3914  0.0046 -7.8313 3  124.6410 33  72503 3031612 4      1711 7        s-trans-Propenoic acid
   29781.5844  0.0676 -7.9422 3  464.3008 87  72503 303432716      442619        s-trans-Propenoic acid
   29781.5844  0.0676 -7.9422 3  464.3008 87  72503 303432717      442618        s-trans-Propenoic acid
   29798.0389  0.0054 -8.2149 3  172.6349 57  72503 30328 722      29 425        s-trans-Propenoic acid
   29816.9204  0.0146 -7.7053 3  205.8896 51  72503 3032517 8      261611        s-trans-Propenoic acid
   29816.9204  0.0146 -7.7053 3  205.8896 51  72503 3032517 9      261610        s-trans-Propenoic acid
   29835.8913  0.0347 -7.7643 3  319.1267 69  72503 303342212      352115        s-trans-Propenoic acid
   29835.8913  0.0347 -7.7643 3  319.1267 69  72503 303342213      352114        s-trans-Propenoic acid
   29874.4066  0.0004 -6.5222 3   60.4308  9  72503 303 4 2 3       3 2 2        s-trans-Propenoic acid
   29886.5329  0.0067 -8.2505 3  266.4414 77  72503 30338 830      39 733        s-trans-Propenoic acid
   30019.0592  0.0021 -7.3217 3  107.2722 35  72503 30317 710      16 8 9        s-trans-Propenoic acid
   30029.1235  0.0015 -7.3629 3   80.5582 25  72503 30312 4 9      11 5 6        s-trans-Propenoic acid
   30068.0014  0.0370 -7.2796 3  528.3471113  72503 303561640      561641        s-trans-Propenoic acid
   30137.7530  0.0026 -6.9580 3   92.2169 31  72503 30315 411      15 412        s-trans-Propenoic acid
   30143.4341  0.0008 -7.8636 3   60.4219  9  72503 303 4 2 3       4 0 4        s-trans-Propenoic acid
   30289.6734  0.0088 -8.0405 3  323.8487 87  72503 30343 934      421231        s-trans-Propenoic acid
   30316.8574  0.0004 -6.7446 3   61.5958  9  72503 303 4 3 2       3 3 1        s-trans-Propenoic acid
   30330.2360  0.0020 -7.0475 3   79.6949 25  72503 30312 3 9      12 310        s-trans-Propenoic acid
   30405.5373  0.0004 -6.7420 3   61.5963  9  72503 303 4 3 1       3 3 0        s-trans-Propenoic acid
   30484.0770  0.0062 -8.2303 3  179.8132 59  72503 30329 623      30 526        s-trans-Propenoic acid
   30538.9709  0.0087 -8.0216 3  312.8229 85  72503 30342 933      411230        s-trans-Propenoic acid
   30688.1868  0.0427 -7.6973 3  452.8846 93  72503 303462323      452422        s-trans-Propenoic acid
   30688.1868  0.0427 -7.6973 3  452.8846 93  72503 303462324      452421        s-trans-Propenoic acid
   30716.0787  0.0187 -7.4752 3  309.9855 75  72503 303371820      361917        s-trans-Propenoic acid
   30716.0792  0.0187 -7.4752 3  309.9855 75  72503 303371819      361918        s-trans-Propenoic acid
   30746.6786  0.0803 -7.9946 3  627.6630111  72503 303552827      542926        s-trans-Propenoic acid
   30746.6786  0.0803 -7.9946 3  627.6630111  72503 303552828      542925        s-trans-Propenoic acid
   30782.7811  0.0054 -6.8637 3  243.2690 71  72503 303351025      351026        s-trans-Propenoic acid
   30797.5979  0.0016 -7.4797 3   78.6676 25  72503 30312 310      11 4 7        s-trans-Propenoic acid
   30815.0551  0.0021 -7.5650 3   81.8644 27  72503 30313 311      12 4 8        s-trans-Propenoic acid
   30872.6743  0.0059 -7.3320 3  199.0303 57  72503 303281316      271413        s-trans-Propenoic acid
   30872.9790  0.0059 -7.3320 3  199.0303 57  72503 303281315      271414        s-trans-Propenoic acid
   30957.5520  0.0008 -7.0474 3   61.6331 11  72503 303 5 2 4       5 1 5        s-trans-Propenoic acid
   30999.3452  0.0187 -7.0834 3  418.8812 99  72503 303491435      491436        s-trans-Propenoic acid
   31044.2382  0.0005 -6.8915 3   59.4733  9  72503 303 4 1 4       3 0 3        s-trans-Propenoic acid
   31235.7672  0.0010 -6.4446 3   76.4209 23  72503 30311 3 8      11 2 9        s-trans-Propenoic acid
   31241.8925  0.0036 -7.8814 3  111.4422 29  72503 3031411 4      1510 5        s-trans-Propenoic acid
   31241.8945  0.0036 -7.8814 3  111.4422 29  72503 3031411 3      1510 6        s-trans-Propenoic acid
   31296.8878  0.0021 -7.2724 3  120.0698 39  72503 30319 812      18 9 9        s-trans-Propenoic acid
   31300.1806  0.1053 -8.1100 3  600.7743101  72503 303503119      513022        s-trans-Propenoic acid
   31300.1806  0.1053 -8.1100 3  600.7743101  72503 303503120      513021        s-trans-Propenoic acid
   31301.7845  0.0092 -6.9424 3  323.8487 85  72503 303421230      421231        s-trans-Propenoic acid
   31397.4659  0.0119 -7.6806 3  185.8310 47  72503 3032316 7      241510        s-trans-Propenoic acid
   31397.4659  0.0119 -7.6806 3  185.8310 47  72503 3032316 8      2415 9        s-trans-Propenoic acid
   31406.5083  0.0600 -7.8567 3  430.5526 83  72503 303412615      422518        s-trans-Propenoic acid
   31406.5083  0.0600 -7.8567 3  430.5526 83  72503 303412616      422517        s-trans-Propenoic acid
   31413.2221  0.0010 -6.8985 3   62.8393 11  72503 303 5 3 2       5 2 3        s-trans-Propenoic acid
   31424.1704  0.1700 -7.8593 3  874.8415149  72503 303742153      742154        s-trans-Propenoic acid
   31441.2789  0.0298 -7.7040 3  292.2172 65  72503 303322111      332014        s-trans-Propenoic acid
   31441.2789  0.0298 -7.7040 3  292.2172 65  72503 303322112      332013        s-trans-Propenoic acid
   31445.2710  0.0022 -7.2682 3  120.0697 39  72503 30319 811      18 910        s-trans-Propenoic acid
   31445.2822  0.0005 -6.4765 3   60.4591  9  72503 303 4 2 2       3 2 1        s-trans-Propenoic acid
   31486.2123  0.0058 -8.1725 3  216.0730 67  72503 30333 826      34 529        s-trans-Propenoic acid
   31712.6007  0.0136 -8.1170 3  400.5798 99  72503 303491039      481336        s-trans-Propenoic acid
   31759.1345  0.0012 -6.6164 3   69.8479 19  72503 303 9 2 7       9 1 8        s-trans-Propenoic acid
   31870.7828  0.0035 -8.0538 3  101.0706 35  72503 30317 413      16 610        s-trans-Propenoic acid
   32114.6653  0.0005 -6.7733 3   60.5088 11  72503 303 5 0 5       4 1 4        s-trans-Propenoic acid
   32162.4954  0.0005 -6.3619 3   59.8575  9  72503 303 4 1 3       3 1 2        s-trans-Propenoic acid
   32359.9370  0.0489 -7.7045 3  487.7033 97  72503 303482424      472523        s-trans-Propenoic acid
   32359.9370  0.0489 -7.7045 3  487.7033 97  72503 303482425      472522        s-trans-Propenoic acid
   32378.7689  0.0225 -7.4649 3  337.9668 79  72503 303391921      382018        s-trans-Propenoic acid
   32378.7690  0.0225 -7.4649 3  337.9668 79  72503 303391920      382019        s-trans-Propenoic acid
   32427.7747  0.0896 -8.0185 3  669.3034115  72503 303572928      563027        s-trans-Propenoic acid
   32427.7747  0.0896 -8.0185 3  669.3034115  72503 303572929      563026        s-trans-Propenoic acid
   32520.6268  0.0076 -7.3028 3  220.1618 61  72503 303301417      291514        s-trans-Propenoic acid
   32520.7285  0.0076 -7.3028 3  220.1618 61  72503 303301416      291515        s-trans-Propenoic acid
   32550.0112  0.0008 -7.6171 3   61.5800 11  72503 303 5 2 4       5 0 5        s-trans-Propenoic acid
   32657.6574  0.0078 -7.8468 3  175.9470 59  72503 30329 624      28 721        s-trans-Propenoic acid
   32761.6567  0.0029 -7.9752 3   99.7179 25  72503 3031210 3      13 9 4        s-trans-Propenoic acid
   32761.6620  0.0029 -7.9751 3   99.7179 25  72503 3031210 2      13 9 5        s-trans-Propenoic acid
   32795.3583  0.0180 -8.0879 3  369.7688 95  72503 303471038      461135        s-trans-Propenoic acid
   32919.2490  0.0012 -7.3800 3   64.5249 15  72503 303 7 1 6       7 1 7        s-trans-Propenoic acid
   32924.3978  0.0023 -7.2215 3  134.3420 43  72503 30321 913      201010        s-trans-Propenoic acid
   32937.6961  0.0950 -8.0103 3  561.6673 97  72503 303483018      492921        s-trans-Propenoic acid
   32937.6961  0.0950 -8.0103 3  561.6673 97  72503 303483019      492920        s-trans-Propenoic acid
   32967.4443  0.0096 -7.6707 3  167.2456 43  72503 3032115 6      2214 9        s-trans-Propenoic acid
   32967.4443  0.0096 -7.6707 3  167.2456 43  72503 3032115 7      2214 8        s-trans-Propenoic acid
   32978.2197  0.0023 -7.2201 3  134.3420 43  72503 30321 912      201011        s-trans-Propenoic acid
   32987.5164  0.0041 -6.7792 3  152.8035 51  72503 30325 718      25 719        s-trans-Propenoic acid
   33025.5065  0.0529 -7.7789 3  398.2726 79  72503 303392514      402417        s-trans-Propenoic acid
   33025.5065  0.0529 -7.7789 3  398.2726 79  72503 303392515      402416        s-trans-Propenoic acid
   33039.3479  0.0254 -7.6532 3  266.7788 61  72503 303302010      311913        s-trans-Propenoic acid
   33039.3479  0.0254 -7.6532 3  266.7788 61  72503 303302011      311912        s-trans-Propenoic acid
   33040.6262  0.0043 -8.0792 3  108.4571 39  72503 30319 316      18 513        s-trans-Propenoic acid
   33053.1197  0.0010 -7.0248 3   61.5080  9  72503 303 4 3 1       4 2 2        s-trans-Propenoic acid
   33370.2476  0.0126 -8.0070 3  340.1543 89  72503 303441034      431331        s-trans-Propenoic acid
   33407.9521  0.0012 -6.8956 3   64.5086 15  72503 303 7 1 6       7 0 7        s-trans-Propenoic acid
   33459.0857  0.0227 -8.1878 3  473.0046109  72503 303541143      531440        s-trans-Propenoic acid
   33521.3275  0.1044 -7.5454 3  728.4528135  72503 303671948      671949        s-trans-Propenoic acid
   33590.8174  0.0062 -8.1508 3  266.4407 77  72503 30338 930      39 633        s-trans-Propenoic acid
   33707.1245  0.0005 -6.2152 3   60.5088 11  72503 303 5 1 5       4 1 4        s-trans-Propenoic acid
   33793.1082  0.0018 -7.2128 3   89.4342 29  72503 30314 510      13 6 7        s-trans-Propenoic acid
   33805.7023  0.0100 -7.9140 3  261.3706 77  72503 30338 831      37 928        s-trans-Propenoic acid
   34033.7382  0.0557 -7.7179 3  523.9892101  72503 303502525      492624        s-trans-Propenoic acid
   34033.7382  0.0557 -7.7179 3  523.9892101  72503 303502526      492623        s-trans-Propenoic acid
   34043.2692  0.0267 -7.4610 3  367.4185 83  72503 303412022      402119        s-trans-Propenoic acid
   34043.2693  0.0267 -7.4610 3  367.4185 83  72503 303412021      402120        s-trans-Propenoic acid
   34092.8646  0.0010 -7.2690 3   60.4591  7  72503 303 3 3 0       3 2 1        s-trans-Propenoic acid
   34111.3136  0.0996 -8.0483 3  712.4073119  72503 303593029      583128        s-trans-Propenoic acid
   34111.3136  0.0996 -8.0483 3  712.4073119  72503 303593030      583127        s-trans-Propenoic acid
   34171.3186  0.0097 -7.2804 3  242.7660 65  72503 303321518      311615        s-trans-Propenoic acid
   34171.3524  0.0097 -7.2804 3  242.7660 65  72503 303321517      311616        s-trans-Propenoic acid
   34256.9993  0.0025 -8.1433 3   89.4683 21  72503 30310 9 2      11 8 3        s-trans-Propenoic acid
   34257.0122  0.0025 -8.1433 3   89.4683 21  72503 30310 9 1      11 8 4        s-trans-Propenoic acid
   34341.2689  0.0051 -8.1621 3  142.0582 49  72503 30324 619      25 322        s-trans-Propenoic acid
   34377.4232  0.0021 -7.8813 3   90.7149 31  72503 30315 312      14 5 9        s-trans-Propenoic acid
   34525.2923  0.0076 -7.6783 3  150.1336 39  72503 3031914 5      2013 8        s-trans-Propenoic acid
   34525.2923  0.0076 -7.6783 3  150.1336 39  72503 3031914 6      2013 7        s-trans-Propenoic acid
   34540.9512  0.0026 -7.1791 3  150.0886 47  72503 303231014      221111        s-trans-Propenoic acid
   34560.0467  0.0026 -7.1786 3  150.0886 47  72503 303231013      221112        s-trans-Propenoic acid
   34569.7287  0.0854 -7.9175 3  524.0257 93  72503 303462917      472820        s-trans-Propenoic acid
   34569.7287  0.0854 -7.9175 3  524.0257 93  72503 303462918      472819        s-trans-Propenoic acid
   34629.4094  0.0215 -7.6126 3  242.8118 57  72503 3032819 9      291812        s-trans-Propenoic acid
   34629.4094  0.0215 -7.6126 3  242.8118 57  72503 303281910      291811        s-trans-Propenoic acid
   34638.2268  0.0465 -7.7089 3  367.4614 75  72503 303372413      382316        s-trans-Propenoic acid
   34638.2268  0.0465 -7.7089 3  367.4614 75  72503 303372414      382315        s-trans-Propenoic acid
   34650.3440  0.0046 -7.6356 3  108.4571 39  72503 30319 416      18 513        s-trans-Propenoic acid
   34700.4285  0.0062 -8.1026 3  138.6633 49  72503 30324 420      23 617        s-trans-Propenoic acid
   34709.5557  0.0010 -6.3102 3   80.7066 25  72503 30312 4 8      12 3 9        s-trans-Propenoic acid
   34720.6122  0.0005 -6.1815 3   60.4219 11  72503 303 5 0 5       4 0 4        s-trans-Propenoic acid
   34766.7197  0.0062 -8.1248 3  224.5001 69  72503 30334 727      35 630        s-trans-Propenoic acid
   34783.2521  0.0008 -6.9966 3   62.6658 13  72503 303 6 1 5       5 2 4        s-trans-Propenoic acid
   34825.8488  0.0008 -6.2665 3   84.1998 27  72503 30313 4 9      13 310        s-trans-Propenoic acid
   34925.9308  0.0010 -7.2548 3   60.4308  7  72503 303 3 3 1       3 2 2        s-trans-Propenoic acid
   35041.3024  0.0009 -6.9075 3   62.9727 13  72503 303 6 2 5       6 1 6        s-trans-Propenoic acid
   35262.7177  0.0007 -7.0528 3   58.5038  5  72503 303 2 2 1       1 1 0        s-trans-Propenoic acid
   35278.8544  0.0596 -7.2774 3  596.4402121  72503 303601743      601744        s-trans-Propenoic acid
   35368.3816  0.0009 -6.9870 3   61.4273  9  72503 303 4 3 2       4 2 3        s-trans-Propenoic acid
   35418.4651  0.0046 -7.9845 3  117.8650 41  72503 30320 515      19 712        s-trans-Propenoic acid
   35624.7792  0.0051 -6.7400 3  212.6071 65  72503 30332 923      32 924        s-trans-Propenoic acid
   35709.6034  0.0314 -7.4632 3  398.3398 87  72503 303432122      422221        s-trans-Propenoic acid
   35709.6034  0.0314 -7.4632 3  398.3398 87  72503 303432123      422220        s-trans-Propenoic acid
   35709.6395  0.0631 -7.7371 3  561.7416105  72503 303522626      512725        s-trans-Propenoic acid
   35709.6395  0.0631 -7.7371 3  561.7416105  72503 303522627      512724        s-trans-Propenoic acid
   35766.1499  0.0064 -7.6872 3  138.6633 49  72503 30324 520      23 617        s-trans-Propenoic acid
   35797.3438  0.1102 -8.0838 3  756.9738123  72503 303613130      603229        s-trans-Propenoic acid
   35797.3438  0.1102 -8.0838 3  756.9738123  72503 303613131      603228        s-trans-Propenoic acid
   35824.5151  0.0122 -7.2647 3  266.8424 69  72503 303341619      331716        s-trans-Propenoic acid
   35824.5262  0.0122 -7.2647 3  266.8424 69  72503 303341618      331717        s-trans-Propenoic acid
   35946.8682  0.0009 -7.4272 3   62.9425 13  72503 303 6 2 5       6 0 6        s-trans-Propenoic acid
   36018.1793  0.0073 -8.0965 3  184.8283 59  72503 30329 821      281018        s-trans-Propenoic acid
   36069.0476  0.0060 -7.7079 3  134.4954 35  72503 3031713 5      1812 6        s-trans-Propenoic acid
   36069.0477  0.0060 -7.7079 3  134.4954 35  72503 3031713 4      1812 7        s-trans-Propenoic acid
   36071.7872  0.1287 -8.1132 3  669.4409107  72503 303533320      543223        s-trans-Propenoic acid
   36071.7872  0.1287 -8.1132 3  669.4409107  72503 303533321      543222        s-trans-Propenoic acid
   36100.2767  0.0126 -7.9698 3  387.9858 97  72503 303481038      471335        s-trans-Propenoic acid
   36118.3831  0.0012 -6.3386 3   77.4628 23  72503 30311 4 7      11 3 8        s-trans-Propenoic acid
   36159.3584  0.0033 -7.1440 3  167.3094 51  72503 303251115      241212        s-trans-Propenoic acid
   36166.0176  0.0033 -7.1439 3  167.3094 51  72503 303251114      241213        s-trans-Propenoic acid
   36184.8799  0.0039 -6.7350 3  131.1957 45  72503 30322 616      22 617        s-trans-Propenoic acid
   36196.0510  0.0765 -7.8316 3  487.8504 89  72503 303442816      452719        s-trans-Propenoic acid
   36196.0510  0.0765 -7.8316 3  487.8504 89  72503 303442817      452718        s-trans-Propenoic acid
   36202.6582  0.0055 -8.0856 3  179.8122 59  72503 30329 723      30 426        s-trans-Propenoic acid
   36209.9375  0.0009 -6.8245 3   62.6658 11  72503 303 5 3 3       5 2 4        s-trans-Propenoic acid
   36210.6341  0.0180 -7.5829 3  220.3168 53  72503 3032618 8      271711        s-trans-Propenoic acid
   36210.6341  0.0180 -7.5829 3  220.3168 53  72503 3032618 9      271710        s-trans-Propenoic acid
   36244.2545  0.0405 -7.6470 3  338.1196 71  72503 303352312      362215        s-trans-Propenoic acid
   36244.2545  0.0405 -7.6470 3  338.1196 71  72503 303352313      362214        s-trans-Propenoic acid
   36313.0714  0.0006 -6.6409 3   60.4219 11  72503 303 5 1 5       4 0 4        s-trans-Propenoic acid
   36331.0839  0.0014 -6.3294 3   79.4947 25  72503 30312 3 9      12 210        s-trans-Propenoic acid
   36359.9965  0.2503 -7.9153 3  963.7791157  72503 303782256      782257        s-trans-Propenoic acid
   36379.8086  0.0020 -7.1221 3   99.7890 33  72503 30316 611      15 7 8        s-trans-Propenoic acid
   36387.9545  0.0201 -8.0111 3  380.9957 95  72503 303471136      461433        s-trans-Propenoic acid
   36442.7814  0.0015 -7.1627 3   83.6572 27  72503 30313 410      12 5 7        s-trans-Propenoic acid
   36549.8498  0.0312 -7.0581 3  478.8280107  72503 303531538      531539        s-trans-Propenoic acid
   36710.3928  0.0007 -7.0609 3   58.4613  5  72503 303 2 2 0       1 1 1        s-trans-Propenoic acid
   36804.3675  0.0009 -6.2028 3   87.9240 29  72503 30314 410      14 311        s-trans-Propenoic acid
   36930.3375  0.0077 -6.7824 3  286.8916 79  72503 303391128      391129        s-trans-Propenoic acid
   37047.7480  0.0334 -8.0948 3  424.5851101  72503 303501238      491535        s-trans-Propenoic acid
   37063.9601  0.0017 -7.0375 3   72.3173 21  72503 30310 2 8      10 2 9        s-trans-Propenoic acid
   37127.1893  0.0005 -6.1905 3   61.4273 11  72503 303 5 2 4       4 2 3        s-trans-Propenoic acid
   37164.8385  0.0152 -6.8913 3  375.6383 93  72503 303461333      461334        s-trans-Propenoic acid
   37183.9455  0.0056 -7.9784 3  137.4230 47  72503 30323 617      22 814        s-trans-Propenoic acid
   37306.7982  0.0065 -8.0190 3  159.7443 53  72503 30326 719      25 916        s-trans-Propenoic acid
   37377.8040  0.0365 -7.4713 3  430.7301 91  72503 303452223      442322        s-trans-Propenoic acid
   37377.8040  0.0365 -7.4713 3  430.7301 91  72503 303452224      442321        s-trans-Propenoic acid
   37387.6925  0.0711 -7.7619 3  600.9596109  72503 303542727      532826        s-trans-Propenoic acid
   37387.6925  0.0711 -7.7619 3  600.9596109  72503 303542728      532825        s-trans-Propenoic acid
   37480.0427  0.0151 -7.2551 3  292.3905 73  72503 303361720      351817        s-trans-Propenoic acid
   37480.0464  0.0151 -7.2551 3  292.3905 73  72503 303361719      351818        s-trans-Propenoic acid
   37577.0907  0.0009 -6.6993 3   64.1416 13  72503 303 6 3 4       6 2 5        s-trans-Propenoic acid
   37596.2254  0.0047 -7.7671 3  120.3312 31  72503 3031512 4      1611 5        s-trans-Propenoic acid
   37596.2256  0.0047 -7.7671 3  120.3312 31  72503 3031512 3      1611 6        s-trans-Propenoic acid
   37711.5289  0.1170 -8.0131 3  627.9116103  72503 303513219      523122        s-trans-Propenoic acid
   37711.5289  0.1170 -8.0131 3  627.9116103  72503 303513220      523121        s-trans-Propenoic acid
   37782.0183  0.0149 -7.5656 3  199.2942 49  72503 3032417 7      251610        s-trans-Propenoic acid
   37782.0183  0.0149 -7.5656 3  199.2942 49  72503 3032417 8      2516 9        s-trans-Propenoic acid
   37783.1887  0.0043 -7.1158 3  186.0039 55  72503 303271216      261313        s-trans-Propenoic acid
   37785.4791  0.0043 -7.1157 3  186.0039 55  72503 303271215      261314        s-trans-Propenoic acid
   37816.3987  0.0682 -7.7526 3  453.1420 85  72503 303422715      432618        s-trans-Propenoic acid
   37816.3987  0.0682 -7.7526 3  453.1420 85  72503 303422716      432617        s-trans-Propenoic acid
   37843.1007  0.0351 -7.5935 3  310.2479 67  72503 303332211      342114        s-trans-Propenoic acid
   37843.1007  0.0351 -7.5935 3  310.2479 67  72503 303332212      342113        s-trans-Propenoic acid
   37897.2068  0.0005 -6.5441 3   64.2242 11  72503 303 5 4 2       4 4 1        s-trans-Propenoic acid
   37905.6799  0.0005 -6.5439 3   64.2242 11  72503 303 5 4 1       4 4 0        s-trans-Propenoic acid
   37915.2269  0.0119 -7.8802 3  351.7153 91  72503 303451035      441332        s-trans-Propenoic acid
   37968.7452  0.0005 -6.2895 3   62.6071 11  72503 303 5 3 3       4 3 2        s-trans-Propenoic acid
   38249.3939  0.0034 -7.8477 3  103.5707 37  72503 30318 315      17 512        s-trans-Propenoic acid
   38270.8458  0.0006 -6.2826 3   62.6106 11  72503 303 5 3 2       4 3 1        s-trans-Propenoic acid
   38361.8273  0.0021 -7.0605 3  111.6204 37  72503 30318 712      17 8 9        s-trans-Propenoic acid
   38417.9621  0.0058 -8.0401 3  224.4995 69  72503 30334 827      35 530        s-trans-Propenoic acid
   38485.7606  0.0035 -6.7290 3  112.3385 39  72503 30319 514      19 515        s-trans-Propenoic acid
   38491.0957  0.0023 -7.0701 3   99.7867 33  72503 30316 610      15 7 9        s-trans-Propenoic acid
   38537.3211  0.0014 -6.3598 3   74.4849 21  72503 30310 4 6      10 3 7        s-trans-Propenoic acid
   38583.2632  0.0023 -7.0863 3   89.4279 29  72503 30314 5 9      13 6 8        s-trans-Propenoic acid
   38631.1189  0.0064 -8.0696 3  276.1167 79  72503 30339 831      40 734        s-trans-Propenoic acid
   38727.9909  0.0015 -6.4701 3   72.2618 21  72503 30310 2 8      10 1 9        s-trans-Propenoic acid
   38859.7094  0.1579 -7.5820 3  809.2771143  72503 303712051      712052        s-trans-Propenoic acid
   38862.0651  0.0119 -7.8784 3  375.6383 95  72503 303471037      461334        s-trans-Propenoic acid
   39047.9103  0.0422 -7.4850 3  464.5888 95  72503 303472324      462423        s-trans-Propenoic acid
   39047.9103  0.0422 -7.4850 3  464.5888 95  72503 303472325      462422        s-trans-Propenoic acid
   39067.9512  0.0797 -7.7922 3  641.6426113  72503 303562828      552927        s-trans-Propenoic acid
   39067.9512  0.0797 -7.7922 3  641.6426113  72503 303562829      552926        s-trans-Propenoic acid
   39103.6508  0.0038 -7.8702 3  107.6413 27  72503 3031311 3      1410 4        s-trans-Propenoic acid
   39103.6512  0.0038 -7.8702 3  107.6413 27  72503 3031311 2      1410 5        s-trans-Propenoic acid
   39132.3047  0.0020 -7.7274 3   94.6932 33  72503 30316 313      15 510        s-trans-Propenoic acid
   39137.7813  0.0184 -7.2515 3  319.4099 77  72503 303381821      371918        s-trans-Propenoic acid
   39137.7825  0.0184 -7.2515 3  319.4099 77  72503 303381820      371919        s-trans-Propenoic acid
   39197.0762  0.0023 -6.8606 3   82.8923 27  72503 30313 310      13 311        s-trans-Propenoic acid
   39220.9160  0.0022 -7.0404 3  111.6195 37  72503 30318 711      17 810        s-trans-Propenoic acid
   39254.0078  0.0006 -6.4845 3   61.6331 13  72503 303 6 0 6       5 1 5        s-trans-Propenoic acid
   39298.0429  0.0271 -7.9984 3  425.8208103  72503 303511141      501238        s-trans-Propenoic acid
   39342.3412  0.0122 -7.5625 3  179.7444 45  72503 3032216 6      2315 9        s-trans-Propenoic acid
   39342.3412  0.0122 -7.5625 3  179.7444 45  72503 3032216 7      2315 8        s-trans-Propenoic acid
   39345.6920  0.1060 -7.9192 3  587.8464 99  72503 303493118      503021        s-trans-Propenoic acid
   39345.6920  0.1060 -7.9192 3  587.8464 99  72503 303493119      503020        s-trans-Propenoic acid
   39347.9587  0.0060 -8.0510 3  187.1963 61  72503 30330 624      31 527        s-trans-Propenoic acid
   39412.8182  0.0057 -7.0939 3  206.1718 59  72503 303291317      281414        s-trans-Propenoic acid
   39413.5971  0.0057 -7.0939 3  206.1718 59  72503 303291316      281415        s-trans-Propenoic acid
   39430.4636  0.0605 -7.6807 3  419.9013 81  72503 303402614      412517        s-trans-Propenoic acid
   39430.4636  0.0605 -7.6807 3  419.9013 81  72503 303402615      412516        s-trans-Propenoic acid
   39434.1869  0.0302 -7.5488 3  283.8467 63  72503 303312110      322013        s-trans-Propenoic acid
   39434.1869  0.0302 -7.5488 3  283.8467 63  72503 303312111      322012        s-trans-Propenoic acid
   39514.8516  0.0205 -8.0016 3  459.1114107  72503 303531142      521439        s-trans-Propenoic acid
   39570.6728  0.0010 -6.5911 3   65.8497 15  72503 303 7 3 5       7 2 6        s-trans-Propenoic acid
   39583.8212  0.0029 -6.7669 3   96.2356 33  72503 30316 412      16 413        s-trans-Propenoic acid
   39605.8045  0.0117 -7.8450 3  363.5455 93  72503 303461036      451333        s-trans-Propenoic acid
   39651.1127  0.0023 -7.0775 3   80.5418 25  72503 30312 4 8      11 5 7        s-trans-Propenoic acid
   39716.8385  0.0010 -6.7819 3   64.5249 15  72503 303 7 2 6       7 1 7        s-trans-Propenoic acid
   39774.6594  0.0006 -6.0751 3   60.9303 11  72503 303 5 1 4       4 1 3        s-trans-Propenoic acid
   39838.0891  0.0014 -6.9968 3   67.1696 17  72503 303 8 2 6       7 3 5        s-trans-Propenoic acid
   39910.7434  0.0006 -6.1247 3   61.5080 11  72503 303 5 2 3       4 2 2        s-trans-Propenoic acid
   40075.4631  0.0022 -7.0146 3  124.9273 41  72503 30320 813      19 910        s-trans-Propenoic acid
   40159.5735  0.0006 -5.9817 3   61.6331 13  72503 303 6 1 6       5 1 5        s-trans-Propenoic acid
   40203.1909  0.0050 -6.6466 3  184.6887 59  72503 30329 821      29 822        s-trans-Propenoic acid
   40205.5416  0.0010 -7.2724 3   64.5086 15  72503 303 7 2 6       7 0 7        s-trans-Propenoic acid
   40350.2729  0.0014 -7.2098 3   66.2877 17  72503 303 8 1 7       8 1 8        s-trans-Propenoic acid
   40407.2099  0.0022 -7.0072 3  124.9270 41  72503 30320 812      19 911        s-trans-Propenoic acid
   40409.4495  0.0025 -7.7243 3   98.9793 35  72503 30317 314      16 511        s-trans-Propenoic acid
   40600.2278  0.0088 -7.6616 3  211.3536 67  72503 30333 727      32 824        s-trans-Propenoic acid
   40604.2582  0.0014 -6.7393 3   66.2792 17  72503 303 8 1 7       8 0 8        s-trans-Propenoic acid
   40719.9669  0.0484 -7.5041 3  499.9153 99  72503 303492425      482524        s-trans-Propenoic acid
   40719.9669  0.0484 -7.5041 3  499.9153 99  72503 303492426      482523        s-trans-Propenoic acid
   40741.5454  0.0128 -7.7896 3  307.1154 85  72503 30342 934      411031        s-trans-Propenoic acid
   40750.4713  0.0890 -7.8276 3  683.7896117  72503 303582929      573028        s-trans-Propenoic acid
   40750.4713  0.0890 -7.8276 3  683.7896117  72503 303582930      573027        s-trans-Propenoic acid
   40777.4279  0.0019 -7.0414 3   73.1247 21  72503 30310 3 7       9 4 6        s-trans-Propenoic acid
   40788.8580  0.0014 -6.1203 3   91.8616 31  72503 30315 411      15 312        s-trans-Propenoic acid
   40797.6521  0.0221 -7.2536 3  347.8999 81  72503 303401922      392019        s-trans-Propenoic acid
   40797.6525  0.0221 -7.2536 3  347.8999 81  72503 303401921      392020        s-trans-Propenoic acid
   40846.4669  0.0006 -5.9638 3   61.5800 13  72503 303 6 0 6       5 0 5        s-trans-Propenoic acid
   40888.8723  0.0061 -8.0211 3  276.1163 79  72503 30339 931      40 634        s-trans-Propenoic acid
   40890.1089  0.0098 -7.5766 3  161.6677 41  72503 3032015 5      2114 8        s-trans-Propenoic acid
   40890.1089  0.0098 -7.5766 3  161.6677 41  72503 3032015 6      2114 7        s-trans-Propenoic acid
   40974.0742  0.0957 -7.8315 3  549.2461 95  72503 303473017      482920        s-trans-Propenoic acid
   40974.0742  0.0957 -7.8315 3  549.2461 95  72503 303473018      482919        s-trans-Propenoic acid
   40990.3920  0.0038 -7.3641 3  103.5707 37  72503 30318 415      17 512        s-trans-Propenoic acid
   41000.3671  0.0931 -7.2937 3  669.1368129  72503 303641846      641847        s-trans-Propenoic acid
   41016.8273  0.0258 -7.5138 3  258.9165 59  72503 3032920 9      301912        s-trans-Propenoic acid
   41016.8273  0.0258 -7.5138 3  258.9165 59  72503 303292010      301911        s-trans-Propenoic acid
   41037.8866  0.0534 -7.6160 3  388.1289 77  72503 303382513      392416        s-trans-Propenoic acid
   41037.8866  0.0534 -7.6160 3  388.1289 77  72503 303382514      392415        s-trans-Propenoic acid
   41047.7101  0.0074 -7.0780 3  227.8127 63  72503 303311418      301515        s-trans-Propenoic acid
   41047.9725  0.0074 -7.0780 3  227.8127 63  72503 303311417      301516        s-trans-Propenoic acid
   41339.8010  0.0014 -6.3829 3   71.7865 19  72503 303 9 4 5       9 3 6        s-trans-Propenoic acid
   41491.1959  0.0008 -6.8671 3   59.0468  7  72503 303 3 2 2       2 1 1        s-trans-Propenoic acid
   41569.1079  0.0018 -6.9905 3   93.0347 31  72503 30315 511      14 6 8        s-trans-Propenoic acid
   41605.9925  0.0015 -7.0445 3   87.0394 29  72503 30314 411      13 5 8        s-trans-Propenoic acid
   41688.8105  0.0023 -6.9785 3  139.7091 45  72503 30322 914      211011        s-trans-Propenoic acid
   41752.0327  0.0007 -6.4215 3   61.5800 13  72503 303 6 1 6       5 0 5        s-trans-Propenoic acid
   41775.2165  0.3609 -7.9875 3 1057.3026165  72503 303822359      822360        s-trans-Propenoic acid
   41812.3342  0.0023 -6.9759 3  139.7090 45  72503 30322 913      211012        s-trans-Propenoic acid
   42253.4220  0.0010 -6.4919 3   67.7849 17  72503 303 8 3 6       8 2 7        s-trans-Propenoic acid
   42336.9990  0.0029 -7.6833 3  105.5229 37  72503 30318 414      17 611        s-trans-Propenoic acid
   42394.0224  0.0552 -7.5284 3  536.7087103  72503 303512526      502625        s-trans-Propenoic acid
   42394.0224  0.0552 -7.5284 3  536.7087103  72503 303512527      502624        s-trans-Propenoic acid
   42423.4817  0.0079 -7.6125 3  145.0644 37  72503 3031814 4      1913 7        s-trans-Propenoic acid
   42423.4817  0.0079 -7.6125 3  145.0644 37  72503 3031814 5      1913 6        s-trans-Propenoic acid
   42435.3099  0.0989 -7.8680 3  727.3998121  72503 303603030      593129        s-trans-Propenoic acid
   42435.3099  0.0989 -7.8680 3  727.3998121  72503 303603031      593128        s-trans-Propenoic acid
   42459.6082  0.0263 -7.2611 3  377.8600 85  72503 303422023      412120        s-trans-Propenoic acid
   42459.6083  0.0263 -7.2611 3  377.8600 85  72503 303422022      412121        s-trans-Propenoic acid
   42585.8522  0.0066 -6.6500 3  252.6737 73  72503 303361026      361027        s-trans-Propenoic acid
   42590.2057  0.0218 -7.4893 3  235.4580 55  72503 3032719 8      281811        s-trans-Propenoic acid
   42590.2057  0.0218 -7.4893 3  235.4580 55  72503 3032719 9      281810        s-trans-Propenoic acid
   42596.4414  0.0860 -7.7502 3  512.1114 91  72503 303452916      462819        s-trans-Propenoic acid
   42596.4414  0.0860 -7.7502 3  512.1114 91  72503 303452917      462818        s-trans-Propenoic acid
   42627.7594  0.0506 -7.0525 3  543.3836115  72503 303571641      571642        s-trans-Propenoic acid
   42638.2485  0.0469 -7.5588 3  357.8254 73  72503 303362412      372315        s-trans-Propenoic acid
   42638.2485  0.0469 -7.5588 3  357.8254 73  72503 303362413      372314        s-trans-Propenoic acid
   42669.1733  0.0011 -6.0404 3   97.5560 33  72503 30316 511      16 412        s-trans-Propenoic acid
   42687.1915  0.0095 -7.0680 3  250.9261 67  72503 303331519      321616        s-trans-Propenoic acid
   42687.2792  0.0095 -7.0680 3  250.9261 67  72503 303331518      321617        s-trans-Propenoic acid
   42889.6157  0.0056 -7.9784 3  187.1958 61  72503 30330 724      31 427        s-trans-Propenoic acid
   42978.2563  0.0018 -6.2096 3   82.7662 27  72503 30313 310      13 211        s-trans-Propenoic acid
   43079.7780  0.0009 -6.0078 3  102.1337 35  72503 30317 512      17 413        s-trans-Propenoic acid
   43274.7508  0.0026 -6.9498 3  155.9653 49  72503 303241015      231112        s-trans-Propenoic acid
   43319.5231  0.0026 -6.9489 3  155.9653 49  72503 303241014      231113        s-trans-Propenoic acid
   43567.6144  0.0253 -6.8616 3  432.0411101  72503 303501436      501437        s-trans-Propenoic acid
   43625.6854  0.0120 -6.7253 3  335.1310 87  72503 303431231      431232        s-trans-Propenoic acid
   43678.2923  0.0185 -7.8236 3  393.3521 97  72503 303481137      471434        s-trans-Propenoic acid
   43768.9480  0.0054 -7.7942 3  132.4026 47  72503 30323 419      22 616        s-trans-Propenoic acid
   43905.5482  0.0073 -7.8817 3  168.3446 57  72503 30328 523      27 720        s-trans-Propenoic acid
   43937.7581  0.0014 -6.4169 3   69.3775 17  72503 303 8 4 4       8 3 5        s-trans-Propenoic acid
   43940.1789  0.0062 -7.6781 3  129.9349 33  72503 3031613 3      1712 6        s-trans-Propenoic acid
   43940.1789  0.0062 -7.6781 3  129.9349 33  72503 3031613 4      1712 5        s-trans-Propenoic acid
   44070.1288  0.0626 -7.5577 3  574.9683107  72503 303532627      522726        s-trans-Propenoic acid
   44070.1288  0.0626 -7.5577 3  574.9683107  72503 303532628      522725        s-trans-Propenoic acid
   44098.9740  0.0015 -6.0554 3   93.2222 31  72503 30315 510      15 411        s-trans-Propenoic acid
   44109.4347  0.1295 -7.9433 3  655.7590105  72503 303523319      533222        s-trans-Propenoic acid
   44109.4347  0.1295 -7.9433 3  655.7590105  72503 303523320      533221        s-trans-Propenoic acid
   44122.5252  0.1096 -7.9134 3  772.4723125  72503 303623131      613230        s-trans-Propenoic acid
   44122.5252  0.1096 -7.9134 3  772.4723125  72503 303623132      613229        s-trans-Propenoic acid
   44123.6267  0.0309 -7.2739 3  409.2896 89  72503 303442123      432222        s-trans-Propenoic acid
   44123.6267  0.0309 -7.2739 3  409.2896 89  72503 303442124      432221        s-trans-Propenoic acid
   44153.3470  0.0183 -7.4768 3  213.4714 51  72503 3032518 7      261710        s-trans-Propenoic acid
   44153.3470  0.0183 -7.4768 3  213.4714 51  72503 3032518 8      2617 9        s-trans-Propenoic acid
   44197.6852  0.0047 -6.5838 3  159.5144 53  72503 30326 719      26 720        s-trans-Propenoic acid
   44212.5234  0.0771 -7.6754 3  476.4431 87  72503 303432815      442718        s-trans-Propenoic acid
   44212.5234  0.0771 -7.6754 3  476.4431 87  72503 303432816      442717        s-trans-Propenoic acid
   44231.0594  0.0410 -7.5096 3  328.9915 69  72503 303342311      352214        s-trans-Propenoic acid
   44231.0594  0.0410 -7.5096 3  328.9915 69  72503 303342312      352213        s-trans-Propenoic acid
   44243.3239  0.0006 -5.9383 3   62.6658 13  72503 303 6 2 5       5 2 4        s-trans-Propenoic acid
   44330.6775  0.0119 -7.0635 3  275.5116 71  72503 303351620      341717        s-trans-Propenoic acid
   44330.7066  0.0119 -7.0635 3  275.5116 71  72503 303351619      341718        s-trans-Propenoic acid
   44346.9274  0.0187 -7.8640 3  445.4540105  72503 303521141      511438        s-trans-Propenoic acid
   44410.0250  0.0009 -6.6153 3   64.1416 15  72503 303 7 1 6       6 2 5        s-trans-Propenoic acid
   44700.1047  0.2331 -7.6354 3  894.6950151  72503 303752154      752155        s-trans-Propenoic acid
   44860.6850  0.0032 -6.9274 3  173.6956 53  72503 303261116      251213        s-trans-Propenoic acid
   44876.5801  0.0032 -6.9271 3  173.6956 53  72503 303261115      251214        s-trans-Propenoic acid
   44880.1245  0.0021 -6.8966 3  103.8955 35  72503 30317 612      16 7 9        s-trans-Propenoic acid
   44885.4288  0.0012 -6.6682 3   66.2877 17  72503 303 8 2 7       8 1 8        s-trans-Propenoic acid
   44918.4874  0.0029 -7.1676 3   98.9793 35  72503 30317 414      16 511        s-trans-Propenoic acid
   45028.5282  0.0017 -7.0056 3   90.7149 31  72503 30315 412      14 5 9        s-trans-Propenoic acid
   45082.6923  0.0075 -7.4730 3  168.3446 57  72503 30328 623      27 720        s-trans-Propenoic acid
   45139.4141  0.0012 -7.1407 3   66.2792 17  72503 303 8 2 7       8 0 8        s-trans-Propenoic acid
   45393.4750  0.0019 -6.8727 3   74.9068 23  72503 30311 2 9      11 210        s-trans-Propenoic acid
   45437.3553  0.0049 -7.7878 3  116.2793 29  72503 3031412 2      1511 5        s-trans-Propenoic acid
   45437.3553  0.0049 -7.7878 3  116.2793 29  72503 3031412 3      1511 4        s-trans-Propenoic acid
   45451.1632  0.0006 -6.3854 3   67.5672 13  72503 303 6 5 2       5 5 1        s-trans-Propenoic acid
   45451.8471  0.0006 -6.3854 3   67.5672 13  72503 303 6 5 1       5 5 0        s-trans-Propenoic acid
   45592.9480  0.0006 -6.1189 3   65.4883 13  72503 303 6 4 3       5 4 2        s-trans-Propenoic acid
   45608.6549  0.0057 -7.3620 3  132.4026 47  72503 30323 519      22 616        s-trans-Propenoic acid
   45610.4771  0.0006 -5.9854 3   63.8736 13  72503 303 6 3 4       5 3 3        s-trans-Propenoic acid
   45626.2875  0.0013 -5.9548 3  106.9352 37  72503 30318 513      18 414        s-trans-Propenoic acid
   45630.5258  0.0006 -6.1182 3   65.4886 13  72503 303 6 4 2       5 4 1        s-trans-Propenoic acid
   45642.7852  0.0011 -6.3982 3   69.9422 19  72503 303 9 3 7       9 2 8        s-trans-Propenoic acid
   45705.0810  0.0151 -7.4783 3  192.9573 47  72503 3032317 6      2416 9        s-trans-Propenoic acid
   45705.0810  0.0151 -7.4783 3  192.9573 47  72503 3032317 7      2416 8        s-trans-Propenoic acid
   45740.4790  0.1177 -7.8530 3  614.7359101  72503 303503218      513121        s-trans-Propenoic acid
   45740.4790  0.1177 -7.8530 3  614.7359101  72503 303503219      513120        s-trans-Propenoic acid
   45748.3405  0.0705 -7.5919 3  614.6934111  72503 303552728      542827        s-trans-Propenoic acid
   45748.3405  0.0705 -7.5919 3  614.6934111  72503 303552729      542826        s-trans-Propenoic acid
   45789.7029  0.0361 -7.2917 3  442.1881 93  72503 303462224      452323        s-trans-Propenoic acid
   45789.7029  0.0361 -7.2917 3  442.1881 93  72503 303462225      452322        s-trans-Propenoic acid
   45815.7457  0.0355 -7.4690 3  301.6278 65  72503 303322210      332113        s-trans-Propenoic acid
   45815.7457  0.0355 -7.4690 3  301.6278 65  72503 303322211      332112        s-trans-Propenoic acid
   45822.0079  0.0688 -7.6072 3  442.2420 83  72503 303412714      422617        s-trans-Propenoic acid
   45822.0079  0.0688 -7.6072 3  442.2420 83  72503 303412715      422616        s-trans-Propenoic acid
   45947.3205  0.0013 -6.4721 3   67.2612 15  72503 303 7 4 3       7 3 4        s-trans-Propenoic acid
   45977.7109  0.0148 -7.0644 3  301.5687 75  72503 303371721      361818        s-trans-Propenoic acid
   45977.7205  0.0148 -7.0644 3  301.5687 75  72503 303371720      361819        s-trans-Propenoic acid
   46043.3752  0.0007 -6.2580 3   62.9727 15  72503 303 7 0 7       6 1 6        s-trans-Propenoic acid
   46161.1797  0.0008 -6.9111 3   58.9194  7  72503 303 3 2 1       2 1 2        s-trans-Propenoic acid
   46240.5171  0.0022 -7.0468 3   94.6932 33  72503 30316 413      15 510        s-trans-Propenoic acid
   46330.9454  0.0018 -6.3350 3   74.8755 23  72503 30311 2 9      11 110        s-trans-Propenoic acid
   46368.2622  0.0013 -7.3314 3   65.6229 15  72503 303 7 3 5       7 1 6        s-trans-Propenoic acid
   46375.6697  0.0007 -5.9708 3   63.8871 13  72503 303 6 3 3       5 3 2        s-trans-Propenoic acid
   46455.0066  0.0041 -6.9107 3  192.8996 57  72503 303281217      271314        s-trans-Propenoic acid
   46460.5575  0.0041 -6.9106 3  192.8996 57  72503 303281216      271315        s-trans-Propenoic acid
   46532.0783  0.0007 -5.7871 3   62.9727 15  72503 303 7 1 7       6 1 6        s-trans-Propenoic acid
   46692.0336  0.0020 -6.0251 3   95.9985 33  72503 30316 412      16 313        s-trans-Propenoic acid
   46788.5779  0.0012 -7.1466 3   67.6336 17  72503 303 8 3 6       8 1 7        s-trans-Propenoic acid
   46863.9171  0.0017 -6.0592 3   89.1517 29  72503 30314 5 9      14 410        s-trans-Propenoic acid
   46948.9410  0.0007 -5.7781 3   62.9425 15  72503 303 7 0 7       6 0 6        s-trans-Propenoic acid
   47037.1625  0.0014 -7.5581 3   63.8260 13  72503 303 6 3 4       6 1 5        s-trans-Propenoic acid
   47037.2134  0.0007 -5.8511 3   62.2570 13  72503 303 6 1 5       5 1 4        s-trans-Propenoic acid
   47063.9269  0.0008 -6.6972 3   59.8575  9  72503 303 4 2 3       3 1 2        s-trans-Propenoic acid
   47181.3825  0.0022 -6.8406 3  116.2349 39  72503 30319 713      18 810        s-trans-Propenoic acid
   47241.6277  0.1413 -7.3275 3  746.4336137  72503 303681949      681950        s-trans-Propenoic acid
   47243.9974  0.0124 -7.4969 3  173.9160 43  72503 3032116 5      2215 8        s-trans-Propenoic acid
   47243.9974  0.0124 -7.4969 3  173.9160 43  72503 3032116 6      2215 7        s-trans-Propenoic acid
   47266.6221  0.0013 -6.5601 3   65.4341 13  72503 303 6 4 2       6 3 3        s-trans-Propenoic acid
   47292.0015  0.0043 -6.5527 3  137.0858 47  72503 30323 617      23 618        s-trans-Propenoic acid
   47365.4724  0.1067 -7.7686 3  575.1771 97  72503 303483117      493020        s-trans-Propenoic acid
   47365.4724  0.1067 -7.7686 3  575.1771 97  72503 303483118      493019        s-trans-Propenoic acid
   47391.6337  0.0306 -7.4376 3  275.7347 61  72503 3033021 9      312012        s-trans-Propenoic acid
   47391.6337  0.0306 -7.4376 3  275.7347 61  72503 303302110      312011        s-trans-Propenoic acid
   47424.5336  0.0610 -7.5459 3  409.5086 79  72503 303392613      402516        s-trans-Propenoic acid
   47424.5336  0.0610 -7.5459 3  409.5086 79  72503 303392614      402515        s-trans-Propenoic acid
   47428.7140  0.0791 -7.6309 3  655.8831115  72503 303572829      562928        s-trans-Propenoic acid
   47428.7140  0.0791 -7.6309 3  655.8831115  72503 303572830      562927        s-trans-Propenoic acid
   47437.6441  0.0007 -6.2287 3   62.9425 15  72503 303 7 1 7       6 0 6        s-trans-Propenoic acid
   47451.7806  0.0304 -7.8377 3  437.7333103  72503 303511239      501536        s-trans-Propenoic acid
   47457.8460  0.0417 -7.3145 3  476.5547 97  72503 303482325      472424        s-trans-Propenoic acid
   47457.8460  0.0417 -7.3145 3  476.5547 97  72503 303482326      472423        s-trans-Propenoic acid
   47592.7264  0.0174 -7.7717 3  432.0411103  72503 303511140      501437        s-trans-Propenoic acid
   47610.2631  0.0015 -7.0662 3   68.2598 19  72503 303 9 1 8       9 1 9        s-trans-Propenoic acid
   47627.9486  0.0181 -7.0704 3  329.0968 79  72503 303391822      381919        s-trans-Propenoic acid
   47627.9518  0.0181 -7.0704 3  329.0968 79  72503 303391821      381920        s-trans-Propenoic acid
   47634.2466  0.0183 -7.7074 3  357.4861 93  72503 303461037      451134        s-trans-Propenoic acid
   47694.3857  0.0173 -7.7393 3  405.9825 99  72503 303491138      481435        s-trans-Propenoic acid
   47738.6390  0.0015 -6.6062 3   68.2555 19  72503 303 9 1 8       9 0 9        s-trans-Propenoic acid
   47956.2433  0.0060 -6.5450 3  221.1951 67  72503 30333 924      33 925        s-trans-Propenoic acid
   48011.7660  0.0013 -6.7013 3   63.8871 11  72503 303 5 4 1       5 3 2        s-trans-Propenoic acid
   48059.0958  0.0055 -6.8994 3  213.5769 61  72503 303301318      291415        s-trans-Propenoic acid
   48061.0085  0.0055 -6.8994 3  213.5769 61  72503 303301317      291416        s-trans-Propenoic acid
   48374.2171  0.0007 -5.8561 3   62.8393 13  72503 303 6 2 4       5 2 3        s-trans-Propenoic acid
   48376.9320  0.0013 -6.9631 3   62.6106  9  72503 303 4 4 0       4 3 1        s-trans-Propenoic acid
   48389.6913  0.0040 -7.5856 3  123.0938 43  72503 30321 516      20 713        s-trans-Propenoic acid
   48390.4428  0.0013 -6.5440 3   65.3950 13  72503 303 6 4 3       6 3 4        s-trans-Propenoic acid
   48405.6112  0.0101 -7.5324 3  251.3948 75  72503 30337 830      36 927        s-trans-Propenoic acid
   48407.9718  0.0013 -6.6956 3   63.8736 11  72503 303 5 4 2       5 3 3        s-trans-Propenoic acid
   48441.2367  0.0025 -6.6964 3   86.3082 29  72503 30314 311      14 312        s-trans-Propenoic acid
   48463.8988  0.0014 -7.8398 3   62.2570 11  72503 303 5 3 3       5 1 4        s-trans-Propenoic acid
   48468.7986  0.0011 -6.9943 3   69.8479 19  72503 303 9 3 7       9 1 8        s-trans-Propenoic acid
   48479.5103  0.0013 -6.9616 3   62.6071  9  72503 303 4 4 1       4 3 2        s-trans-Propenoic acid
   48524.4312  0.0012 -6.4358 3   67.1696 15  72503 303 7 4 4       7 3 5        s-trans-Propenoic acid
   48684.5294  0.0018 -6.8280 3   96.9110 33  72503 30316 512      15 6 9        s-trans-Propenoic acid
   48768.3874  0.0101 -7.5373 3  156.3478 39  72503 3031915 4      2014 7        s-trans-Propenoic acid
   48768.3874  0.0101 -7.5373 3  156.3478 39  72503 3031915 5      2014 6        s-trans-Propenoic acid
   48851.8413  0.0169 -7.7274 3  418.8812101  72503 303501139      491436        s-trans-Propenoic acid
   48931.6356  0.0024 -6.8071 3  116.2328 39  72503 30319 712      18 811        s-trans-Propenoic acid
   48936.8850  0.0012 -6.3490 3   69.1943 17  72503 303 8 4 5       8 3 6        s-trans-Propenoic acid
   48957.9301  0.0261 -7.4165 3  251.3127 57  72503 3032820 8      291911        s-trans-Propenoic acid
   48957.9301  0.0261 -7.4165 3  251.3127 57  72503 3032820 9      291910        s-trans-Propenoic acid
   48958.8269  0.0025 -6.8143 3  103.8899 35  72503 30317 611      16 710        s-trans-Propenoic acid
   48984.1772  0.0963 -7.6902 3  537.0834 93  72503 303463016      472919        s-trans-Propenoic acid
   48984.1772  0.0963 -7.6902 3  537.0834 93  72503 303463017      472918        s-trans-Propenoic acid
   48995.6072  0.0022 -6.8038 3  130.0507 43  72503 30321 814      20 911        s-trans-Propenoic acid
   49019.6824  0.0539 -7.4918 3  378.2438 75  72503 303372512      382415        s-trans-Propenoic acid
   49019.6824  0.0539 -7.4918 3  378.2438 75  72503 303372513      382414        s-trans-Propenoic acid
   49111.3072  0.0884 -7.6745 3  698.5367119  72503 303592930      583029        s-trans-Propenoic acid
   49111.3072  0.0884 -7.6745 3  698.5367119  72503 303592931      583028        s-trans-Propenoic acid
   49128.0762  0.0479 -7.3421 3  512.3888101  72503 303502426      492525        s-trans-Propenoic acid
   49128.0762  0.0479 -7.3421 3  512.3888101  72503 303502427      492524        s-trans-Propenoic acid
   49194.3556  0.0038 -6.5561 3  117.4055 41  72503 30320 515      20 516        s-trans-Propenoic acid
   49238.2329  0.0796 -7.0655 3  612.5454123  72503 303611744      611745        s-trans-Propenoic acid
   49281.1379  0.0218 -7.0814 3  358.0954 83  72503 303411923      402020        s-trans-Propenoic acid
   49281.1390  0.0218 -7.0814 3  358.0954 83  72503 303411922      402021        s-trans-Propenoic acid
   49649.1225  0.0031 -6.5999 3  100.4776 35  72503 30317 413      17 414        s-trans-Propenoic acid
   49672.1444  0.0072 -6.8934 3  235.7270 65  72503 303321419      311516        s-trans-Propenoic acid
   49672.7961  0.0072 -6.8934 3  235.7270 65  72503 303321418      311517        s-trans-Propenoic acid
   49698.6112  0.0023 -6.7909 3  130.0499 43  72503 30321 813      20 912        s-trans-Propenoic acid
   49709.6436  0.0012 -6.3089 3   72.3173 21  72503 30310 3 8      10 2 9        s-trans-Propenoic acid
   49766.7406  0.0012 -6.2735 3   71.4647 19  72503 303 9 4 6       9 3 7        s-trans-Propenoic acid
   49868.8694  0.0025 -7.4674 3  110.2785 39  72503 30319 415      18 612        s-trans-Propenoic acid
   50090.9886  0.0095 -6.5851 3  297.3590 81  72503 303401129      401130        s-trans-Propenoic acid
   50168.4926  0.0027 -6.8016 3   93.0197 31  72503 30315 510      14 6 9        s-trans-Propenoic acid
   50276.1713  0.0081 -7.6075 3  140.2530 35  72503 3031714 3      1813 6        s-trans-Propenoic acid
   50276.1713  0.0081 -7.6075 3  140.2530 35  72503 3031714 4      1813 5        s-trans-Propenoic acid
   50304.4190  0.0018 -6.0591 3   85.3614 27  72503 30313 5 8      13 4 9        s-trans-Propenoic acid
   50374.0285  0.0019 -5.8840 3  111.9420 39  72503 30319 514      19 415        s-trans-Propenoic acid
   50395.5640  0.0013 -5.8430 3  119.0465 41  72503 30320 614      20 515        s-trans-Propenoic acid
   50417.7568  0.0044 -7.5679 3  126.4176 45  72503 30322 418      21 615        s-trans-Propenoic acid
   50436.2765  0.0014 -6.5650 3   68.2598 19  72503 303 9 2 8       9 1 9        s-trans-Propenoic acid
   50511.1227  0.0412 -6.8519 3  493.0551109  72503 303541539      541540        s-trans-Propenoic acid
   50513.6979  0.0221 -7.4073 3  228.3624 53  72503 3032619 7      271810        s-trans-Propenoic acid
   50513.6979  0.0221 -7.4073 3  228.3624 53  72503 3032619 8      2718 9        s-trans-Propenoic acid
   50564.6524  0.0014 -7.0257 3   68.2555 19  72503 303 9 2 8       9 0 9        s-trans-Propenoic acid
   50596.3204  0.0867 -7.6180 3  500.4555 89  72503 303442915      452818        s-trans-Propenoic acid
   50596.3204  0.0867 -7.6180 3  500.4555 89  72503 303442916      452817        s-trans-Propenoic acid
   50606.9695  0.0474 -7.4454 3  348.4480 71  72503 303352411      362314        s-trans-Propenoic acid
   50606.9695  0.0474 -7.4454 3  348.4480 71  72503 303352412      362313        s-trans-Propenoic acid
   50609.9867  0.0023 -6.7778 3  145.3417 47  72503 30323 915      221012        s-trans-Propenoic acid
   50711.4205  0.0022 -6.0920 3   86.2325 29  72503 30314 311      14 212        s-trans-Propenoic acid
   50796.1794  0.0983 -7.7227 3  742.6532123  72503 303613031      603130        s-trans-Propenoic acid
   50796.1794  0.0983 -7.7227 3  742.6532123  72503 303613032      603129        s-trans-Propenoic acid
   50800.4220  0.0547 -7.3743 3  549.6897105  72503 303522527      512626        s-trans-Propenoic acid
   50800.4220  0.0547 -7.3743 3  549.6897105  72503 303522528      512625        s-trans-Propenoic acid
   50855.1485  0.0103 -7.8281 3  252.3979 73  72503 303361026      351223        s-trans-Propenoic acid
   50865.6308  0.0197 -6.6901 3  387.9858 95  72503 303471334      471335        s-trans-Propenoic acid
   50879.9097  0.0023 -6.7730 3  145.3414 47  72503 30323 914      221013        s-trans-Propenoic acid
   50937.0951  0.0259 -7.0972 3  388.5640 87  72503 303432024      422121        s-trans-Propenoic acid
   50937.0954  0.0259 -7.0972 3  388.5640 87  72503 303432023      422122        s-trans-Propenoic acid
   51051.8367  0.3363 -7.7050 3  984.7024159  72503 303792257      792258        s-trans-Propenoic acid
   51144.1939  0.0012 -6.2037 3   73.9754 21  72503 30310 4 7      10 3 8        s-trans-Propenoic acid
   51207.6144  0.0007 -5.7346 3   64.1416 15  72503 303 7 2 6       6 2 5        s-trans-Propenoic acid
   51256.1228  0.0012 -5.8163 3  124.7079 43  72503 30321 615      21 516        s-trans-Propenoic acid
   51292.8987  0.0092 -6.8924 3  259.3496 69  72503 303341520      331617        s-trans-Propenoic acid
   51293.1187  0.0092 -6.8924 3  259.3496 69  72503 303341519      331618        s-trans-Propenoic acid
   51354.5216  0.0014 -6.6246 3   69.1943 19  72503 303 9 2 7       8 3 6        s-trans-Propenoic acid
   51373.6745  0.0012 -6.8659 3   72.2618 21  72503 30310 3 8      10 1 9        s-trans-Propenoic acid
   51671.2910  0.0017 -5.8512 3  113.6223 39  72503 30319 613      19 514        s-trans-Propenoic acid
   51764.8065  0.0064 -7.7222 3  125.6318 31  72503 3031513 2      1612 5        s-trans-Propenoic acid
   51764.8065  0.0064 -7.7222 3  125.6318 31  72503 3031513 3      1612 4        s-trans-Propenoic acid
   52028.6207  0.0009 -6.5402 3   60.9303 11  72503 303 5 2 4       4 1 3        s-trans-Propenoic acid
   52057.8260  0.0186 -7.4120 3  206.8842 49  72503 3032418 6      2517 9        s-trans-Propenoic acid
   52057.8260  0.0186 -7.4120 3  206.8842 49  72503 3032418 7      2517 8        s-trans-Propenoic acid
   52123.2204  0.1303 -7.8055 3  642.3353103  72503 303513318      523221        s-trans-Propenoic acid
   52123.2204  0.1303 -7.8055 3  642.3353103  72503 303513319      523220        s-trans-Propenoic acid
   52160.2886  0.0025 -6.7591 3  162.1072 51  72503 303251016      241113        s-trans-Propenoic acid
   52185.8319  0.0414 -7.4074 3  320.1219 67  72503 303332310      342213        s-trans-Propenoic acid
   52185.8319  0.0414 -7.4074 3  320.1219 67  72503 303332311      342212        s-trans-Propenoic acid
   52201.5892  0.0777 -7.5522 3  465.2942 85  72503 303422814      432717        s-trans-Propenoic acid
   52201.5892  0.0777 -7.5522 3  465.2942 85  72503 303422815      432716        s-trans-Propenoic acid
   52229.7535  0.0026 -6.7599 3   83.6192 27  72503 30313 4 9      12 5 8        s-trans-Propenoic acid
   52260.5987  0.0025 -6.7573 3  162.1071 51  72503 303251015      241114        s-trans-Propenoic acid
   52430.3177  0.0052 -7.5566 3  143.4284 49  72503 30324 618      23 815        s-trans-Propenoic acid
   52474.9187  0.0621 -7.4111 3  588.4565109  72503 303542628      532727        s-trans-Propenoic acid
   52474.9187  0.0621 -7.4111 3  588.4565109  72503 303542629      532726        s-trans-Propenoic acid
   52483.3909  0.1090 -7.7753 3  788.2317127  72503 303633132      623231        s-trans-Propenoic acid
   52483.3909  0.1090 -7.7753 3  788.2317127  72503 303633133      623230        s-trans-Propenoic acid
   52592.9525  0.0008 -6.0721 3   64.5249 17  72503 303 8 0 8       7 1 7        s-trans-Propenoic acid
   52595.6884  0.0306 -7.1178 3  420.5018 91  72503 303452125      442222        s-trans-Propenoic acid
   52595.6885  0.0306 -7.1178 3  420.5018 91  72503 303452124      442223        s-trans-Propenoic acid
   52712.0027  0.0284 -7.8007 3  507.5333113  72503 303561244      551541        s-trans-Propenoic acid
   52714.6860  0.0055 -6.4671 3  192.4563 61  72503 30330 822      30 823        s-trans-Propenoic acid
   52846.9378  0.0008 -5.6202 3   64.5249 17  72503 303 8 1 8       7 1 7        s-trans-Propenoic acid
   52920.2044  0.0117 -6.8964 3  284.4441 73  72503 303361621      351718        s-trans-Propenoic acid
   52920.2781  0.0117 -6.8964 3  284.4441 73  72503 303361620      351719        s-trans-Propenoic acid
   52937.8311  0.0083 -7.7257 3  202.6649 65  72503 30332 626      31 823        s-trans-Propenoic acid
   53005.1047  0.0007 -6.2550 3   71.6251 15  72503 303 7 6 2       6 6 1        s-trans-Propenoic acid
   53005.1544  0.0007 -6.2550 3   71.6251 15  72503 303 7 6 1       6 6 0        s-trans-Propenoic acid
   53081.6556  0.0008 -5.6159 3   64.5086 17  72503 303 8 0 8       7 0 7        s-trans-Propenoic acid
   53130.5152  0.0021 -6.7179 3  108.2735 37  72503 30318 613      17 710        s-trans-Propenoic acid
   53136.1153  0.0007 -5.9813 3   69.0833 15  72503 303 7 5 3       6 5 2        s-trans-Propenoic acid
   53139.8391  0.0007 -5.9813 3   69.0834 15  72503 303 7 5 2       6 5 1        s-trans-Propenoic acid
   53171.8109  0.0012 -6.1365 3   76.7208 23  72503 30311 4 8      11 3 9        s-trans-Propenoic acid
   53201.1965  0.0007 -5.7518 3   65.3950 15  72503 303 7 3 5       6 3 4        s-trans-Propenoic acid
   53335.1848  0.0007 -5.8356 3   67.0091 15  72503 303 7 4 4       6 4 3        s-trans-Propenoic acid
   53335.6409  0.0008 -6.0586 3   64.5086 17  72503 303 8 1 8       7 0 7        s-trans-Propenoic acid
   53405.2308  0.0021 -6.6923 3   75.6814 23  72503 30311 3 8      10 4 7        s-trans-Propenoic acid
   53432.4801  0.0086 -7.7195 3  221.0125 67  72503 30333 924      321121        s-trans-Propenoic acid
   53457.4103  0.0007 -5.8336 3   67.0107 15  72503 303 7 4 3       6 4 2        s-trans-Propenoic acid
   53480.3723  0.0009 -6.3162 3   65.8497 17  72503 303 8 1 7       7 2 6        s-trans-Propenoic acid
   53513.4980  0.0049 -7.1025 3  126.4176 45  72503 30322 518      21 615        s-trans-Propenoic acid
   53565.6013  0.0020 -6.7308 3   77.7080 25  72503 30312 210      12 211        s-trans-Propenoic acid
   53588.9930  0.0154 -7.4338 3  186.8783 45  72503 3032217 5      2316 8        s-trans-Propenoic acid
   53588.9930  0.0154 -7.4338 3  186.8783 45  72503 3032217 6      2316 7        s-trans-Propenoic acid
   53702.0161  0.0031 -6.7461 3  180.3468 55  72503 303271117      261214        s-trans-Propenoic acid
   53738.3794  0.0031 -6.7455 3  180.3468 55  72503 303271116      261215        s-trans-Propenoic acid
   53745.0994  0.1185 -7.7232 3  601.8184 99  72503 303493217      503120        s-trans-Propenoic acid
   53745.0994  0.1185 -7.7232 3  601.8184 99  72503 303493218      503119        s-trans-Propenoic acid
   53746.3644  0.0018 -6.0626 3   81.8644 25  72503 30312 5 7      12 4 8        s-trans-Propenoic acid
   53755.6147  0.0359 -7.3785 3  293.2660 63  72503 3033122 9      322112        s-trans-Propenoic acid
   53755.6147  0.0359 -7.3785 3  293.2660 63  72503 303312210      322111        s-trans-Propenoic acid
   53799.6241  0.0693 -7.4931 3  431.6002 81  72503 303402713      412616        s-trans-Propenoic acid
   53799.6241  0.0693 -7.4931 3  431.6002 81  72503 303402714      412615        s-trans-Propenoic acid
   53820.6807  0.0025 -7.3869 3  115.3459 41  72503 30320 416      19 613        s-trans-Propenoic acid
   53870.0968  0.0008 -5.6703 3   63.8260 15  72503 303 7 1 6       6 1 5        s-trans-Propenoic acid
   53941.5911  0.0033 -7.4267 3  120.7275 43  72503 30321 417      20 614        s-trans-Propenoic acid
   54008.1589  0.2091 -7.3780 3  828.3273145  72503 303722052      722053        s-trans-Propenoic acid
   54076.0857  0.0019 -6.2146 3   77.6910 25  72503 30312 210      12 111        s-trans-Propenoic acid
   54151.6066  0.0700 -7.4524 3  628.6886113  72503 303562729      552828        s-trans-Propenoic acid
   54151.6066  0.0700 -7.4524 3  628.6886113  72503 303562730      552827        s-trans-Propenoic acid
   54158.1604  0.0024 -5.9245 3  100.3272 35  72503 30317 413      17 314        s-trans-Propenoic acid
   54193.4465  0.0277 -7.7024 3  451.1601105  72503 303521240      511537        s-trans-Propenoic acid
   54195.7260  0.0085 -7.3225 3  202.6649 65  72503 30332 726      31 823        s-trans-Propenoic acid
   54256.8260  0.0357 -7.1430 3  453.9083 95  72503 303472226      462323        s-trans-Propenoic acid
   54256.8261  0.0357 -7.1430 3  453.9083 95  72503 303472225      462324        s-trans-Propenoic acid
   54356.6640  0.0065 -7.5939 3  160.9887 55  72503 30327 522      26 719        s-trans-Propenoic acid
   54383.8692  0.0014 -6.2239 3   74.9068 23  72503 30311 3 9      11 210        s-trans-Propenoic acid
   54489.4978  0.0276 -7.6589 3  412.4792101  72503 303501140      491237        s-trans-Propenoic acid
   54490.2392  0.0017 -5.7696 3  130.5851 45  72503 30322 616      22 517        s-trans-Propenoic acid
   54498.8740  0.0063 -7.5770 3  166.5268 55  72503 30327 720      26 917        s-trans-Propenoic acid
   54553.1285  0.0145 -6.9051 3  311.0100 77  72503 303381722      371819        s-trans-Propenoic acid
   54553.1530  0.0145 -6.9051 3  311.0100 77  72503 303381721      371820        s-trans-Propenoic acid
   54598.4832  0.0016 -6.9458 3   70.4406 21  72503 30310 1 9      10 110        s-trans-Propenoic acid
   54605.8209  0.0021 -5.8457 3  108.4571 37  72503 30318 612      18 513        s-trans-Propenoic acid
   54662.0019  0.0016 -6.4938 3   70.4385 21  72503 30310 1 9      10 010        s-trans-Propenoic acid
   54745.2157  0.0018 -6.7211 3  101.0706 35  72503 30317 513      16 610        s-trans-Propenoic acid
   54750.9409  0.0074 -7.6340 3  192.3884 61  72503 30330 822      291019        s-trans-Propenoic acid
   54776.7119  0.0008 -5.7257 3   65.4341 15  72503 303 7 3 4       6 3 3        s-trans-Propenoic acid
   55105.6205  0.0126 -7.4774 3  168.3453 41  72503 3032016 4      2115 7        s-trans-Propenoic acid
   55105.6205  0.0126 -7.4774 3  168.3453 41  72503 3032016 5      2115 6        s-trans-Propenoic acid
   55254.1371  0.0040 -6.7382 3  200.0601 59  72503 303291218      281315        s-trans-Propenoic acid
   55267.0636  0.0040 -6.7380 3  200.0601 59  72503 303291217      281316        s-trans-Propenoic acid
   55315.5536  0.0310 -7.3598 3  267.8809 59  72503 3032921 8      302011        s-trans-Propenoic acid
   55315.5536  0.0310 -7.3598 3  267.8809 59  72503 3032921 9      302010        s-trans-Propenoic acid
   55321.3396  0.0013 -6.7545 3   74.8755 23  72503 30311 3 9      11 110        s-trans-Propenoic acid
   55360.4441  0.1074 -7.6466 3  562.7660 95  72503 303473116      483019        s-trans-Propenoic acid
   55360.4441  0.1074 -7.6466 3  562.7660 95  72503 303473117      483018        s-trans-Propenoic acid
   55390.0120  0.0616 -7.4410 3  399.3742 77  72503 303382612      392515        s-trans-Propenoic acid
   55390.0120  0.0616 -7.4410 3  399.3742 77  72503 303382613      392514        s-trans-Propenoic acid
   55830.5306  0.0786 -7.4980 3  670.3851117  72503 303582830      572929        s-trans-Propenoic acid
   55830.5306  0.0786 -7.4980 3  670.3851117  72503 303582831      572928        s-trans-Propenoic acid
   55910.8149  0.0012 -6.0704 3   79.6949 25  72503 30312 4 9      12 310        s-trans-Propenoic acid
   55920.4465  0.0413 -7.1727 3  488.7828 99  72503 303492326      482425        s-trans-Propenoic acid
   55920.4465  0.0413 -7.1727 3  488.7828 99  72503 303492327      482424        s-trans-Propenoic acid
   55992.6801  0.0022 -6.6595 3  121.1186 41  72503 30320 714      19 811        s-trans-Propenoic acid
   56067.2323  0.0128 -7.4453 3  296.0678 83  72503 30341 933      401030        s-trans-Propenoic acid
   56190.9500  0.0178 -6.9185 3  339.0469 81  72503 303401823      391920        s-trans-Propenoic acid
   56190.9580  0.0178 -6.9185 3  339.0469 81  72503 303401822      391921        s-trans-Propenoic acid
   56233.1914  0.0078 -6.4699 3  262.3221 75  72503 303371027      371028        s-trans-Propenoic acid
   56262.5141  0.0015 -6.4713 3   70.4406 21  72503 30310 2 9      10 110        s-trans-Propenoic acid
   56326.0327  0.0015 -6.9236 3   70.4385 21  72503 30310 2 9      10 010        s-trans-Propenoic acid
   56366.7123  0.0069 -7.1712 3  160.9887 55  72503 30327 622      26 719        s-trans-Propenoic acid
   56382.7488  0.1215 -7.0959 3  686.3104131  72503 303651847      651848        s-trans-Propenoic acid
   56448.4535  0.0263 -7.7069 3  493.0551111  72503 303551243      541540        s-trans-Propenoic acid
   56497.2852  0.0009 -6.3906 3   62.2570 13  72503 303 6 2 5       5 1 4        s-trans-Propenoic acid
   56546.3748  0.0051 -6.4164 3  166.4585 55  72503 30327 720      27 721        s-trans-Propenoic acid
   56605.8175  0.0103 -7.5511 3  151.2853 37  72503 3031815 3      1914 6        s-trans-Propenoic acid
   56605.8175  0.0103 -7.5511 3  151.2853 37  72503 3031815 4      1914 5        s-trans-Propenoic acid
   56653.5201  0.0008 -5.6417 3   64.4529 15  72503 303 7 2 5       6 2 4        s-trans-Propenoic acid
   56679.2894  0.0017 -6.0764 3   78.6676 23  72503 30311 5 6      11 4 7        s-trans-Propenoic acid
   56821.0484  0.0053 -6.7352 3  221.2466 63  72503 303311319      301416        s-trans-Propenoic acid
   56825.5714  0.0053 -6.7351 3  221.2466 63  72503 303311318      301417        s-trans-Propenoic acid
   56864.7548  0.0265 -7.3528 3  243.9669 55  72503 3032720 7      281910        s-trans-Propenoic acid
   56864.7548  0.0265 -7.3528 3  243.9669 55  72503 3032720 8      2819 9        s-trans-Propenoic acid
   56968.9819  0.0970 -7.5761 3  525.1789 91  72503 303453015      462918        s-trans-Propenoic acid
   56968.9819  0.0970 -7.5761 3  525.1789 91  72503 303453016      462917        s-trans-Propenoic acid
   56972.2775  0.0544 -7.3965 3  368.6168 73  72503 303362511      372414        s-trans-Propenoic acid
   56972.2775  0.0544 -7.3965 3  368.6168 73  72503 303362512      372413        s-trans-Propenoic acid
   57111.7366  0.0010 -6.8141 3   59.6030  9  72503 303 4 2 2       3 1 3        s-trans-Propenoic acid
   57120.9092  0.0025 -5.8013 3  117.1411 41  72503 30320 515      20 416        s-trans-Propenoic acid
   57259.8851  0.0011 -6.4233 3   59.6859  7  72503 303 3 3 1       2 2 0        s-trans-Propenoic acid
   57448.5385  0.0011 -6.4219 3   59.6801  7  72503 303 3 3 0       2 2 1        s-trans-Propenoic acid
   57511.7387  0.0879 -7.5479 3  713.5451121  72503 303602931      593030        s-trans-Propenoic acid
   57511.7387  0.0879 -7.5479 3  713.5451121  72503 303602932      593029        s-trans-Propenoic acid
   57586.5118  0.0475 -7.2069 3  525.1245103  72503 303512427      502526        s-trans-Propenoic acid
   57586.5118  0.0475 -7.2069 3  525.1245103  72503 303512428      502525        s-trans-Propenoic acid
   57639.8368  0.0258 -7.6482 3  464.8604107  72503 303531241      521538        s-trans-Propenoic acid
   57641.1707  0.0026 -6.5529 3   89.9389 31  72503 30315 312      15 313        s-trans-Propenoic acid
   57833.1194  0.0214 -6.9365 3  368.5540 85  72503 303421924      412021        s-trans-Propenoic acid
   57833.1221  0.0214 -6.9365 3  368.5540 85  72503 303421923      412022        s-trans-Propenoic acid
   57992.7226  0.0653 -6.8606 3  558.6778117  72503 303581642      581643        s-trans-Propenoic acid
   58004.2133  0.0015 -5.6960 3  145.1773 49  72503 30324 717      24 618        s-trans-Propenoic acid
   58015.5282  0.0008 -5.5642 3   65.8497 17  72503 303 8 2 7       7 2 6        s-trans-Propenoic acid
   58025.3935  0.0023 -6.6267 3  135.4420 45  72503 30322 815      21 912        s-trans-Propenoic acid
   58087.3119  0.0082 -7.6696 3  135.6986 33  72503 3031614 2      1713 5        s-trans-Propenoic acid
   58087.3119  0.0082 -7.6696 3  135.6986 33  72503 3031614 3      1713 4        s-trans-Propenoic acid
   58129.6853  0.0150 -6.5426 3  346.6616 89  72503 303441232      441233        s-trans-Propenoic acid
   58238.0017  0.0253 -7.6538 3  478.8280109  72503 303541242      531539        s-trans-Propenoic acid
   58402.1428  0.0069 -6.7369 3  243.9058 67  72503 303331420      321517        s-trans-Propenoic acid
   58402.1702  0.0224 -7.3597 3  221.5247 51  72503 3032519 6      2618 9        s-trans-Propenoic acid
   58402.1702  0.0224 -7.3597 3  221.5247 51  72503 3032519 7      2618 8        s-trans-Propenoic acid
   58403.7048  0.0069 -6.7368 3  243.9058 67  72503 303331419      321518        s-trans-Propenoic acid
   58527.5856  0.0023 -5.8333 3  103.5707 35  72503 30317 611      17 512        s-trans-Propenoic acid
   58545.8727  0.0478 -7.3602 3  339.3286 69  72503 303342410      352313        s-trans-Propenoic acid
   58545.8727  0.0478 -7.3602 3  339.3286 69  72503 303342411      352312        s-trans-Propenoic acid
   58570.4018  0.0873 -7.5118 3  489.0578 87  72503 303432914      442817        s-trans-Propenoic acid
   58570.4018  0.0873 -7.5118 3  489.0578 87  72503 303432915      442816        s-trans-Propenoic acid
   58643.4765  0.0322 -6.6749 3  445.4540103  72503 303511437      511438        s-trans-Propenoic acid
   58773.7858  0.0034 -7.3219 3  128.6246 45  72503 30322 517      21 714        s-trans-Propenoic acid
   58870.8731  0.0016 -6.1059 3   75.7704 21  72503 30310 5 5      10 4 6        s-trans-Propenoic acid
   58952.4922  0.0023 -5.9818 3   89.8952 31  72503 30315 312      15 213        s-trans-Propenoic acid
   58969.0506  0.0020 -5.7005 3  138.6633 47  72503 30323 716      23 617        s-trans-Propenoic acid
   58990.8381  0.0039 -6.9009 3  120.7275 43  72503 30321 517      20 614        s-trans-Propenoic acid
   58995.5990  0.0009 -5.9139 3   66.2877 19  72503 303 9 0 9       8 1 8        s-trans-Propenoic acid
   59123.9749  0.0009 -5.4742 3   66.2877 19  72503 303 9 1 9       8 1 8        s-trans-Propenoic acid
   59167.8757  0.0046 -6.3944 3  143.2037 49  72503 30324 618      24 619        s-trans-Propenoic acid
   59195.2817  0.0978 -7.6020 3  758.1678125  72503 303623032      613131        s-trans-Propenoic acid
   59195.2817  0.0978 -7.6020 3  758.1678125  72503 303623033      613130        s-trans-Propenoic acid
   59249.5844  0.0009 -5.4722 3   66.2792 19  72503 303 9 0 9       8 0 8        s-trans-Propenoic acid
   59255.0027  0.0543 -7.2453 3  562.9327107  72503 303532528      522627        s-trans-Propenoic acid
   59255.0027  0.0543 -7.2453 3  562.9327107  72503 303532529      522626        s-trans-Propenoic acid
   59273.7993  0.0019 -6.6714 3  105.5229 37  72503 30318 514      17 611        s-trans-Propenoic acid
   59359.2311  0.0027 -6.6048 3  121.1138 41  72503 30320 713      19 812        s-trans-Propenoic acid
   59374.0907  0.0013 -6.0048 3   82.8923 27  72503 30313 410      13 311        s-trans-Propenoic acid
   59377.9602  0.0009 -5.9078 3   66.2792 19  72503 303 9 1 9       8 0 8        s-trans-Propenoic acid
   59441.4690  0.0025 -6.6046 3  135.4403 45  72503 30322 814      21 913        s-trans-Propenoic acid
   59449.0629  0.0016 -5.6725 3  151.9209 51  72503 30325 718      25 619        s-trans-Propenoic acid
   59479.2199  0.0256 -6.9589 3  399.5309 89  72503 303442025      432122        s-trans-Propenoic acid
   59479.2207  0.0256 -6.9589 3  399.5309 89  72503 303442024      432123        s-trans-Propenoic acid
   59566.4492  0.0015 -6.1434 3   77.7080 25  72503 30312 310      12 211        s-trans-Propenoic acid
   59684.3943  0.0023 -6.6074 3  151.2414 49  72503 30324 916      231013        s-trans-Propenoic acid
   59874.1925  0.0032 -6.4531 3  104.9380 37  72503 30318 414      18 415        s-trans-Propenoic acid
   59926.5673  0.0188 -7.3838 3  200.5545 47  72503 3032318 5      2417 8        s-trans-Propenoic acid
   59926.5673  0.0188 -7.3838 3  200.5545 47  72503 3032318 6      2417 7        s-trans-Propenoic acid
   59995.5158  0.0090 -6.7431 3  268.0374 71  72503 303351521      341618        s-trans-Propenoic acid
   59996.0494  0.0090 -6.7431 3  268.0374 71  72503 303351520      341619        s-trans-Propenoic acid
   60070.7083  0.0024 -5.7065 3  136.6596 47  72503 30323 617      23 518        s-trans-Propenoic acid
   60076.9336  0.0015 -6.6554 3   77.6910 25  72503 30312 310      12 111        s-trans-Propenoic acid
   60110.1652  0.0418 -7.3329 3  311.5102 65  72503 3033223 9      332212        s-trans-Propenoic acid
   60110.1652  0.0418 -7.3329 3  311.5102 65  72503 303322310      332211        s-trans-Propenoic acid
   60113.9468  0.1310 -7.6915 3  629.1696101  72503 303503317      513220        s-trans-Propenoic acid
   60113.9468  0.1310 -7.6915 3  629.1696101  72503 303503318      513219        s-trans-Propenoic acid
   60164.3491  0.0782 -7.4540 3  454.4034 83  72503 303412813      422716        s-trans-Propenoic acid
   60164.3491  0.0782 -7.4540 3  454.4034 83  72503 303412814      422715        s-trans-Propenoic acid
   60247.6754  0.0024 -6.5989 3  151.2408 49  72503 30324 915      231014        s-trans-Propenoic acid
   60277.9617  0.0008 -5.5198 3   65.6229 17  72503 303 8 1 7       7 1 6        s-trans-Propenoic acid
   60339.6332  0.0039 -6.4045 3  122.6952 43  72503 30321 516      21 517        s-trans-Propenoic acid
   60346.6983  0.0016 -6.1544 3   73.1655 19  72503 303 9 5 4       9 4 5        s-trans-Propenoic acid
   60497.7469  0.0029 -6.5902 3  108.2606 37  72503 30318 612      17 711        s-trans-Propenoic acid
   60560.2075  0.0007 -6.1453 3   76.3977 17  72503 303 8 7 2       7 7 1        s-trans-Propenoic acid
   60560.2108  0.0007 -6.1453 3   76.3977 17  72503 303 8 7 1       7 7 0        s-trans-Propenoic acid
   60667.6862  0.0010 -6.2445 3   63.8260 15  72503 303 7 2 6       6 1 5        s-trans-Propenoic acid
   60677.3337  0.0008 -5.8663 3   73.3931 17  72503 303 8 6 3       7 6 2        s-trans-Propenoic acid
   60677.6541  0.0008 -5.8663 3   73.3931 17  72503 303 8 6 2       7 6 1        s-trans-Propenoic acid
   60698.2774  0.0008 -5.5616 3   67.1696 17  72503 303 8 3 6       7 3 5        s-trans-Propenoic acid
   60869.8169  0.0008 -5.7144 3   70.8558 17  72503 303 8 5 4       7 5 3        s-trans-Propenoic acid
   60871.5298  0.0021 -6.5798 3  112.9278 39  72503 30319 614      18 711        s-trans-Propenoic acid
   60881.2125  0.1085 -7.6603 3  804.2523129  72503 303643133      633232        s-trans-Propenoic acid
   60881.2125  0.1085 -7.6603 3  804.2523129  72503 303643134      633231        s-trans-Propenoic acid
   60884.4817  0.0008 -5.7142 3   70.8559 17  72503 303 8 5 3       7 5 2        s-trans-Propenoic acid
   60925.9141  0.0616 -7.2880 3  602.2068111  72503 303552629      542728        s-trans-Propenoic acid
   60925.9141  0.0616 -7.2880 3  602.2068111  72503 303552630      542727        s-trans-Propenoic acid
   61000.6333  0.0011 -7.5639 3   59.4733  9  72503 303 4 2 2       3 0 3        s-trans-Propenoic acid
   61110.7312  0.0008 -5.6167 3   68.7882 17  72503 303 8 4 5       7 4 4        s-trans-Propenoic acid
   61128.9348  0.0302 -6.9857 3  431.9769 93  72503 303462126      452223        s-trans-Propenoic acid
   61128.9351  0.0302 -6.9857 3  431.9769 93  72503 303462125      452224        s-trans-Propenoic acid
   61205.7314  0.0025 -6.5960 3  168.5157 53  72503 303261017      251114        s-trans-Propenoic acid
   61269.0638  0.0015 -6.2252 3   70.8431 17  72503 303 8 5 3       8 4 4        s-trans-Propenoic acid
   61301.8283  0.3020 -7.4447 3  914.8138153  72503 303762155      762156        s-trans-Propenoic acid
   61316.1457  0.0417 -7.6384 3  472.0911109  72503 303541243      531340        s-trans-Propenoic acid
   61335.7102  0.0018 -6.8440 3   72.8296 23  72503 30311 110      11 111        s-trans-Propenoic acid
   61345.1011  0.0015 -6.0763 3   75.6814 21  72503 30310 5 6      10 4 7        s-trans-Propenoic acid
   61364.4381  0.0020 -6.6109 3   80.7193 27  72503 30313 211      13 212        s-trans-Propenoic acid
   61366.6129  0.0018 -6.3981 3   72.8285 23  72503 30311 110      11 011        s-trans-Propenoic acid
   61378.2221  0.0014 -6.0212 3   78.4944 23  72503 30311 5 7      11 4 8        s-trans-Propenoic acid
   61421.0995  0.0025 -6.5929 3  168.5155 53  72503 303261016      251115        s-trans-Propenoic acid
   61433.9405  0.0008 -5.6122 3   68.7939 17  72503 303 8 4 4       7 4 3        s-trans-Propenoic acid
   61436.4924  0.0157 -7.4298 3  181.0567 43  72503 3032117 4      2216 7        s-trans-Propenoic acid
   61436.4924  0.0157 -7.4298 3  181.0567 43  72503 3032117 5      2216 6        s-trans-Propenoic acid
   61503.6158  0.0015 -6.1405 3   73.1247 19  72503 303 9 5 5       9 4 6        s-trans-Propenoic acid
   61599.2293  0.0114 -6.7538 3  293.6407 75  72503 303371622      361719        s-trans-Propenoic acid
   61599.4099  0.0114 -6.7538 3  293.6407 75  72503 303371621      361720        s-trans-Propenoic acid
   61635.1161  0.0020 -6.1104 3   80.7102 27  72503 30313 211      13 112        s-trans-Propenoic acid
   61664.4234  0.0363 -7.3157 3  285.1620 61  72503 3033022 8      312111        s-trans-Propenoic acid
   61664.4234  0.0363 -7.3157 3  285.1620 61  72503 3033022 9      312110        s-trans-Propenoic acid
   61718.3148  0.0066 -6.3791 3  230.0206 69  72503 30334 925      34 926        s-trans-Propenoic acid
   61726.2369  0.1192 -7.6161 3  589.1589 97  72503 303483216      493119        s-trans-Propenoic acid
   61726.2369  0.1192 -7.6161 3  589.1589 97  72503 303483217      493118        s-trans-Propenoic acid
   61737.2033  0.0014 -5.9714 3   81.5599 25  72503 30312 5 8      12 4 9        s-trans-Propenoic acid
   61742.4758  0.0015 -6.2195 3   70.8266 17  72503 303 8 5 4       8 4 5        s-trans-Propenoic acid
   61747.2343  0.0030 -6.7598 3  115.3459 41  72503 30320 516      19 613        s-trans-Propenoic acid
   61750.4187  0.0698 -7.4032 3  421.2166 79  72503 303392712      402615        s-trans-Propenoic acid
   61750.4187  0.0698 -7.4032 3  421.2166 79  72503 303392713      402614        s-trans-Propenoic acid
   61757.1374  0.0023 -6.6831 3  110.2785 39  72503 30319 515      18 612        s-trans-Propenoic acid
   61765.8298  0.0096 -7.6174 3  241.6221 73  72503 30336 729      35 926        s-trans-Propenoic acid
   61818.5226  0.0015 -6.3253 3   68.7939 15  72503 303 7 5 2       7 4 3        s-trans-Propenoic acid
   61848.8092  0.0009 -6.0804 3   67.7849 19  72503 303 9 1 8       8 2 7        s-trans-Propenoic acid
   61909.8292  0.0024 -5.6898 3  132.4026 45  72503 30322 715      22 616        s-trans-Propenoic acid
   61911.6628  0.0015 -6.7290 3   79.4947 25  72503 30312 4 9      12 210        s-trans-Propenoic acid
   61983.3900  0.0015 -6.3233 3   68.7882 15  72503 303 7 5 3       7 4 4        s-trans-Propenoic acid
   62136.0938  0.0016 -6.4745 3   67.0107 13  72503 303 6 5 1       6 4 2        s-trans-Propenoic acid
   62162.2051  0.0017 -6.8574 3   76.4209 23  72503 30311 4 8      11 2 9        s-trans-Propenoic acid
   62182.4596  0.0016 -6.4740 3   67.0091 13  72503 303 6 5 2       6 4 3        s-trans-Propenoic acid
   62273.1806  0.0017 -6.3864 3   72.8296 23  72503 30311 210      11 111        s-trans-Propenoic acid
   62304.0832  0.0017 -6.8324 3   72.8285 23  72503 30311 210      11 011        s-trans-Propenoic acid
   62314.7724  0.0016 -6.7432 3   65.4886 11  72503 303 5 5 0       5 4 1        s-trans-Propenoic acid
   62324.2443  0.0016 -6.7431 3   65.4883 11  72503 303 5 5 1       5 4 2        s-trans-Propenoic acid
   62473.0348  0.0054 -7.3706 3  153.9039 53  72503 30326 521      25 718        s-trans-Propenoic acid
   62562.3246  0.0013 -5.9241 3   84.8728 27  72503 30313 5 9      13 410        s-trans-Propenoic acid
   62599.2532  0.0696 -7.3348 3  642.9458115  72503 303572730      562829        s-trans-Propenoic acid
   62599.2532  0.0696 -7.3348 3  642.9458115  72503 303572731      562828        s-trans-Propenoic acid
   62615.1906  0.0027 -5.8248 3  104.8465 37  72503 30318 414      18 315        s-trans-Propenoic acid
   62625.4942  0.0015 -6.3129 3   71.4647 21  72503 30310 2 8       9 3 7        s-trans-Propenoic acid
   62694.9373  0.0030 -6.5905 3  187.2643 57  72503 303281118      271215        s-trans-Propenoic acid
   62696.8271  0.0022 -5.8206 3   98.9793 33  72503 30316 610      16 511        s-trans-Propenoic acid
   62774.8793  0.0030 -6.5893 3  187.2642 57  72503 303281117      271216        s-trans-Propenoic acid
   62782.0241  0.0353 -7.0168 3  465.8913 97  72503 303482227      472324        s-trans-Propenoic acid
   62782.0242  0.0353 -7.0168 3  465.8913 97  72503 303482226      472325        s-trans-Propenoic acid
   62930.2277  0.0129 -7.5060 3  163.0316 39  72503 3031916 3      2015 6        s-trans-Propenoic acid
   62930.2277  0.0129 -7.5060 3  163.0316 39  72503 3031916 4      2015 5        s-trans-Propenoic acid
   62998.1312  0.0031 -6.5502 3   96.8779 33  72503 30316 511      15 610        s-trans-Propenoic acid
   63078.1174  0.0099 -7.2189 3  241.6221 73  72503 30336 829      35 926        s-trans-Propenoic acid
   63155.2709  0.0014 -6.6179 3   82.7662 27  72503 30313 410      13 211        s-trans-Propenoic acid
   63207.7995  0.0313 -7.3103 3  260.2847 57  72503 3032821 7      292010        s-trans-Propenoic acid
   63207.7995  0.0313 -7.3103 3  260.2847 57  72503 3032821 8      2920 9        s-trans-Propenoic acid
   63211.6541  0.0142 -6.7689 3  320.7154 79  72503 303391723      381820        s-trans-Propenoic acid
   63211.7147  0.0142 -6.7689 3  320.7154 79  72503 303391722      381821        s-trans-Propenoic acid
   63328.1476  0.0621 -7.3598 3  389.4978 75  72503 303372611      382514        s-trans-Propenoic acid
   63328.1476  0.0621 -7.3598 3  389.4978 75  72503 303372612      382513        s-trans-Propenoic acid
   63331.5019  0.1080 -7.5465 3  550.6128 93  72503 303463115      473018        s-trans-Propenoic acid
   63331.5019  0.1080 -7.5465 3  550.6128 93  72503 303463116      473017        s-trans-Propenoic acid
   63443.5029  0.0009 -5.5212 3   67.2612 17  72503 303 8 3 5       7 3 4        s-trans-Propenoic acid
   63467.6929  0.0022 -5.6299 3  158.8717 53  72503 30326 719      26 620        s-trans-Propenoic acid
   63526.4811  0.0015 -5.9400 3   86.3082 29  72503 30314 411      14 312        s-trans-Propenoic acid
   63588.2423  0.0181 -7.3918 3  345.3697 91  72503 303451036      441133        s-trans-Propenoic acid
   63789.8775  0.0019 -7.0057 3   73.5536 21  72503 30310 4 7      10 2 8        s-trans-Propenoic acid
   63980.3777  0.0013 -5.8775 3   88.4272 29  72503 30314 510      14 411        s-trans-Propenoic acid
   64059.0815  0.1804 -7.1430 3  764.6751139  72503 303691950      691951        s-trans-Propenoic acid
   64192.1452  0.0038 -6.5897 3  207.4865 61  72503 303301219      291316        s-trans-Propenoic acid
   64221.1409  0.0038 -6.5893 3  207.4865 61  72503 303301218      291317        s-trans-Propenoic acid
   64275.0359  0.0782 -7.3858 3  685.1489119  72503 303592831      582930        s-trans-Propenoic acid
   64275.0359  0.0782 -7.3858 3  685.1489119  72503 303592832      582929        s-trans-Propenoic acid
   64394.7559  0.0012 -6.3221 3   60.4591  9  72503 303 4 3 2       3 2 1        s-trans-Propenoic acid
   64405.7399  0.0105 -7.6274 3  146.4795 35  72503 3031715 2      1814 5        s-trans-Propenoic acid
   64405.7399  0.0105 -7.6274 3  146.4795 35  72503 3031715 3      1814 4        s-trans-Propenoic acid
   64438.3061  0.0409 -7.0521 3  501.2735101  72503 303502327      492426        s-trans-Propenoic acid
   64438.3061  0.0409 -7.0521 3  501.2735101  72503 303502328      492425        s-trans-Propenoic acid
   64629.5009  0.0009 -5.4662 3   66.3427 17  72503 303 8 2 6       7 2 5        s-trans-Propenoic acid
   64650.4041  0.0023 -6.5102 3  126.2748 43  72503 30321 715      20 812        s-trans-Propenoic acid
   64674.8226  0.0009 -5.4179 3   67.7849 19  72503 303 9 2 8       8 2 7        s-trans-Propenoic acid
   64730.6502  0.0076 -7.4527 3  194.2147 63  72503 30331 625      30 822        s-trans-Propenoic acid
   64739.3085  0.0268 -7.3187 3  236.8786 53  72503 3032620 6      2719 9        s-trans-Propenoic acid
   64739.3085  0.0268 -7.3187 3  236.8786 53  72503 3032620 7      2719 8        s-trans-Propenoic acid
   64813.1176  0.0010 -6.1008 3   65.6229 17  72503 303 8 2 7       7 1 6        s-trans-Propenoic acid
   64831.5036  0.0175 -6.7883 3  349.2608 83  72503 303411824      401921        s-trans-Propenoic acid
   64831.5238  0.0175 -6.7883 3  349.2608 83  72503 303411823      401922        s-trans-Propenoic acid
   64897.0059  0.0549 -7.3245 3  359.2477 71  72503 303352510      362413        s-trans-Propenoic acid
   64897.0059  0.0549 -7.3245 3  359.2477 71  72503 303352511      362412        s-trans-Propenoic acid
   64929.4352  0.0976 -7.4830 3  513.5322 89  72503 303443014      452917        s-trans-Propenoic acid
   64929.4352  0.0976 -7.4830 3  513.5322 89  72503 303443015      452916        s-trans-Propenoic acid
   65017.2880  0.0113 -6.4182 3  308.0683 83  72503 303411130      411131        s-trans-Propenoic acid
   65145.6183  0.0017 -6.0679 3   80.7193 27  72503 30313 311      13 212        s-trans-Propenoic acid
   65314.5631  0.0010 -5.7758 3   68.2598 21  72503 30310 010       9 1 9        s-trans-Propenoic acid
   65346.4341  0.0012 -6.3174 3   60.4308  9  72503 303 4 3 1       3 2 2        s-trans-Propenoic acid
   65378.0818  0.0010 -5.3445 3   68.2598 21  72503 30310 110       9 1 9        s-trans-Propenoic acid
   65388.8802  0.0030 -5.7136 3  122.5268 43  72503 30321 516      21 417        s-trans-Propenoic acid
   65416.2963  0.0017 -6.5660 3   80.7102 27  72503 30313 311      13 112        s-trans-Propenoic acid
   65442.9390  0.0010 -5.3435 3   68.2555 21  72503 30310 010       9 0 9        s-trans-Propenoic acid
   65506.4576  0.0010 -5.7730 3   68.2555 21  72503 30310 110       9 0 9        s-trans-Propenoic acid
   65571.9458  0.0045 -7.2573 3  149.7336 51  72503 30325 619      24 816        s-trans-Propenoic acid
   65583.5358  0.0018 -5.5870 3  175.9470 57  72503 30328 820      28 721        s-trans-Propenoic acid
   65709.0786  0.0051 -6.5934 3  229.1819 65  72503 303321320      311417        s-trans-Propenoic acid
   65709.9632  0.0029 -7.1778 3  134.4677 47  72503 30323 518      22 715        s-trans-Propenoic acid
   65716.0442  0.0028 -6.4796 3   86.9596 29  72503 30314 410      13 5 9        s-trans-Propenoic acid
   65719.4022  0.0051 -6.5932 3  229.1819 65  72503 303321319      311418        s-trans-Propenoic acid
   65796.6650  0.0014 -6.5204 3   86.2325 29  72503 30314 411      14 212        s-trans-Propenoic acid
   65825.4271  0.0060 -6.9201 3  153.9039 53  72503 30326 621      25 718        s-trans-Propenoic acid
   65953.2861  0.0875 -7.4408 3  728.8153123  72503 303612932      603031        s-trans-Propenoic acid
   65953.2861  0.0875 -7.4408 3  728.8153123  72503 303612933      603030        s-trans-Propenoic acid
   66006.1381  0.1002 -6.8869 3  628.9064125  72503 303621745      621746        s-trans-Propenoic acid
   66086.9509  0.0013 -5.8302 3   92.2169 31  72503 30315 511      15 412        s-trans-Propenoic acid
   66095.0530  0.0022 -5.5897 3  168.3446 55  72503 30327 819      27 720        s-trans-Propenoic acid
   66097.6446  0.0471 -7.0916 3  538.1228105  72503 303522428      512527        s-trans-Propenoic acid
   66097.6446  0.0471 -7.0916 3  538.1228105  72503 303522429      512526        s-trans-Propenoic acid
   66162.1356  0.0027 -5.6700 3  126.4176 43  72503 30321 714      21 615        s-trans-Propenoic acid
   66231.3004  0.0059 -6.3124 3  200.4556 63  72503 30331 823      31 824        s-trans-Propenoic acid
   66257.8040  0.0227 -7.3443 3  214.9442 49  72503 3032419 5      2518 8        s-trans-Propenoic acid
   66257.8040  0.0227 -7.3443 3  214.9442 49  72503 3032419 6      2518 7        s-trans-Propenoic acid
   66319.7791  0.0022 -6.3888 3   78.4944 25  72503 30312 3 9      11 4 8        s-trans-Propenoic acid
   66383.9651  0.0009 -5.3898 3   67.6336 19  72503 303 9 1 8       8 1 7        s-trans-Propenoic acid
   66456.3862  0.0483 -7.2982 3  330.4669 67  72503 3033324 9      342312        s-trans-Propenoic acid
   66456.3862  0.0483 -7.2982 3  330.4669 67  72503 303332410      342311        s-trans-Propenoic acid
   66457.7816  0.0211 -6.8120 3  379.2763 87  72503 303431925      422022        s-trans-Propenoic acid
   66457.7883  0.0211 -6.8120 3  379.2763 87  72503 303431924      422023        s-trans-Propenoic acid
   66460.3400  0.0025 -6.4300 3   93.7816 33  72503 30316 313      16 314        s-trans-Propenoic acid
   66476.4048  0.0021 -7.1747 3   70.9073 19  72503 303 9 4 6       9 2 7        s-trans-Propenoic acid
   66489.8524  0.0021 -5.8139 3   94.6932 31  72503 30315 6 9      15 510        s-trans-Propenoic acid
   66519.6888  0.0879 -7.4260 3  477.9179 85  72503 303422913      432816        s-trans-Propenoic acid
   66519.6888  0.0879 -7.4260 3  477.9179 85  72503 303422914      432815        s-trans-Propenoic acid
   66688.1464  0.0242 -6.5205 3  400.5798 97  72503 303481335      481336        s-trans-Propenoic acid
   66860.0853  0.0080 -7.0378 3  194.2147 63  72503 30331 725      30 822        s-trans-Propenoic acid
   66949.0467  0.0513 -6.6783 3  507.5333111  72503 303551540      551541        s-trans-Propenoic acid
   67098.5687  0.0024 -6.4762 3  141.1037 47  72503 30323 816      22 913        s-trans-Propenoic acid
   67194.9226  0.0024 -5.8831 3   93.7571 33  72503 30316 313      16 214        s-trans-Propenoic acid
   67246.7394  0.0067 -6.6014 3  252.3500 69  72503 303341421      331518        s-trans-Propenoic acid
   67250.3593  0.0067 -6.6013 3  252.3500 69  72503 303341420      331519        s-trans-Propenoic acid
   67448.6247  0.0043 -7.2164 3  147.1121 51  72503 30325 520      24 717        s-trans-Propenoic acid
   67634.0337  0.0974 -7.4998 3  773.9441127  72503 303633033      623132        s-trans-Propenoic acid
   67634.0337  0.0974 -7.4998 3  773.9441127  72503 303633034      623131        s-trans-Propenoic acid
   67675.8321  0.0031 -5.6327 3  142.9199 49  72503 30324 618      24 519        s-trans-Propenoic acid
   67729.2298  0.0020 -5.5652 3  183.7705 59  72503 30329 821      29 722        s-trans-Propenoic acid
   67751.8197  0.0021 -6.4812 3  117.8650 41  72503 30320 615      19 712        s-trans-Propenoic acid
   67759.9390  0.0539 -7.1351 3  576.4383109  72503 303542529      532628        s-trans-Propenoic acid
   67759.9390  0.0539 -7.1351 3  576.4383109  72503 303542530      532627        s-trans-Propenoic acid
   67761.9492  0.0191 -7.3921 3  194.4819 45  72503 3032218 4      2317 7        s-trans-Propenoic acid
   67761.9492  0.0191 -7.3921 3  194.4819 45  72503 3032218 5      2317 6        s-trans-Propenoic acid
   67888.2566  0.0019 -6.7562 3   75.4265 25  72503 30312 111      12 112        s-trans-Propenoic acid
   67903.0866  0.0019 -6.3152 3   75.4260 25  72503 30312 111      12 012        s-trans-Propenoic acid
   68005.5914  0.0422 -7.2821 3  303.1560 63  72503 3033123 8      322211        s-trans-Propenoic acid
   68005.5914  0.0422 -7.2821 3  303.1560 63  72503 3033123 9      322210        s-trans-Propenoic acid
   68064.1858  0.0009 -5.4016 3   69.1943 19  72503 303 9 3 7       8 3 6        s-trans-Propenoic acid
   68089.7196  0.0252 -6.8398 3  410.7614 91  72503 303452026      442123        s-trans-Propenoic acid
   68089.7218  0.0252 -6.8398 3  410.7614 91  72503 303452025      442124        s-trans-Propenoic acid
   68101.8680  0.0788 -7.3759 3  443.7704 81  72503 303402812      412715        s-trans-Propenoic acid
   68101.8680  0.0788 -7.3759 3  443.7704 81  72503 303402813      412714        s-trans-Propenoic acid
   68115.8070  0.0008 -6.0516 3   81.8850 19  72503 303 9 8 2       8 8 1        s-trans-Propenoic acid
   68115.8072  0.0008 -6.0516 3   81.8850 19  72503 303 9 8 1       8 8 0        s-trans-Propenoic acid
   68223.1375  0.0008 -5.7684 3   78.4177 19  72503 303 9 7 3       8 7 2        s-trans-Propenoic acid
   68223.1626  0.0008 -5.7684 3   78.4177 19  72503 303 9 7 2       8 7 1        s-trans-Propenoic acid
   68292.2756  0.0017 -5.8764 3   89.9389 31  72503 30315 412      15 313        s-trans-Propenoic acid
   68389.9139  0.0008 -5.6120 3   75.4171 19  72503 303 9 6 4       8 6 3        s-trans-Propenoic acid
   68391.3921  0.0008 -5.6119 3   75.4171 19  72503 303 9 6 3       8 6 2        s-trans-Propenoic acid
   68398.7410  0.0018 -6.3093 3   75.4265 25  72503 30312 211      12 112        s-trans-Propenoic acid
   68413.5710  0.0018 -6.7504 3   75.4260 25  72503 30312 211      12 012        s-trans-Propenoic acid
   68638.5495  0.0033 -7.1465 3  140.6303 49  72503 30324 519      23 716        s-trans-Propenoic acid
   68655.1815  0.0009 -5.5084 3   72.8862 19  72503 303 9 5 5       8 5 4        s-trans-Propenoic acid
   68701.7564  0.0009 -5.5079 3   72.8868 19  72503 303 9 5 4       8 5 3        s-trans-Propenoic acid
   68742.5896  0.0021 -6.5101 3   83.9395 29  72503 30314 212      14 213        s-trans-Propenoic acid
   68802.8231  0.0087 -6.6135 3  276.9903 73  72503 303361522      351619        s-trans-Propenoic acid
   68804.0764  0.0087 -6.6135 3  276.9903 73  72503 303361521      351620        s-trans-Propenoic acid
   68883.0798  0.0021 -6.0215 3   83.9348 29  72503 30314 212      14 113        s-trans-Propenoic acid
   68888.3742  0.0027 -5.5761 3  160.9887 53  72503 30326 818      26 719        s-trans-Propenoic acid
   68891.3849  0.0024 -6.4603 3  157.4103 51  72503 30325 917      241014        s-trans-Propenoic acid
   68894.0415  0.0009 -5.4368 3   70.8266 19  72503 303 9 4 6       8 4 5        s-trans-Propenoic acid
   68933.8647  0.0014 -5.7819 3   96.2356 33  72503 30316 512      16 413        s-trans-Propenoic acid
   68989.5810  0.0149 -7.5666 3  296.7286 81  72503 303401129      391326        s-trans-Propenoic acid
   69120.8299  0.4269 -7.5268 3 1005.8890161  72503 303802258      802259        s-trans-Propenoic acid
   69209.9785  0.0011 -5.9614 3   67.6336 19  72503 303 9 2 8       8 1 7        s-trans-Propenoic acid
   69250.1830  0.0159 -7.4701 3  175.4919 41  72503 3032017 3      2116 6        s-trans-Propenoic acid
   69250.1830  0.0159 -7.4701 3  175.4919 41  72503 3032017 4      2116 5        s-trans-Propenoic acid
   69317.3136  0.1081 -7.5627 3  820.5344131  72503 303653134      643233        s-trans-Propenoic acid
   69317.3136  0.1081 -7.5627 3  820.5344131  72503 303653135      643232        s-trans-Propenoic acid
   69425.1169  0.0612 -7.1827 3  616.2194113  72503 303562630      552729        s-trans-Propenoic acid
   69425.1169  0.0612 -7.1827 3  616.2194113  72503 303562631      552728        s-trans-Propenoic acid
   69494.3558  0.0052 -6.2705 3  173.6289 57  72503 30328 721      28 722        s-trans-Propenoic acid
   69540.2885  0.0010 -5.8925 3   69.9422 21  72503 30310 1 9       9 2 8        s-trans-Propenoic acid
   69543.8199  0.0367 -7.2776 3  277.3155 59  72503 3032922 7      302110        s-trans-Propenoic acid
   69543.8199  0.0367 -7.2776 3  277.3155 59  72503 3032922 8      3021 9        s-trans-Propenoic acid
   69546.3712  0.0019 -5.8180 3   90.7149 29  72503 30314 6 8      14 5 9        s-trans-Propenoic acid
   69603.5971  0.0016 -6.4330 3   89.8952 31  72503 30315 412      15 213        s-trans-Propenoic acid
   69624.1219  0.0010 -5.4275 3   70.8431 19  72503 303 9 4 5       8 4 4        s-trans-Propenoic acid
   69675.5240  0.0704 -7.3332 3  411.0905 77  72503 303382711      392614        s-trans-Propenoic acid
   69675.5240  0.0704 -7.3332 3  411.0905 77  72503 303382712      392613        s-trans-Propenoic acid
   69684.7140  0.1199 -7.5271 3  576.7570 95  72503 303473215      483118        s-trans-Propenoic acid
   69684.7140  0.1199 -7.5271 3  576.7570 95  72503 303473216      483117        s-trans-Propenoic acid
   69726.7227  0.0299 -6.8718 3  443.7154 95  72503 303472127      462224        s-trans-Propenoic acid
   69726.7234  0.0299 -6.8718 3  443.7154 95  72503 303472126      462225        s-trans-Propenoic acid
   69797.0733  0.0022 -7.3654 3   68.4985 17  72503 303 8 4 5       8 2 6        s-trans-Propenoic acid
   69814.0119  0.0027 -6.4393 3  141.0997 47  72503 30323 815      22 914        s-trans-Propenoic acid
   69824.3463  0.0032 -6.3255 3  109.6129 39  72503 30319 415      19 416        s-trans-Propenoic acid
   69867.1385  0.0012 -6.7653 3   60.5088 11  72503 303 5 2 3       4 1 4        s-trans-Propenoic acid
   69928.4848  0.0030 -5.5723 3  166.0121 55  72503 30327 720      27 621        s-trans-Propenoic acid
   70016.2429  0.0025 -6.4455 3  157.4088 51  72503 30325 916      241015        s-trans-Propenoic acid
   70162.5537  0.0058 -7.2513 3  173.6066 57  72503 30328 721      27 918        s-trans-Propenoic acid
   70374.4699  0.0112 -6.6299 3  303.1023 77  72503 303381623      371720        s-trans-Propenoic acid
   70374.8171  0.0120 -7.5464 3  285.2140 81  72503 30340 832      391029        s-trans-Propenoic acid
   70374.8991  0.0112 -6.6299 3  303.1023 77  72503 303381622      371721        s-trans-Propenoic acid
   70412.2775  0.0025 -6.4542 3  175.1925 55  72503 303271018      261115        s-trans-Propenoic acid
   70766.7295  0.0031 -6.4228 3  126.2640 43  72503 30321 714      20 813        s-trans-Propenoic acid
   70856.3666  0.0026 -6.4486 3  175.1920 55  72503 303271017      261116        s-trans-Propenoic acid
   70918.2189  0.0012 -6.2338 3   61.5080 11  72503 303 5 3 3       4 2 2        s-trans-Propenoic acid
   70940.7801  0.0027 -5.6473 3  120.7275 41  72503 30320 713      20 614        s-trans-Propenoic acid
   70978.2952  0.0274 -7.3663 3  399.2969 99  72503 303491139      481236        s-trans-Propenoic acid
   71012.7735  0.0019 -5.9974 3   83.9395 29  72503 30314 312      14 213        s-trans-Propenoic acid
   71070.1487  0.0317 -7.2871 3  252.9458 55  72503 3032721 6      2820 9        s-trans-Propenoic acid
   71070.1487  0.0317 -7.2871 3  252.9458 55  72503 3032721 7      2820 8        s-trans-Propenoic acid
   71093.1281  0.0692 -7.2342 3  657.4652117  72503 303582731      572830        s-trans-Propenoic acid
   71093.1281  0.0692 -7.2342 3  657.4652117  72503 303582732      572829        s-trans-Propenoic acid
   71153.2637  0.0018 -6.4849 3   83.9348 29  72503 30314 312      14 113        s-trans-Propenoic acid
   71187.3743  0.0087 -6.3161 3  272.2063 77  72503 303381028      381029        s-trans-Propenoic acid
   71204.3193  0.0010 -5.2899 3   69.9422 21  72503 30310 2 9       9 2 8        s-trans-Propenoic acid
   71240.1466  0.0626 -7.2985 3  379.8789 73  72503 303362610      372513        s-trans-Propenoic acid
   71240.1466  0.0626 -7.2985 3  379.8789 73  72503 303362611      372512        s-trans-Propenoic acid
   71279.5143  0.1087 -7.4641 3  538.7173 91  72503 303453114      463017        s-trans-Propenoic acid
   71279.5143  0.1087 -7.4641 3  538.7173 91  72503 303453115      463016        s-trans-Propenoic acid
   71280.1425  0.0046 -6.2556 3  149.5432 51  72503 30325 619      25 620        s-trans-Propenoic acid
   71368.3284  0.0350 -6.9078 3  478.1377 99  72503 303492228      482325        s-trans-Propenoic acid
   71368.3287  0.0350 -6.9078 3  478.1377 99  72503 303492227      482326        s-trans-Propenoic acid
   71422.4233  0.0039 -6.2715 3  128.2027 45  72503 30322 517      22 518        s-trans-Propenoic acid
   71434.0642  0.0029 -5.7314 3  109.5592 39  72503 30319 415      19 316        s-trans-Propenoic acid
   71588.2570  0.0010 -5.6530 3   70.4406 23  72503 30311 011      10 110        s-trans-Propenoic acid
   71619.1597  0.0010 -5.2279 3   70.4406 23  72503 30311 111      10 110        s-trans-Propenoic acid
   71651.7757  0.0010 -5.2274 3   70.4385 23  72503 30311 011      10 010        s-trans-Propenoic acid
   71682.6783  0.0010 -5.6518 3   70.4385 23  72503 30311 111      10 010        s-trans-Propenoic acid
   71713.5022  0.0110 -7.4529 3  261.8057 75  72503 303371027      361224        s-trans-Propenoic acid
   71719.1991  0.0124 -7.1520 3  285.2140 81  72503 30340 932      391029        s-trans-Propenoic acid
   71793.2620  0.0018 -5.8351 3   87.0394 27  72503 30313 6 7      13 5 8        s-trans-Propenoic acid
   71849.0350  0.0029 -6.4545 3  194.4494 59  72503 303291119      281216        s-trans-Propenoic acid
   71959.1268  0.0140 -6.6503 3  330.6855 81  72503 303401724      391821        s-trans-Propenoic acid
   71959.2724  0.0140 -6.6503 3  330.6855 81  72503 303401723      391822        s-trans-Propenoic acid
   72018.2849  0.0029 -6.4524 3  194.4492 59  72503 303291118      281217        s-trans-Propenoic acid
   72214.7100  0.0010 -5.3202 3   68.4985 19  72503 303 9 2 7       8 2 6        s-trans-Propenoic acid
   72222.0791  0.0011 -5.3464 3   69.3775 19  72503 303 9 3 6       8 3 5        s-trans-Propenoic acid
   72261.3432  0.2612 -7.2061 3  847.6359147  72503 303732053      732054        s-trans-Propenoic acid
   72366.3019  0.0010 -5.2734 3   69.8479 21  72503 30310 1 9       9 1 8        s-trans-Propenoic acid
   72473.0854  0.0012 -7.3326 3   60.4219 11  72503 303 5 2 3       4 0 4        s-trans-Propenoic acid
   72523.5554  0.0016 -5.7324 3  100.4776 35  72503 30317 513      17 414        s-trans-Propenoic acid
   72583.5133  0.0271 -7.3138 3  230.0474 51  72503 3032520 5      2619 8        s-trans-Propenoic acid
   72583.5133  0.0271 -7.3138 3  230.0474 51  72503 3032520 6      2619 7        s-trans-Propenoic acid
   72591.4172  0.0071 -7.2887 3  200.2435 63  72503 30331 823      301020        s-trans-Propenoic acid
   72609.3672  0.0028 -5.5256 3  191.7927 61  72503 30330 822      30 723        s-trans-Propenoic acid
   72763.9408  0.0778 -7.2896 3  700.1749121  72503 303602832      592931        s-trans-Propenoic acid
   72763.9408  0.0778 -7.2896 3  700.1749121  72503 303602833      592930        s-trans-Propenoic acid
   72795.1548  0.0554 -7.2727 3  350.1360 69  72503 3033425 9      352412        s-trans-Propenoic acid
   72795.1548  0.0554 -7.2727 3  350.1360 69  72503 303342510      352411        s-trans-Propenoic acid
   72866.4555  0.0982 -7.4074 3  502.1432 87  72503 303433013      442916        s-trans-Propenoic acid
   72866.4555  0.0982 -7.4074 3  502.1432 87  72503 303433014      442915        s-trans-Propenoic acid
   72882.7093  0.0050 -6.7155 3  147.1121 51  72503 30325 620      24 717        s-trans-Propenoic acid
   72936.1500  0.0023 -6.3898 3  131.7077 45  72503 30322 716      21 813        s-trans-Propenoic acid
   73014.1756  0.0406 -6.9478 3  514.0275103  72503 303512329      502426        s-trans-Propenoic acid
   73014.1757  0.0406 -6.9478 3  514.0275103  72503 303512328      502427        s-trans-Propenoic acid
   73022.7130  0.0086 -7.3585 3  229.6436 69  72503 30334 925      331122        s-trans-Propenoic acid
   73133.2809  0.0025 -5.5104 3  202.6649 63  72503 30331 922      31 823        s-trans-Propenoic acid
   73204.7147  0.0022 -5.5084 3  211.3536 65  72503 30332 923      32 824        s-trans-Propenoic acid
   73280.6521  0.0037 -6.4596 3  215.1800 63  72503 303311220      301317        s-trans-Propenoic acid
   73313.6576  0.0014 -6.0517 3   73.9754 23  72503 30311 2 9      10 3 8        s-trans-Propenoic acid
   73323.8411  0.0031 -5.5516 3  153.9039 51  72503 30325 817      25 718        s-trans-Propenoic acid
   73325.5071  0.0034 -6.3861 3  112.9000 39  72503 30319 613      18 712        s-trans-Propenoic acid
   73326.4800  0.0021 -6.4249 3  123.0938 43  72503 30321 616      20 713        s-trans-Propenoic acid
   73343.4289  0.0037 -6.4588 3  215.1800 63  72503 303311219      301318        s-trans-Propenoic acid
   73347.7588  0.0017 -5.8657 3   83.6572 25  72503 30312 6 6      12 5 7        s-trans-Propenoic acid
   73554.7246  0.0172 -6.6748 3  359.7393 85  72503 303421825      411922        s-trans-Propenoic acid
   73554.7736  0.0172 -6.6748 3  359.7393 85  72503 303421824      411923        s-trans-Propenoic acid
   73568.5524  0.0018 -5.8148 3   93.7816 33  72503 30316 413      16 314        s-trans-Propenoic acid
   73645.1565  0.0015 -5.7418 3   94.4213 31  72503 30315 610      15 511        s-trans-Propenoic acid
   73699.4250  0.0016 -5.7754 3   90.5614 29  72503 30314 6 9      14 510        s-trans-Propenoic acid
   73742.8734  0.0013 -6.2266 3   61.4273 11  72503 303 5 3 2       4 2 3        s-trans-Propenoic acid
   73973.3194  0.0015 -5.7096 3   98.5350 33  72503 30316 611      16 512        s-trans-Propenoic acid
   73996.6981  0.0016 -5.8123 3   86.9596 27  72503 30313 6 8      13 5 9        s-trans-Propenoic acid
   74030.3327  0.0011 -5.8293 3   69.8479 21  72503 30310 2 9       9 1 8        s-trans-Propenoic acid
   74082.6843  0.0230 -7.3627 3  208.6206 47  72503 3032319 4      2418 7        s-trans-Propenoic acid
   74082.6843  0.0230 -7.3627 3  208.6206 47  72503 3032319 5      2418 6        s-trans-Propenoic acid
   74288.6788  0.0176 -6.3876 3  358.4322 91  72503 303451233      451234        s-trans-Propenoic acid
   74303.1350  0.0018 -6.3535 3   93.7571 33  72503 30316 413      16 214        s-trans-Propenoic acid
   74319.3140  0.0066 -7.2314 3  186.0297 61  72503 30330 624      29 821        s-trans-Propenoic acid
   74320.1042  0.0020 -6.6793 3   78.2312 27  72503 30313 112      13 113        s-trans-Propenoic acid
   74327.1406  0.0020 -6.2422 3   78.2309 27  72503 30313 112      13 013        s-trans-Propenoic acid
   74339.8864  0.0487 -7.2571 3  321.8626 65  72503 3033224 8      332311        s-trans-Propenoic acid
   74339.8864  0.0487 -7.2571 3  321.8626 65  72503 3033224 9      332310        s-trans-Propenoic acid
   74390.3666  0.0017 -5.9096 3   80.5582 23  72503 30311 6 5      11 5 6        s-trans-Propenoic acid
   74414.5509  0.0016 -5.8546 3   83.6192 25  72503 30312 6 7      12 5 8        s-trans-Propenoic acid
   74437.5377  0.0872 -7.3489 3  744.3476125  72503 303622933      613032        s-trans-Propenoic acid
   74437.5377  0.0872 -7.3489 3  744.3476125  72503 303622934      613031        s-trans-Propenoic acid
   74445.1542  0.0885 -7.3576 3  467.0355 83  72503 303412912      422815        s-trans-Propenoic acid
   74445.1542  0.0885 -7.3576 3  467.0355 83  72503 303412913      422814        s-trans-Propenoic acid
   74518.1645  0.0033 -5.6268 3  128.0994 45  72503 30322 517      22 418        s-trans-Propenoic acid
   74541.5374  0.1496 -6.9296 3  703.7376133  72503 303661848      661849        s-trans-Propenoic acid
   74590.7822  0.0020 -6.2393 3   78.2312 27  72503 30313 212      13 113        s-trans-Propenoic acid
   74597.8187  0.0020 -6.6764 3   78.2309 27  72503 30313 212      13 013        s-trans-Propenoic acid
   74663.9816  0.0468 -6.9918 3  551.3842107  72503 303532430      522527        s-trans-Propenoic acid
   74663.9817  0.0468 -6.9918 3  551.3842107  72503 303532429      522528        s-trans-Propenoic acid
   74732.3763  0.0025 -6.3265 3   97.8344 35  72503 30317 314      17 315        s-trans-Propenoic acid
   74734.3260  0.0049 -6.4689 3  237.3840 67  72503 303331321      321418        s-trans-Propenoic acid
   74757.1126  0.0049 -6.4686 3  237.3839 67  72503 303331320      321419        s-trans-Propenoic acid
   74823.3914  0.0015 -5.6774 3  102.8967 35  72503 30317 612      17 513        s-trans-Propenoic acid
   74845.4685  0.0089 -7.3558 3  232.0793 71  72503 30335 728      34 925        s-trans-Propenoic acid
   74858.9984  0.0017 -5.9048 3   80.5418 23  72503 30311 6 6      11 5 7        s-trans-Propenoic acid
   75083.8546  0.0017 -5.9680 3   77.7341 21  72503 30310 6 4      10 5 5        s-trans-Propenoic acid
   75133.8380  0.0024 -5.7976 3   97.8210 35  72503 30317 314      17 215        s-trans-Propenoic acid
   75159.6398  0.0208 -6.7033 3  390.2631 89  72503 303441926      432023        s-trans-Propenoic acid
   75159.6561  0.0208 -6.7033 3  390.2631 89  72503 303441925      432024        s-trans-Propenoic acid
   75268.4373  0.0017 -5.9661 3   77.7277 21  72503 30310 6 5      10 5 6        s-trans-Propenoic acid
   75271.1777  0.0010 -5.2642 3   71.4647 21  72503 30310 3 8       9 3 7        s-trans-Propenoic acid
   75523.1248  0.0025 -5.6278 3  115.3459 39  72503 30319 712      19 613        s-trans-Propenoic acid
   75546.8528  0.0017 -6.0445 3   75.1784 19  72503 303 9 6 3       9 5 4        s-trans-Propenoic acid
   75566.2414  0.0194 -7.4421 3  188.6659 43  72503 3032118 3      2217 6        s-trans-Propenoic acid
   75566.2414  0.0194 -7.4421 3  188.6659 43  72503 3032118 4      2217 5        s-trans-Propenoic acid
   75606.9116  0.0038 -7.0621 3  156.3497 53  72503 30326 620      25 817        s-trans-Propenoic acid
   75610.7164  0.0017 -6.0439 3   75.1762 19  72503 303 9 6 4       9 5 5        s-trans-Propenoic acid
   75633.6858  0.0030 -5.4955 3  194.2147 61  72503 30330 921      30 822        s-trans-Propenoic acid
   75671.4172  0.0008 -5.9709 3   88.0869 21  72503 30310 9 1       9 9 0        s-trans-Propenoic acid
   75671.4172  0.0008 -5.9709 3   88.0869 21  72503 30310 9 2       9 9 1        s-trans-Propenoic acid
   75749.3783  0.0387 -6.5172 3  459.1114105  72503 303521438      521439        s-trans-Propenoic acid
   75762.9314  0.0021 -6.4247 3   87.3680 31  72503 30315 213      15 214        s-trans-Propenoic acid
   75768.7780  0.0793 -6.6992 3  574.2211119  72503 303591643      591644        s-trans-Propenoic acid
   75771.9412  0.0008 -5.6840 3   84.1571 21  72503 30310 8 3       9 8 2        s-trans-Propenoic acid
   75771.9430  0.0008 -5.6840 3   84.1571 21  72503 30310 8 2       9 8 1        s-trans-Propenoic acid
   75834.5787  0.0021 -5.9452 3   87.3656 31  72503 30315 213      15 114        s-trans-Propenoic acid
   75857.2170  0.0018 -6.1479 3   72.8868 17  72503 303 8 6 2       8 5 3        s-trans-Propenoic acid
   75873.5856  0.0426 -7.2533 3  295.0591 61  72503 3033023 7      312210        s-trans-Propenoic acid
   75873.5856  0.0426 -7.2533 3  295.0591 61  72503 3033023 8      3122 9        s-trans-Propenoic acid
   75875.9840  0.0018 -6.1477 3   72.8862 17  72503 303 8 6 3       8 5 4        s-trans-Propenoic acid
   75919.2571  0.0009 -5.5239 3   80.6934 21  72503 30310 7 4       9 7 3        s-trans-Propenoic acid
   75919.3893  0.0009 -5.5239 3   80.6934 21  72503 30310 7 3       9 7 2        s-trans-Propenoic acid
   76015.1775  0.0794 -7.3151 3  433.3948 79  72503 303392811      402714        s-trans-Propenoic acid
   76015.1775  0.0794 -7.3151 3  433.3948 79  72503 303392812      402713        s-trans-Propenoic acid
   76042.0771  0.0017 -6.4449 3   95.9985 33  72503 30316 512      16 313        s-trans-Propenoic acid
   76064.0446  0.0018 -6.2996 3   70.8559 15  72503 303 7 6 1       7 5 2        s-trans-Propenoic acid
   76068.4673  0.0018 -6.2996 3   70.8558 15  72503 303 7 6 2       7 5 3        s-trans-Propenoic acid
   76100.1112  0.0024 -6.3486 3  147.0386 49  72503 30324 817      23 914        s-trans-Propenoic acid
   76113.9137  0.0972 -7.4121 3  789.9824129  72503 303643034      633133        s-trans-Propenoic acid
   76113.9137  0.0972 -7.4121 3  789.9824129  72503 303643035      633132        s-trans-Propenoic acid
   76147.8373  0.0009 -5.4165 3   77.6983 21  72503 30310 6 5       9 6 4        s-trans-Propenoic acid
   76151.4624  0.0026 -5.4877 3  220.2546 67  72503 30333 924      33 825        s-trans-Propenoic acid
   76153.2919  0.0009 -5.4164 3   77.6984 21  72503 30310 6 4       9 6 3        s-trans-Propenoic acid
   76198.7294  0.0018 -6.5717 3   69.0834 13  72503 303 6 6 0       6 5 1        s-trans-Propenoic acid
   76199.4779  0.0018 -6.5717 3   69.0833 13  72503 303 6 6 1       6 5 2        s-trans-Propenoic acid
   76215.8249  0.0065 -6.4822 3  261.0606 71  72503 303351422      341519        s-trans-Propenoic acid
   76223.9511  0.0065 -6.4822 3  261.0606 71  72503 303351421      341520        s-trans-Propenoic acid
   76316.2239  0.0015 -5.6442 3  107.5001 37  72503 30318 613      18 514        s-trans-Propenoic acid
   76317.5252  0.0536 -7.0396 3  590.2069111  72503 303552530      542629        s-trans-Propenoic acid
   76317.5252  0.0536 -7.0396 3  590.2069111  72503 303552531      542628        s-trans-Propenoic acid
   76324.1862  0.0070 -6.2357 3  239.0762 71  72503 30335 926      35 927        s-trans-Propenoic acid
   76490.1163  0.0010 -5.3386 3   75.1762 21  72503 30310 5 6       9 5 5        s-trans-Propenoic acid
   76616.2902  0.0010 -5.3371 3   75.1784 21  72503 30310 5 5       9 5 4        s-trans-Propenoic acid
   76617.9526  0.0013 -6.1568 3   62.8393 13  72503 303 6 3 4       5 2 3        s-trans-Propenoic acid
   76648.6310  0.0010 -5.2839 3   73.1247 21  72503 30310 4 7       9 4 6        s-trans-Propenoic acid
   76692.3558  0.0011 -5.7390 3   72.3173 23  72503 30311 110      10 2 9        s-trans-Propenoic acid
   76714.2271  0.0036 -5.5546 3  149.3619 51  72503 30325 619      25 520        s-trans-Propenoic acid
   76738.0559  0.0021 -6.5428 3   91.8616 31  72503 30315 511      15 312        s-trans-Propenoic acid
   76772.6082  0.0250 -6.7358 3  422.2562 93  72503 303462027      452124        s-trans-Propenoic acid
   76772.6137  0.0250 -6.7358 3  422.2562 93  72503 303462026      452125        s-trans-Propenoic acid
   76810.9928  0.0017 -5.6825 3  104.9380 37  72503 30318 514      18 415        s-trans-Propenoic acid
   76993.1982  0.0034 -6.3198 3  101.0025 35  72503 30317 512      16 611        s-trans-Propenoic acid
   77032.5934  0.0016 -6.3579 3  100.3272 35  72503 30317 513      17 314        s-trans-Propenoic acid
   77051.3627  0.0093 -6.9477 3  232.0793 71  72503 30335 828      34 925        s-trans-Propenoic acid
   77074.2529  0.0020 -5.9322 3   87.3680 31  72503 30315 313      15 214        s-trans-Propenoic acid
   77079.1452  0.0024 -6.4162 3  128.6246 45  72503 30322 617      21 714        s-trans-Propenoic acid
   77145.9002  0.0020 -6.4111 3   87.3656 31  72503 30315 313      15 114        s-trans-Propenoic acid
   77146.5059  0.0039 -6.5607 3  140.6303 49  72503 30324 619      23 716        s-trans-Propenoic acid
   77395.3887  0.0371 -7.2634 3  269.7260 57  72503 3032822 6      2921 9        s-trans-Propenoic acid
   77395.3887  0.0371 -7.2634 3  269.7260 57  72503 3032822 7      2921 8        s-trans-Propenoic acid
   77576.0357  0.0709 -7.2806 3  401.2218 75  72503 303372710      382613        s-trans-Propenoic acid
   77576.0357  0.0709 -7.2806 3  401.2218 75  72503 303372711      382612        s-trans-Propenoic acid
   77621.3301  0.1206 -7.4534 3  564.6126 93  72503 303463214      473117        s-trans-Propenoic acid
   77621.3301  0.1206 -7.4534 3  564.6126 93  72503 303463215      473116        s-trans-Propenoic acid
   77629.8261  0.0011 -5.1762 3   72.3173 23  72503 30311 210      10 2 9        s-trans-Propenoic acid
   77723.3840  0.0085 -6.4995 3  286.2093 75  72503 303371523      361620        s-trans-Propenoic acid
   77726.2396  0.0085 -6.4995 3  286.2093 75  72503 303371522      361621        s-trans-Propenoic acid
   77838.3836  0.0011 -5.5426 3   72.8296 25  72503 30312 012      11 111        s-trans-Propenoic acid
   77846.2327  0.0071 -6.7933 3  186.0297 61  72503 30330 724      29 821        s-trans-Propenoic acid
   77853.2136  0.0011 -5.1221 3   72.8296 25  72503 30312 112      11 111        s-trans-Propenoic acid
   77869.2862  0.0011 -5.1219 3   72.8285 25  72503 30312 012      11 011        s-trans-Propenoic acid
   77884.1162  0.0011 -5.5420 3   72.8285 25  72503 30312 112      11 011        s-trans-Propenoic acid
   77974.6335  0.0609 -7.0913 3  630.4949115  72503 303572631      562730        s-trans-Propenoic acid
   77974.6335  0.0609 -7.0913 3  630.4949115  72503 303572632      562729        s-trans-Propenoic acid
   78092.1153  0.0011 -5.2673 3   73.1655 21  72503 30310 4 6       9 4 5        s-trans-Propenoic acid
   78182.9058  0.0025 -6.3325 3  163.8503 53  72503 30326 918      251015        s-trans-Propenoic acid
   78251.3027  0.0418 -7.3649 3  457.8460107  72503 303531242      521339        s-trans-Propenoic acid
   78356.3866  0.0011 -5.1671 3   72.2618 23  72503 30311 110      10 1 9        s-trans-Propenoic acid
   78388.4280  0.0037 -5.5053 3  173.3322 57  72503 30328 721      28 622        s-trans-Propenoic acid
   78392.6434  0.0296 -6.7721 3  455.7181 97  72503 303482128      472225        s-trans-Propenoic acid
   78392.6452  0.0296 -6.7721 3  455.7181 97  72503 303482127      472226        s-trans-Propenoic acid
   78488.6700  0.0030 -6.4605 3  134.4677 47  72503 30323 618      22 715        s-trans-Propenoic acid
   78537.6867  0.0015 -5.6092 3  112.3385 39  72503 30319 614      19 515        s-trans-Propenoic acid
   78590.9060  0.0032 -5.5222 3  147.1121 49  72503 30324 816      24 717        s-trans-Propenoic acid
   78781.4016  0.0015 -6.0016 3   61.5963  9  72503 303 4 4 1       3 3 0        s-trans-Propenoic acid
   78797.4353  0.0015 -6.0015 3   61.5958  9  72503 303 4 4 0       3 3 1        s-trans-Propenoic acid
   78904.3077  0.0320 -7.2907 3  245.8637 53  72503 3032621 5      2720 8        s-trans-Propenoic acid
   78904.3077  0.0320 -7.2907 3  245.8637 53  72503 3032621 6      2720 7        s-trans-Propenoic acid
   79065.6222  0.0024 -6.6526 3   87.9240 29  72503 30314 510      14 311        s-trans-Propenoic acid
   79127.1748  0.0631 -7.2551 3  370.5172 71  72503 3033526 9      362512        s-trans-Propenoic acid
   79127.1748  0.0631 -7.2551 3  370.5172 71  72503 303352610      362511        s-trans-Propenoic acid
   79141.1080  0.0022 -6.1203 3   81.5599 27  72503 30313 310      12 4 9        s-trans-Propenoic acid
   79193.8600  0.0030 -6.2171 3  114.4995 41  72503 30320 416      20 417        s-trans-Propenoic acid
   79205.3251  0.1094 -7.3968 3  527.0791 89  72503 303443113      453016        s-trans-Propenoic acid
   79205.3251  0.1094 -7.3968 3  527.0791 89  72503 303443114      453015        s-trans-Propenoic acid
   79241.4142  0.0020 -5.7560 3   97.8344 35  72503 30317 414      17 315        s-trans-Propenoic acid
   79253.3072  0.0109 -6.5207 3  312.8297 79  72503 303391624      381721        s-trans-Propenoic acid
   79254.2984  0.0109 -6.5207 3  312.8297 79  72503 303391623      381722        s-trans-Propenoic acid
   79293.8570  0.0011 -5.7064 3   72.2618 23  72503 30311 210      10 1 9        s-trans-Propenoic acid
   79335.1583  0.0011 -5.1975 3   70.9073 21  72503 30310 2 8       9 2 7        s-trans-Propenoic acid
   79423.2942  0.0022 -5.6163 3  110.2785 37  72503 30318 711      18 612        s-trans-Propenoic acid
   79551.9909  0.0016 -6.2797 3  104.8465 37  72503 30318 514      18 315        s-trans-Propenoic acid
   79635.1724  0.0689 -7.1469 3  672.2474119  72503 303592732      582831        s-trans-Propenoic acid
   79635.1724  0.0689 -7.1469 3  672.2474119  72503 303592733      582830        s-trans-Propenoic acid
   79642.8759  0.0019 -6.2805 3   97.8210 35  72503 30317 414      17 215        s-trans-Propenoic acid
   79768.2363  0.0026 -6.3296 3  182.1393 57  72503 303281019      271116        s-trans-Propenoic acid
   79768.9436  0.0030 -6.2245 3   90.5614 31  72503 30315 411      14 510        s-trans-Propenoic acid
   79978.5401  0.0036 -5.4722 3  199.9971 63  72503 30331 823      31 724        s-trans-Propenoic acid
   80018.9708  0.0347 -6.8124 3  490.6481101  72503 303502229      492326        s-trans-Propenoic acid
   80018.9714  0.0347 -6.8124 3  490.6481101  72503 303502228      492327        s-trans-Propenoic acid
   80107.2272  0.0035 -5.4680 3  186.0297 59  72503 30329 920      29 821        s-trans-Propenoic acid
   80113.2233  0.0028 -5.6480 3  114.4688 41  72503 30320 416      20 317        s-trans-Propenoic acid
   80119.7167  0.0173 -7.1150 3  333.4378 89  72503 303441035      431132        s-trans-Propenoic acid
   80154.9142  0.0027 -5.4574 3  241.6221 71  72503 303351025      35 926        s-trans-Propenoic acid
   80154.9860  0.0060 -6.1774 3  208.6799 65  72503 30332 824      32 825        s-trans-Propenoic acid
   80334.8324  0.0028 -6.3074 3  163.8471 53  72503 30326 917      251016        s-trans-Propenoic acid
   80399.2119  0.0274 -7.3404 3  223.4728 49  72503 3032420 4      2519 7        s-trans-Propenoic acid
   80399.2119  0.0274 -7.3404 3  223.4728 49  72503 3032420 5      2519 6        s-trans-Propenoic acid
   80544.4565  0.0023 -6.2985 3  137.4230 47  72503 30323 717      22 814        s-trans-Propenoic acid
   80649.0395  0.0027 -6.3196 3  182.1381 57  72503 303281018      271117        s-trans-Propenoic acid
   80667.9671  0.0558 -7.2397 3  341.2815 67  72503 3033325 8      342411        s-trans-Propenoic acid
   80667.9671  0.0558 -7.2397 3  341.2815 67  72503 3033325 9      342410        s-trans-Propenoic acid
   80677.7523  0.0021 -6.6107 3   81.2437 29  72503 30314 113      14 114        s-trans-Propenoic acid
   80681.0590  0.0021 -6.1770 3   81.2436 29  72503 30314 113      14 014        s-trans-Propenoic acid
   80780.9342  0.0989 -7.3469 3  491.0115 85  72503 303423012      432915        s-trans-Propenoic acid
   80780.9342  0.0989 -7.3469 3  491.0115 85  72503 303423013      432914        s-trans-Propenoic acid
   80801.9339  0.0137 -6.5458 3  340.9212 83  72503 303411725      401822        s-trans-Propenoic acid
   80802.2742  0.0137 -6.5458 3  340.9212 83  72503 303411724      401823        s-trans-Propenoic acid
   80806.1731  0.0053 -7.0673 3  178.1346 59  72503 30329 623      28 820        s-trans-Propenoic acid
   80818.2425  0.0021 -6.1756 3   81.2437 29  72503 30314 213      14 114        s-trans-Propenoic acid
   80821.5492  0.0021 -6.6093 3   81.2436 29  72503 30314 213      14 014        s-trans-Propenoic acid
   80894.5951  0.0011 -5.1964 3   71.7865 21  72503 30310 3 7       9 3 6        s-trans-Propenoic acid
   80926.5850  0.0026 -5.4554 3  251.3948 73  72503 303361026      36 927        s-trans-Propenoic acid
   80980.0823  0.3698 -7.2844 3  935.1888155  72503 303772156      772157        s-trans-Propenoic acid
   81057.5540  0.0031 -6.2884 3  147.0298 49  72503 30324 816      23 915        s-trans-Propenoic acid
   81097.5602  0.0127 -6.2751 3  319.0116 85  72503 303421131      421132        s-trans-Propenoic acid
   81169.0368  0.0029 -6.3343 3  201.9036 61  72503 303301120      291217        s-trans-Propenoic acid
   81299.0392  0.0776 -7.2062 3  715.4635123  72503 303612833      602932        s-trans-Propenoic acid
   81299.0392  0.0776 -7.2062 3  715.4635123  72503 303612834      602931        s-trans-Propenoic acid
   81444.9319  0.0014 -6.0847 3   64.4529 15  72503 303 7 3 5       6 2 4        s-trans-Propenoic acid
   81514.6968  0.0030 -6.3305 3  201.9032 61  72503 303301119      291218        s-trans-Propenoic acid
   81527.7102  0.0016 -5.5723 3  117.4055 41  72503 30320 615      20 516        s-trans-Propenoic acid
   81650.9783  0.0403 -6.8565 3  527.0454105  72503 303522330      512427        s-trans-Propenoic acid
   81650.9785  0.0403 -6.8565 3  527.0454105  72503 303522329      512428        s-trans-Propenoic acid
   81708.6642  0.0035 -6.9690 3  163.2866 55  72503 30327 621      26 818        s-trans-Propenoic acid
   81712.6143  0.0019 -5.6326 3  109.6129 39  72503 30319 515      19 416        s-trans-Propenoic acid
   81878.8068  0.0233 -7.4208 3  202.5534 45  72503 3032219 3      2318 6        s-trans-Propenoic acid
   81878.8068  0.0233 -7.4208 3  202.5534 45  72503 3032219 4      2318 5        s-trans-Propenoic acid
   81951.5224  0.0035 -5.4502 3  229.3457 69  72503 30334 925      34 826        s-trans-Propenoic acid
   82011.1375  0.0037 -6.1570 3  133.9240 47  72503 30323 518      23 519        s-trans-Propenoic acid
   82197.7011  0.0492 -7.2361 3  313.5152 63  72503 3033124 7      322310        s-trans-Propenoic acid
   82197.7011  0.0492 -7.2361 3  313.5152 63  72503 3033124 8      3223 9        s-trans-Propenoic acid
   82224.9228  0.0034 -5.4420 3  232.0793 69  72503 303341024      34 925        s-trans-Propenoic acid
   82304.0518  0.0011 -5.1444 3   73.9754 23  72503 30311 3 9      10 3 8        s-trans-Propenoic acid
   82347.7411  0.0891 -7.3043 3  456.4103 81  72503 303402911      412814        s-trans-Propenoic acid
   82347.7411  0.0891 -7.3043 3  456.4103 81  72503 303402912      412813        s-trans-Propenoic acid
   82366.1795  0.0169 -6.5747 3  370.4831 87  72503 303431826      421923        s-trans-Propenoic acid
   82366.2953  0.0169 -6.5747 3  370.4831 87  72503 303431825      421924        s-trans-Propenoic acid
   82459.5080  0.0020 -5.6153 3  105.5229 35  72503 30317 710      17 611        s-trans-Propenoic acid
   82460.2409  0.0025 -6.2398 3  102.0960 37  72503 30318 315      18 316        s-trans-Propenoic acid
   82464.1099  0.0051 -6.1428 3  181.0198 59  72503 30329 722      29 723        s-trans-Propenoic acid
   82522.5262  0.0022 -6.3510 3   91.0044 33  72503 30316 214      16 215        s-trans-Propenoic acid
   82530.1661  0.0037 -6.3442 3  223.1421 65  72503 303321221      311318        s-trans-Propenoic acid
   82558.5287  0.0022 -5.8789 3   91.0032 33  72503 30316 214      16 115        s-trans-Propenoic acid
   82661.5672  0.0037 -6.3428 3  223.1419 65  72503 303321220      311319        s-trans-Propenoic acid
   82675.2234  0.0024 -5.7245 3  102.0888 37  72503 30318 315      18 216        s-trans-Propenoic acid
   82739.3391  0.0027 -6.7734 3   84.1998 27  72503 30313 5 9      13 310        s-trans-Propenoic acid
   82966.1562  0.0870 -7.2692 3  760.1424127  72503 303632934      623033        s-trans-Propenoic acid
   82966.1562  0.0870 -7.2692 3  760.1424127  72503 303632935      623032        s-trans-Propenoic acid
   82991.3538  0.0013 -6.1567 3   62.6658 13  72503 303 6 3 3       5 2 4        s-trans-Propenoic acid
   83105.3256  0.0044 -6.1345 3  156.0996 53  72503 30326 620      26 621        s-trans-Propenoic acid
   83160.5061  0.0014 -5.8362 3   76.7208 25  72503 30312 210      11 3 9        s-trans-Propenoic acid
   83223.0336  0.0050 -7.0170 3  180.9945 59  72503 30329 722      28 919        s-trans-Propenoic acid
   83226.7227  0.0009 -5.9008 3   95.0034 23  72503 3031110 1      1010 0        s-trans-Propenoic acid
   83226.7227  0.0009 -5.9008 3   95.0034 23  72503 3031110 2      1010 1        s-trans-Propenoic acid
   83257.1088  0.0021 -5.8720 3   91.0044 33  72503 30316 314      16 215        s-trans-Propenoic acid
   83288.1795  0.0465 -6.9044 3  564.9093109  72503 303542431      532528        s-trans-Propenoic acid
   83288.1796  0.0465 -6.9044 3  564.9093109  72503 303542430      532529        s-trans-Propenoic acid
   83293.1113  0.0021 -6.3439 3   91.0032 33  72503 30316 314      16 115        s-trans-Propenoic acid
   83322.3321  0.0018 -6.2083 3  109.5592 39  72503 30319 515      19 316        s-trans-Propenoic acid
   83322.3520  0.0009 -5.6108 3   90.6110 23  72503 30311 9 3      10 9 2        s-trans-Propenoic acid
   83322.3521  0.0009 -5.6108 3   90.6110 23  72503 30311 9 2      10 9 1        s-trans-Propenoic acid
   83424.9449  0.0036 -6.2541 3  131.6850 45  72503 30322 715      21 814        s-trans-Propenoic acid
   83428.5344  0.0041 -6.9745 3  170.5493 57  72503 30328 622      27 819        s-trans-Propenoic acid
   83456.0686  0.0009 -5.4475 3   86.6845 23  72503 30311 8 4      10 8 3        s-trans-Propenoic acid
   83456.0794  0.0009 -5.4475 3   86.6845 23  72503 30311 8 3      10 8 2        s-trans-Propenoic acid
   83468.2897  0.0011 -5.6095 3   74.9068 25  72503 30312 111      11 210        s-trans-Propenoic acid
   83585.6631  0.2175 -6.9882 3  783.1680141  72503 303701951      701952        s-trans-Propenoic acid
   83652.6090  0.0010 -5.3368 3   83.2258 23  72503 30311 7 5      10 7 4        s-trans-Propenoic acid
   83653.1640  0.0010 -5.3368 3   83.2258 23  72503 30311 7 4      10 7 3        s-trans-Propenoic acid
   83715.5692  0.0430 -7.2465 3  287.2189 59  72503 3032923 6      3022 9        s-trans-Propenoic acid
   83715.5692  0.0430 -7.2465 3  287.2189 59  72503 3032923 7      3022 8        s-trans-Propenoic acid
   83850.8445  0.0033 -5.5460 3  133.8626 47  72503 30323 518      23 419        s-trans-Propenoic acid
   83884.0639  0.0030 -5.4937 3  140.6303 47  72503 30323 815      23 716        s-trans-Propenoic acid
   83905.2771  0.0799 -7.2698 3  423.2763 77  72503 303382810      392713        s-trans-Propenoic acid
   83905.2771  0.0799 -7.2698 3  423.2763 77  72503 303382811      392712        s-trans-Propenoic acid
   83908.2895  0.0048 -6.3583 3  245.8540 69  72503 303341322      331419        s-trans-Propenoic acid
   83943.5827  0.0206 -6.6074 3  401.5149 91  72503 303451927      442024        s-trans-Propenoic acid
   83943.6218  0.0206 -6.6074 3  401.5149 91  72503 303451926      442025        s-trans-Propenoic acid
   83955.3507  0.0010 -5.2554 3   80.2384 23  72503 30311 6 6      10 6 5        s-trans-Propenoic acid
   83957.0041  0.0048 -6.3578 3  245.8539 69  72503 303341321      331420        s-trans-Propenoic acid
   83972.4242  0.0010 -5.2552 3   80.2386 23  72503 30311 6 5      10 6 4        s-trans-Propenoic acid
   83978.7741  0.0011 -5.0739 3   74.9068 25  72503 30312 211      11 210        s-trans-Propenoic acid
   84024.6110  0.0281 -6.3762 3  413.4118 99  72503 303491336      491337        s-trans-Propenoic acid
   84076.6000  0.0012 -5.4422 3   75.4265 27  72503 30313 013      12 112        s-trans-Propenoic acid
   84083.6365  0.0012 -5.0256 3   75.4265 27  72503 30313 113      12 112        s-trans-Propenoic acid
   84091.4300  0.0012 -5.0255 3   75.4260 27  72503 30313 013      12 012        s-trans-Propenoic acid
   84098.4665  0.0012 -5.4420 3   75.4260 27  72503 30313 113      12 012        s-trans-Propenoic acid
   84331.6687  0.0011 -5.1514 3   75.6814 23  72503 30311 4 8      10 4 7        s-trans-Propenoic acid
   84364.7897  0.0011 -5.1933 3   77.7277 23  72503 30311 5 7      10 5 6        s-trans-Propenoic acid
   84405.7600  0.0011 -5.0691 3   74.8755 25  72503 30312 111      11 110        s-trans-Propenoic acid
   84534.2312  0.0016 -6.7481 3   61.6331 13  72503 303 6 2 4       5 1 5        s-trans-Propenoic acid
   84636.4667  0.0971 -7.3360 3  806.2831131  72503 303653035      643134        s-trans-Propenoic acid
   84636.4667  0.0971 -7.3360 3  806.2831131  72503 303653036      643133        s-trans-Propenoic acid
   84665.9122  0.0011 -5.1902 3   77.7341 23  72503 30311 5 6      10 5 5        s-trans-Propenoic acid
   84674.6309  0.0110 -7.2942 3  274.5808 79  72503 30339 831      381028        s-trans-Propenoic acid
   84688.4827  0.0019 -5.6253 3  101.0706 33  72503 30316 7 9      16 610        s-trans-Propenoic acid
   84758.7288  0.0034 -5.4353 3  261.3706 75  72503 303371027      37 928        s-trans-Propenoic acid
   84850.5019  0.0025 -6.2423 3  153.2504 51  72503 30325 818      24 915        s-trans-Propenoic acid
   84916.2444  0.0012 -5.5930 3   74.8755 25  72503 30312 211      11 110        s-trans-Propenoic acid
   84930.1856  0.0533 -6.9560 3  604.2390113  72503 303562531      552630        s-trans-Propenoic acid
   84930.1856  0.0533 -6.9560 3  604.2390113  72503 303562532      552629        s-trans-Propenoic acid
   85085.8658  0.1192 -6.7366 3  645.5142127  72503 303631746      631747        s-trans-Propenoic acid
   85201.2390  0.0021 -5.7005 3  102.0960 37  72503 30318 415      18 316        s-trans-Propenoic acid
   85220.6547  0.0374 -7.2742 3  262.3931 55  72503 3032722 5      2821 8        s-trans-Propenoic acid
   85220.6547  0.0374 -7.2742 3  262.3931 55  72503 3032722 6      2821 7        s-trans-Propenoic acid
   85276.4219  0.0018 -5.5338 3  122.6952 43  72503 30321 616      21 517        s-trans-Propenoic acid
   85293.3455  0.0603 -6.5316 3  522.2538113  72503 303561541      561542        s-trans-Propenoic acid
   85320.0914  0.0064 -6.3763 3  270.0386 73  72503 303361423      351520        s-trans-Propenoic acid
   85337.7879  0.0064 -6.3762 3  270.0386 73  72503 303361422      351521        s-trans-Propenoic acid
   85416.2215  0.0021 -6.2135 3  102.0888 37  72503 30318 415      18 216        s-trans-Propenoic acid
   85423.8035  0.0629 -7.3845 3  521.0130115  72503 303571345      561442        s-trans-Propenoic acid
   85453.0148  0.0714 -7.2443 3  391.6102 73  72503 3033627 9      372612        s-trans-Propenoic acid
   85453.0148  0.0714 -7.2443 3  391.6102 73  72503 303362710      372611        s-trans-Propenoic acid
   85453.8061  0.0016 -5.5398 3  114.9583 39  72503 30319 713      19 614        s-trans-Propenoic acid
   85489.6893  0.0014 -6.0110 3   66.3427 17  72503 303 8 3 6       7 2 5        s-trans-Propenoic acid
   85532.2116  0.0247 -6.6439 3  434.0159 95  72503 303472028      462125        s-trans-Propenoic acid
   85532.2247  0.0247 -6.6439 3  434.0159 95  72503 303472027      462126        s-trans-Propenoic acid
   85567.7662  0.0017 -5.5610 3  110.0457 37  72503 30318 712      18 613        s-trans-Propenoic acid
   85737.6570  0.0037 -5.4339 3  178.1346 57  72503 30328 919      28 820        s-trans-Propenoic acid
   85781.6855  0.0016 -5.5185 3  120.1250 41  72503 30320 714      20 615        s-trans-Propenoic acid
   85891.8677  0.0078 -7.1362 3  222.7948 69  72503 30334 727      33 924        s-trans-Propenoic acid
   85959.3411  0.0011 -5.0931 3   73.5536 23  72503 30311 2 9      10 2 8        s-trans-Propenoic acid
   85980.8997  0.0017 -5.5835 3  105.3925 35  72503 30317 711      17 612        s-trans-Propenoic acid
   86126.6903  0.0016 -7.2143 3   61.5800 13  72503 303 6 2 4       5 0 5        s-trans-Propenoic acid
   86273.0711  0.0016 -5.9275 3   62.6106 11  72503 303 5 4 2       4 3 1        s-trans-Propenoic acid
   86278.0402  0.0018 -5.6455 3   96.9110 31  72503 30315 7 8      15 6 9        s-trans-Propenoic acid
   86386.2578  0.0016 -5.9267 3   62.6071 11  72503 303 5 4 1       4 3 2        s-trans-Propenoic acid
   86457.7179  0.0037 -5.4780 3  155.9877 53  72503 30326 620      26 521        s-trans-Propenoic acid
   86496.5806  0.0061 -6.5868 3  178.1346 59  72503 30329 723      28 820        s-trans-Propenoic acid
   86561.9569  0.0017 -5.6084 3  101.0025 33  72503 30316 710      16 611        s-trans-Propenoic acid
   86576.6851  0.0607 -7.0114 3  645.0338117  72503 303582632      572731        s-trans-Propenoic acid
   86576.6851  0.0607 -7.0114 3  645.0338117  72503 303582633      572730        s-trans-Propenoic acid
   86593.7852  0.0040 -5.4128 3  222.7948 67  72503 303331023      33 924        s-trans-Propenoic acid
   86688.3348  0.0016 -5.4962 3  125.5397 43  72503 30321 715      21 616        s-trans-Propenoic acid
   86711.9164  0.0324 -7.3244 3  239.0381 51  72503 3032521 4      2620 7        s-trans-Propenoic acid
   86711.9164  0.0324 -7.3244 3  239.0381 51  72503 3032521 5      2620 6        s-trans-Propenoic acid
   86766.5997  0.0084 -6.3981 3  295.6955 77  72503 303381524      371621        s-trans-Propenoic acid
   86772.9208  0.0084 -6.3980 3  295.6955 77  72503 303381523      371622        s-trans-Propenoic acid
   86798.8486  0.0093 -6.1827 3  282.3187 79  72503 303391029      391030        s-trans-Propenoic acid
   86857.4959  0.0012 -5.1247 3   75.7704 23  72503 30311 4 7      10 4 6        s-trans-Propenoic acid
   86921.2308  0.0115 -6.8918 3  274.5808 79  72503 30339 931      381028        s-trans-Propenoic acid
   86990.3603  0.0636 -7.2288 3  361.4124 69  72503 3033426 8      352511        s-trans-Propenoic acid
   86990.3603  0.0636 -7.2288 3  361.4124 69  72503 3033426 9      352510        s-trans-Propenoic acid
   86990.9445  0.0022 -6.5490 3   84.4639 31  72503 30315 114      15 115        s-trans-Propenoic acid
   86992.4857  0.0022 -6.1181 3   84.4638 31  72503 30315 114      15 015        s-trans-Propenoic acid
   87062.5918  0.0022 -6.1174 3   84.4639 31  72503 30315 214      15 115        s-trans-Propenoic acid
   87064.1330  0.0022 -6.5484 3   84.4638 31  72503 30315 214      15 015        s-trans-Propenoic acid
   87074.1135  0.0024 -6.2392 3  143.4284 49  72503 30324 718      23 815        s-trans-Propenoic acid
   87109.7541  0.1100 -7.3429 3  515.6981 87  72503 303433112      443015        s-trans-Propenoic acid
   87109.7541  0.1100 -7.3429 3  515.6981 87  72503 303433113      443014        s-trans-Propenoic acid
   87120.4136  0.0020 -5.5838 3  114.4995 41  72503 30320 516      20 417        s-trans-Propenoic acid
   87130.5508  0.0293 -6.6841 3  467.9855 99  72503 303492129      482226        s-trans-Propenoic acid
   87130.5552  0.0293 -6.6841 3  467.9855 99  72503 303492128      482227        s-trans-Propenoic acid
   87203.8626  0.0017 -5.6371 3   96.8779 31  72503 30315 7 9      15 610        s-trans-Propenoic acid
   87221.5312  0.0032 -5.4269 3  285.2140 79  72503 303391128      391029        s-trans-Propenoic acid
   87317.7822  0.0029 -6.9031 3   80.7066 25  72503 30312 5 8      12 3 9        s-trans-Propenoic acid
   87405.9478  0.0018 -5.6749 3   93.0347 29  72503 30314 7 7      14 6 8        s-trans-Propenoic acid
   87470.4699  0.0026 -6.2218 3  170.5643 55  72503 30327 919      261016        s-trans-Propenoic acid
   87502.7127  0.0039 -6.1943 3  117.8087 41  72503 30320 614      19 713        s-trans-Propenoic acid
   87829.8488  0.0017 -5.6710 3   93.0197 29  72503 30314 7 8      14 6 9        s-trans-Propenoic acid
   87868.7743  0.0029 -6.1264 3  119.5958 43  72503 30321 417      21 418        s-trans-Propenoic acid
   88039.7769  0.0019 -6.1423 3  114.4688 41  72503 30320 516      20 317        s-trans-Propenoic acid
   88154.5175  0.0040 -5.4351 3  180.8300 59  72503 30329 722      29 623        s-trans-Propenoic acid
   88214.2287  0.0018 -5.7134 3   89.4342 27  72503 30313 7 6      13 6 7        s-trans-Propenoic acid
   88227.4282  0.0688 -7.0705 3  687.2929121  72503 303602733      592832        s-trans-Propenoic acid
   88227.4282  0.0688 -7.0705 3  687.2929121  72503 303602734      592831        s-trans-Propenoic acid
   88243.8656  0.0108 -6.4235 3  322.8239 81  72503 303401625      391722        s-trans-Propenoic acid
   88246.0916  0.0108 -6.4235 3  322.8239 81  72503 303401624      391723        s-trans-Propenoic acid
   88287.0424  0.0017 -5.4720 3  131.1957 45  72503 30322 716      22 617        s-trans-Propenoic acid
   88288.5313  0.0262 -7.1035 3  386.2902 97  72503 303481138      471235        s-trans-Propenoic acid
   88381.9760  0.0028 -5.5762 3  119.5787 43  72503 30321 417      21 318        s-trans-Propenoic acid
   88392.9484  0.0018 -5.7117 3   89.4279 27  72503 30313 7 7      13 6 8        s-trans-Propenoic acid
   88445.3553  0.0064 -7.0256 3  208.4034 65  72503 30332 824      311021        s-trans-Propenoic acid
   88516.6443  0.0563 -7.2252 3  332.6837 65  72503 3033225 7      332410        s-trans-Propenoic acid
   88516.6443  0.0563 -7.2252 3  332.6837 65  72503 3033225 8      3324 9        s-trans-Propenoic acid
   88596.7259  0.0027 -5.4712 3  134.4677 45  72503 30322 814      22 715        s-trans-Propenoic acid
   88673.7373  0.0995 -7.3001 3  480.1367 83  72503 303413011      422914        s-trans-Propenoic acid
   88673.7373  0.0995 -7.3001 3  480.1367 83  72503 303413012      422913        s-trans-Propenoic acid
   88731.9689  0.0039 -5.4116 3  274.5808 77  72503 303381127      381028        s-trans-Propenoic acid
   88737.4060  0.0345 -6.7281 3  503.4230103  72503 303512230      502327        s-trans-Propenoic acid
   88737.4074  0.0345 -6.7281 3  503.4230103  72503 303512229      502328        s-trans-Propenoic acid
   88798.2444  0.0033 -5.4245 3  296.0678 81  72503 303401129      401030        s-trans-Propenoic acid
   88802.1121  0.0018 -5.7618 3   86.1038 25  72503 30312 7 5      12 6 6        s-trans-Propenoic acid
   88870.7767  0.0018 -5.7612 3   86.1014 25  72503 30312 7 6      12 6 7        s-trans-Propenoic acid
   88924.3741  0.0015 -5.9319 3   68.4985 19  72503 303 9 3 7       8 2 6        s-trans-Propenoic acid
   89107.9446  0.0023 -6.2864 3   94.8487 35  72503 30317 215      17 216        s-trans-Propenoic acid
   89125.8085  0.0023 -5.8203 3   94.8481 35  72503 30317 215      17 116        s-trans-Propenoic acid
   89161.3540  0.0011 -5.0387 3   76.7208 25  72503 30312 310      11 3 9        s-trans-Propenoic acid
   89234.6598  0.0019 -5.8227 3   83.0396 23  72503 30311 7 4      11 6 5        s-trans-Propenoic acid
   89240.4864  0.0027 -6.2195 3  189.3582 59  72503 303291020      281117        s-trans-Propenoic acid
   89258.3246  0.0019 -5.8224 3   83.0388 23  72503 30311 7 5      11 6 6        s-trans-Propenoic acid
   89274.2759  0.0043 -5.4110 3  208.3757 65  72503 30332 824      32 725        s-trans-Propenoic acid
   89276.4340  0.0012 -5.0682 3   74.4849 23  72503 30311 3 8      10 3 7        s-trans-Propenoic acid
   89454.2638  0.0020 -6.2397 3  117.1411 41  72503 30320 615      20 416        s-trans-Propenoic acid
   89509.4063  0.0022 -5.8168 3   94.8487 35  72503 30317 315      17 216        s-trans-Propenoic acid
   89525.1086  0.0084 -6.7087 3  222.7948 69  72503 30334 827      33 924        s-trans-Propenoic acid
   89527.2702  0.0022 -6.2827 3   94.8481 35  72503 30317 315      17 116        s-trans-Propenoic acid
   89553.9200  0.0019 -5.9005 3   80.2386 21  72503 30310 7 3      10 6 4        s-trans-Propenoic acid
   89561.0664  0.0019 -5.9004 3   80.2384 21  72503 30310 7 4      10 6 5        s-trans-Propenoic acid
   89727.7827  0.0020 -5.4942 3  128.2027 45  72503 30322 617      22 518        s-trans-Propenoic acid
   89743.9581  0.0024 -6.1665 3  106.5657 39  72503 30319 316      19 317        s-trans-Propenoic acid
   89747.0866  0.0136 -6.4527 3  351.4233 85  72503 303421726      411823        s-trans-Propenoic acid
   89747.8610  0.0136 -6.4527 3  351.4233 85  72503 303421725      411824        s-trans-Propenoic acid
   89787.8226  0.0020 -6.0048 3   77.6984 19  72503 303 9 7 2       9 6 3        s-trans-Propenoic acid
   89789.6466  0.0020 -6.0048 3   77.6983 19  72503 303 9 7 3       9 6 4        s-trans-Propenoic acid
   89857.1221  0.0024 -5.6619 3  106.5619 39  72503 30319 316      19 217        s-trans-Propenoic acid
   89882.2146  0.0775 -7.1332 3  731.0153125  72503 303622834      612933        s-trans-Propenoic acid
   89882.2146  0.0775 -7.1332 3  731.0153125  72503 303622835      612932        s-trans-Propenoic acid
   89956.0522  0.0020 -6.1579 3   75.4171 17  72503 303 8 7 1       8 6 2        s-trans-Propenoic acid
   89956.4229  0.0020 -6.1579 3   75.4171 17  72503 303 8 7 2       8 6 3        s-trans-Propenoic acid
   90004.9996  0.0012 -5.4971 3   77.7080 27  72503 30313 112      12 211        s-trans-Propenoic acid
   90031.1121  0.0496 -7.2356 3  305.4245 61  72503 3033024 6      3123 9        s-trans-Propenoic acid
   90031.1121  0.0496 -7.2356 3  305.4245 61  72503 3033024 7      3123 8        s-trans-Propenoic acid
   90073.4955  0.0020 -6.4323 3   73.3931 15  72503 303 7 7 0       7 6 1        s-trans-Propenoic acid
   90073.5491  0.0020 -6.4323 3   73.3931 15  72503 303 7 7 1       7 6 2        s-trans-Propenoic acid
   90228.3650  0.0897 -7.2653 3  446.0420 79  72503 303392910      402813        s-trans-Propenoic acid
   90228.3650  0.0897 -7.2653 3  446.0420 79  72503 303392911      402812        s-trans-Propenoic acid
   90239.2255  0.0045 -5.4006 3  238.6121 71  72503 30335 926      35 827        s-trans-Propenoic acid
   90275.6777  0.0012 -4.9809 3   77.7080 27  72503 30313 212      12 211        s-trans-Propenoic acid
   90308.9332  0.0012 -5.3504 3   78.2312 29  72503 30314 014      13 113        s-trans-Propenoic acid
   90312.2399  0.0012 -4.9369 3   78.2312 29  72503 30314 114      13 113        s-trans-Propenoic acid
   90315.9696  0.0012 -4.9369 3   78.2309 29  72503 30314 014      13 013        s-trans-Propenoic acid
   90319.2763  0.0012 -5.3503 3   78.2309 29  72503 30314 114      13 013        s-trans-Propenoic acid
   90325.6689  0.0018 -6.1690 3  122.5268 43  72503 30321 616      21 417        s-trans-Propenoic acid
   90351.8286  0.0401 -6.7758 3  540.3276107  72503 303532331      522428        s-trans-Propenoic acid
   90351.8291  0.0401 -6.7758 3  540.3276107  72503 303532330      522429        s-trans-Propenoic acid
   90425.9546  0.0024 -6.3178 3  111.9420 39  72503 30319 614      19 415        s-trans-Propenoic acid
   90515.4840  0.0012 -4.9784 3   77.6910 27  72503 30313 112      12 111        s-trans-Propenoic acid
   90650.1856  0.0030 -6.2272 3  209.6287 63  72503 303311121      301218        s-trans-Propenoic acid
   90652.5124  0.0018 -5.4456 3  137.0858 47  72503 30323 717      23 618        s-trans-Propenoic acid
   90755.0822  0.0160 -7.2575 3  307.2098 83  72503 303411130      401327        s-trans-Propenoic acid
   90781.5015  0.0010 -5.8398 3  102.6344 25  72503 3031211 1      1111 0        s-trans-Propenoic acid
   90781.5015  0.0010 -5.8398 3  102.6344 25  72503 3031211 2      1111 1        s-trans-Propenoic acid
   90786.1621  0.0012 -5.4890 3   77.6910 27  72503 30313 212      12 111        s-trans-Propenoic acid
   90873.5081  0.0010 -5.5471 3   97.7795 25  72503 3031210 2      1110 1        s-trans-Propenoic acid
   90873.5081  0.0010 -5.5471 3   97.7795 25  72503 3031210 3      1110 2        s-trans-Propenoic acid
   90922.2792  0.0029 -6.2024 3  189.3556 59  72503 303291019      281118        s-trans-Propenoic acid
   90997.4445  0.0010 -5.3809 3   93.3904 25  72503 30312 9 4      11 9 3        s-trans-Propenoic acid
   90997.4454  0.0010 -5.3809 3   93.3904 25  72503 30312 9 3      11 9 2        s-trans-Propenoic acid
   91125.7337  0.0071 -6.1105 3  248.3552 73  72503 30336 927      36 928        s-trans-Propenoic acid
   91171.2619  0.0010 -5.2673 3   89.4683 25  72503 30312 8 5      11 8 4        s-trans-Propenoic acid
   91171.3128  0.0010 -5.2673 3   89.4683 25  72503 30312 8 4      11 8 3        s-trans-Propenoic acid
   91271.9498  0.0168 -6.4855 3  381.4931 89  72503 303441827      431924        s-trans-Propenoic acid
   91272.2164  0.0168 -6.4855 3  381.4931 89  72503 303441826      431925        s-trans-Propenoic acid
   91314.3707  0.0083 -7.0748 3  238.5762 71  72503 30335 926      341123        s-trans-Propenoic acid
   91331.9830  0.0030 -6.2204 3  209.6277 63  72503 303311120      301219        s-trans-Propenoic acid
   91353.6759  0.0022 -5.6485 3  106.5657 39  72503 30319 416      19 317        s-trans-Propenoic acid
   91414.3162  0.0031 -6.1802 3  170.5574 55  72503 30327 918      261017        s-trans-Propenoic acid
   91421.9137  0.0198 -6.2543 3  370.4348 93  72503 303461234      461235        s-trans-Propenoic acid
   91427.3438  0.0010 -5.1831 3   86.0162 25  72503 30312 7 6      11 7 5        s-trans-Propenoic acid
   91429.3092  0.0010 -5.1831 3   86.0162 25  72503 30312 7 5      11 7 4        s-trans-Propenoic acid
   91466.8399  0.0022 -6.1519 3  106.5619 39  72503 30319 416      19 217        s-trans-Propenoic acid
   91474.0013  0.0022 -5.8839 3   84.8728 29  72503 30314 311      13 410        s-trans-Propenoic acid
   91519.3182  0.0047 -5.3996 3  271.5281 77  72503 303381028      38 929        s-trans-Propenoic acid
   91532.9127  0.0434 -7.2635 3  279.6352 57  72503 3032823 5      2922 8        s-trans-Propenoic acid
   91532.9127  0.0434 -7.2635 3  279.6352 57  72503 3032823 6      2922 7        s-trans-Propenoic acid
   91540.8838  0.0870 -7.1996 3  776.2001129  72503 303642935      633034        s-trans-Propenoic acid
   91540.8838  0.0870 -7.1996 3  776.2001129  72503 303642936      633033        s-trans-Propenoic acid
   91654.4088  0.0036 -5.3988 3  170.5493 55  72503 30327 918      27 819        s-trans-Propenoic acid
   91773.1361  0.0805 -7.2394 3  413.4147 75  72503 3033728 9      382712        s-trans-Propenoic acid
   91773.1361  0.0805 -7.2394 3  413.4147 75  72503 303372810      382711        s-trans-Propenoic acid
   91814.8917  0.0011 -5.1176 3   83.0388 25  72503 30312 6 7      11 6 6        s-trans-Propenoic acid
   91841.4502  0.0034 -6.0605 3  139.8564 49  72503 30324 519      24 520        s-trans-Propenoic acid
   91861.8569  0.0011 -5.1172 3   83.0396 25  72503 30312 6 6      11 6 5        s-trans-Propenoic acid
   91872.8257  0.0037 -6.1031 3  105.3925 37  72503 30318 513      17 612        s-trans-Propenoic acid
   91900.3580  0.0012 -5.0352 3   78.4944 25  72503 30312 4 9      11 4 8        s-trans-Propenoic acid
   91947.9540  0.0036 -6.2410 3  231.3740 67  72503 303331222      321319        s-trans-Propenoic acid
   91973.0596  0.0464 -6.8272 3  578.6986111  72503 303552432      542529        s-trans-Propenoic acid
   91973.0598  0.0464 -6.8272 3  578.6986111  72503 303552431      542530        s-trans-Propenoic acid
   91980.8419  0.0015 -5.8457 3   70.9073 21  72503 30310 3 8       9 2 7        s-trans-Propenoic acid
   91996.1117  0.0112 -7.1546 3  271.5122 77  72503 303381028      371225        s-trans-Propenoic acid
   92033.4923  0.0025 -6.2166 3  149.7336 51  72503 30325 719      24 816        s-trans-Propenoic acid
   92073.6666  0.0013 -5.6611 3   79.6949 27  72503 30313 211      12 310        s-trans-Propenoic acid
   92150.9003  0.0012 -5.0022 3   76.4209 25  72503 30312 210      11 2 9        s-trans-Propenoic acid
   92214.2107  0.0037 -6.2384 3  231.3737 67  72503 303331221      321320        s-trans-Propenoic acid
   92259.3393  0.0011 -5.0663 3   80.5418 25  72503 30312 5 8      11 5 7        s-trans-Propenoic acid
   92304.6600  0.0029 -7.0399 3   77.4628 23  72503 30311 5 7      11 3 8        s-trans-Propenoic acid
   92322.6067  0.0049 -6.4222 3  170.5493 57  72503 30328 722      27 819        s-trans-Propenoic acid
   92430.0376  0.0024 -5.4576 3  128.6246 43  72503 30321 813      21 714        s-trans-Propenoic acid
   92458.4572  0.0042 -5.3754 3  213.7954 65  72503 303321022      32 923        s-trans-Propenoic acid
   92662.4405  0.0043 -6.8721 3  188.7018 61  72503 30330 723      29 920        s-trans-Propenoic acid
   92814.9242  0.0204 -6.5220 3  413.0327 93  72503 303461928      452025        s-trans-Propenoic acid
   92815.0152  0.0204 -6.5219 3  413.0327 93  72503 303461927      452026        s-trans-Propenoic acid
   92823.5239  0.0018 -6.1044 3  128.0994 45  72503 30322 617      22 418        s-trans-Propenoic acid
   92856.3894  0.0047 -5.3817 3  264.1978 75  72503 303371126      371027        s-trans-Propenoic acid
   92904.4646  0.0012 -5.0602 3   80.5582 25  72503 30312 5 7      11 5 6        s-trans-Propenoic acid
   92907.1716  0.0032 -5.4747 3  139.8208 49  72503 30324 519      24 420        s-trans-Propenoic acid
   92918.0213  0.0022 -5.5367 3  119.5958 43  72503 30321 517      21 418        s-trans-Propenoic acid
   93021.0864  0.0378 -7.3139 3  255.3165 53  72503 3032622 4      2721 7        s-trans-Propenoic acid
   93021.0864  0.0378 -7.3139 3  255.3165 53  72503 3032622 5      2721 6        s-trans-Propenoic acid
   93090.2534  0.0025 -6.1579 3  159.7443 53  72503 30326 819      25 916        s-trans-Propenoic acid
   93122.0073  0.3087 -7.0619 3  867.1936149  72503 303742054      742055        s-trans-Propenoic acid
   93203.3086  0.0972 -7.2695 3  822.8466133  72503 303663036      653135        s-trans-Propenoic acid
   93203.3086  0.0972 -7.2695 3  822.8466133  72503 303663037      653134        s-trans-Propenoic acid
   93242.0041  0.0048 -6.2593 3  254.5932 71  72503 303351323      341420        s-trans-Propenoic acid
   93253.0242  0.0029 -6.4040 3  106.9352 37  72503 30318 613      18 414        s-trans-Propenoic acid
   93277.5026  0.0024 -6.4931 3   87.8918 33  72503 30316 115      16 116        s-trans-Propenoic acid
   93278.2159  0.0024 -6.0645 3   87.8918 33  72503 30316 115      16 016        s-trans-Propenoic acid
   93307.4892  0.0720 -7.2237 3  382.2552 71  72503 3033527 8      362611        s-trans-Propenoic acid
   93307.4892  0.0720 -7.2237 3  382.2552 71  72503 3033527 9      362610        s-trans-Propenoic acid
   93313.5050  0.0024 -6.0642 3   87.8918 33  72503 30316 215      16 116        s-trans-Propenoic acid
   93314.2184  0.0024 -6.4928 3   87.8918 33  72503 30316 215      16 016        s-trans-Propenoic acid
   93343.0095  0.0048 -6.2583 3  254.5931 71  72503 303351322      341421        s-trans-Propenoic acid
   93431.2230  0.0021 -6.0811 3  119.5787 43  72503 30321 517      21 318        s-trans-Propenoic acid
   93457.2336  0.0036 -6.1470 3  153.2323 51  72503 30325 817      24 916        s-trans-Propenoic acid
   93524.7418  0.0015 -6.1127 3   64.1416 15  72503 303 7 3 4       6 2 5        s-trans-Propenoic acid
   93584.3047  0.0048 -5.4048 3  307.1154 83  72503 303411130      411031        s-trans-Propenoic acid
   93595.1733  0.0016 -5.8591 3   63.8871 13  72503 303 6 4 3       5 3 2        s-trans-Propenoic acid
   93600.4878  0.0532 -6.8822 3  618.5352115  72503 303572533      562630        s-trans-Propenoic acid
   93600.4879  0.0532 -6.8822 3  618.5352115  72503 303572532      562631        s-trans-Propenoic acid
   93811.6715  0.0019 -5.4171 3  143.2037 49  72503 30324 718      24 619        s-trans-Propenoic acid
   93875.6092  0.0058 -6.0597 3  217.1233 67  72503 30333 825      33 826        s-trans-Propenoic acid
   93925.3168  0.0065 -6.9645 3  213.7954 67  72503 30333 726      32 923        s-trans-Propenoic acid
   93974.1144  0.0031 -5.9895 3   94.4213 33  72503 30316 412      15 511        s-trans-Propenoic acid
   94048.0384  0.0016 -5.8566 3   63.8736 13  72503 303 6 4 2       5 3 3        s-trans-Propenoic acid
   94199.6881  0.0440 -6.3829 3  473.0046107  72503 303531439      531440        s-trans-Propenoic acid
   94205.4124  0.0151 -7.2618 3  321.7167 87  72503 30343 934      421131        s-trans-Propenoic acid
   94230.3260  0.0041 -6.0312 3  162.8689 55  72503 30327 621      27 622        s-trans-Propenoic acid
   94373.2080  0.0246 -6.5621 3  446.0413 97  72503 303482029      472126        s-trans-Propenoic acid
   94373.2388  0.0246 -6.5621 3  446.0413 97  72503 303482028      472127        s-trans-Propenoic acid
   94386.8823  0.0041 -5.4163 3  333.4378 87  72503 303431231      431132        s-trans-Propenoic acid
   94570.7961  0.0063 -6.2814 3  279.2854 75  72503 303371424      361521        s-trans-Propenoic acid
   94608.2296  0.0063 -6.2810 3  279.2853 75  72503 303371423      361522        s-trans-Propenoic acid
   94789.8443  0.0021 -5.4543 3  133.9240 47  72503 30323 618      23 519        s-trans-Propenoic acid
   94830.7949  0.0641 -7.2199 3  352.5642 67  72503 3033326 7      342510        s-trans-Propenoic acid
   94830.7949  0.0641 -7.2199 3  352.5642 67  72503 3033326 8      3425 9        s-trans-Propenoic acid
   94876.9193  0.0030 -6.2367 3  156.3497 53  72503 30326 720      25 817        s-trans-Propenoic acid
   94880.4548  0.1743 -6.7897 3  721.4093135  72503 303671849      671850        s-trans-Propenoic acid
   94923.4350  0.0048 -6.0323 3  188.6264 61  72503 30330 723      30 724        s-trans-Propenoic acid
   94949.7353  0.0016 -5.7525 3   73.5536 23  72503 30311 3 9      10 2 8        s-trans-Propenoic acid
   95090.7741  0.0039 -6.3046 3  163.2866 55  72503 30327 721      26 818        s-trans-Propenoic acid
   95217.5235  0.0051 -5.4017 3  321.7167 85  72503 303421230      421131        s-trans-Propenoic acid
   95233.6181  0.0607 -6.9409 3  659.8366119  72503 303592633      582732        s-trans-Propenoic acid
   95233.6181  0.0607 -6.9409 3  659.8366119  72503 303592634      582731        s-trans-Propenoic acid
   95245.3151  0.0017 -7.1496 3   62.2570 13  72503 303 6 3 3       5 1 4        s-trans-Propenoic acid
   95297.1782  0.0913 -6.5625 3  590.0043121  72503 303601644      601645        s-trans-Propenoic acid
   95364.4107  0.0021 -5.4538 3  123.0938 41  72503 30320 812      20 713        s-trans-Propenoic acid
   95582.0630  0.0024 -6.2287 3   98.9005 37  72503 30318 216      18 217        s-trans-Propenoic acid
   95590.8304  0.0024 -5.7678 3   98.9002 37  72503 30318 216      18 117        s-trans-Propenoic acid
   95797.0455  0.0023 -5.7660 3   98.9005 37  72503 30318 316      18 217        s-trans-Propenoic acid
   95805.8129  0.0023 -6.2269 3   98.9002 37  72503 30318 316      18 117        s-trans-Propenoic acid
   95837.3896  0.0013 -4.9965 3   78.6676 25  72503 30312 4 8      11 4 7        s-trans-Propenoic acid
   95854.8468  0.0012 -4.9443 3   79.6949 27  72503 30313 311      12 310        s-trans-Propenoic acid
   95899.4152  0.0027 -6.0508 3  124.9005 45  72503 30322 418      22 419        s-trans-Propenoic acid
   95942.7027  0.0083 -6.3071 3  305.4498 79  72503 303391525      381622        s-trans-Propenoic acid
   95944.5940  0.0292 -6.6058 3  480.5183101  72503 303502130      492227        s-trans-Propenoic acid
   95944.6043  0.0292 -6.6058 3  480.5183101  72503 303502129      492228        s-trans-Propenoic acid
   95956.3120  0.0083 -6.3070 3  305.4498 79  72503 303391524      381623        s-trans-Propenoic acid
   96180.4446  0.0027 -5.5151 3  124.8912 45  72503 30322 418      22 319        s-trans-Propenoic acid
   96240.3056  0.0405 -7.1141 3  443.7678105  72503 303521241      511338        s-trans-Propenoic acid
   96240.3743  0.0036 -5.4075 3  162.8019 55  72503 30327 621      27 522        s-trans-Propenoic acid
   96342.3479  0.0567 -7.2301 3  324.3423 63  72503 3033125 6      3224 9        s-trans-Propenoic acid
   96342.3479  0.0567 -7.2301 3  324.3423 63  72503 3033125 7      3224 8        s-trans-Propenoic acid
   96399.2100  0.0013 -5.3974 3   80.7193 29  72503 30314 113      13 212        s-trans-Propenoic acid
   96463.2640  0.0159 -6.8645 3  321.7167 87  72503 303431034      421131        s-trans-Propenoic acid
   96538.4038  0.0013 -5.2660 3   81.2437 31  72503 30315 015      14 114        s-trans-Propenoic acid
   96539.7001  0.0013 -4.8957 3   80.7193 29  72503 30314 213      13 212        s-trans-Propenoic acid
   96539.9451  0.0013 -4.8551 3   81.2437 31  72503 30315 115      14 114        s-trans-Propenoic acid
   96541.7105  0.0013 -4.8551 3   81.2436 31  72503 30315 015      14 014        s-trans-Propenoic acid
   96543.2518  0.0013 -5.2659 3   81.2436 31  72503 30315 115      14 014        s-trans-Propenoic acid
   96545.7058  0.1001 -7.2662 3  469.5187 81  72503 303403010      412913        s-trans-Propenoic acid
   96545.7058  0.1001 -7.2662 3  469.5187 81  72503 303403011      412912        s-trans-Propenoic acid
   96610.0559  0.0027 -6.1273 3  177.5555 57  72503 30328 920      271017        s-trans-Propenoic acid
   96629.5513  0.0020 -6.0446 3  133.8626 47  72503 30323 618      23 419        s-trans-Propenoic acid
   96669.8880  0.0013 -4.8945 3   80.7102 29  72503 30314 113      13 112        s-trans-Propenoic acid
   96705.6048  0.0024 -6.1034 3  111.2431 41  72503 30320 317      20 318        s-trans-Propenoic acid
   96764.3019  0.0024 -5.6075 3  111.2411 41  72503 30320 317      20 218        s-trans-Propenoic acid
   96810.3781  0.0013 -5.3934 3   80.7102 29  72503 30314 213      13 112        s-trans-Propenoic acid
   96860.5241  0.0047 -5.4134 3  345.3697 89  72503 303441232      441133        s-trans-Propenoic acid
   96872.0475  0.0688 -7.0031 3  702.6020123  72503 303612734      602833        s-trans-Propenoic acid
   96872.0475  0.0688 -7.0031 3  702.6020123  72503 303612735      602832        s-trans-Propenoic acid
   96897.7383  0.0018 -5.3906 3  140.1097 47  72503 30323 816      23 717        s-trans-Propenoic acid
   97041.0674  0.0018 -5.4034 3  134.1406 45  72503 30322 815      22 716        s-trans-Propenoic acid
   97138.2750  0.0032 -5.3678 3  163.2866 53  72503 30326 917      26 818        s-trans-Propenoic acid
   97147.4211  0.0096 -7.0764 3  264.1978 77  72503 30338 830      371027        s-trans-Propenoic acid
   97216.3043  0.0030 -7.1846 3   74.4849 21  72503 30310 5 6      10 3 7        s-trans-Propenoic acid
   97246.2170  0.0013 -4.9586 3   77.4628 25  72503 30312 3 9      11 3 8        s-trans-Propenoic acid
   97256.1726  0.0019 -5.3770 3  146.3329 49  72503 30324 817      24 718        s-trans-Propenoic acid
   97355.0789  0.0106 -6.3364 3  333.0858 83  72503 303411626      401723        s-trans-Propenoic acid
   97359.9475  0.0106 -6.3363 3  333.0858 83  72503 303411625      401724        s-trans-Propenoic acid
   97516.3213  0.0041 -6.0932 3  137.3775 47  72503 30323 716      22 815        s-trans-Propenoic acid
   97527.3381  0.0344 -6.6532 3  516.4630105  72503 303522231      512328        s-trans-Propenoic acid
   97527.3415  0.0344 -6.6532 3  516.4630105  72503 303522230      512329        s-trans-Propenoic acid
   97540.8252  0.0019 -5.4591 3  117.8650 39  72503 30319 811      19 712        s-trans-Propenoic acid
   97542.0442  0.0018 -5.4163 3  128.4313 43  72503 30321 814      21 715        s-trans-Propenoic acid
   97624.9681  0.0023 -5.6003 3  111.2431 41  72503 30320 417      20 318        s-trans-Propenoic acid
   97626.4838  0.0137 -6.1511 3  330.1813 87  72503 303431132      431133        s-trans-Propenoic acid
   97683.6652  0.0023 -6.0956 3  111.2411 41  72503 30320 417      20 218        s-trans-Propenoic acid
   97697.8244  0.0033 -6.4971 3  102.1337 35  72503 30317 612      17 413        s-trans-Propenoic acid
   97718.0964  0.0043 -6.8189 3  196.7376 63  72503 30331 724      30 921        s-trans-Propenoic acid
   97741.6890  0.0021 -5.3866 3  149.5432 51  72503 30325 719      25 620        s-trans-Propenoic acid
   97841.3578  0.0500 -7.2579 3  297.5900 59  72503 3032924 5      3023 8        s-trans-Propenoic acid
   97841.3578  0.0500 -7.2579 3  297.5900 59  72503 3032924 6      3023 7        s-trans-Propenoic acid
   98073.4994  0.0051 -6.8536 3  205.1043 65  72503 30332 725      31 922        s-trans-Propenoic acid
   98074.5145  0.0012 -4.9204 3   79.4947 27  72503 30313 211      12 210        s-trans-Propenoic acid
   98087.9148  0.0902 -7.2399 3  435.9304 77  72503 3033829 9      392812        s-trans-Propenoic acid
   98087.9148  0.0902 -7.2399 3  435.9304 77  72503 303382910      392811        s-trans-Propenoic acid
   98151.7482  0.0015 -5.6547 3   76.4209 25  72503 30312 310      11 2 9        s-trans-Propenoic acid
   98249.1737  0.0019 -5.3618 3  152.8035 51  72503 30325 818      25 719        s-trans-Propenoic acid
   98262.5241  0.0018 -5.4304 3  122.9864 41  72503 30320 813      20 714        s-trans-Propenoic acid
   98335.5825  0.0011 -5.7866 3  110.9798 27  72503 3031312 1      1212 0        s-trans-Propenoic acid
   98335.5825  0.0011 -5.7866 3  110.9798 27  72503 3031312 2      1212 1        s-trans-Propenoic acid
   98424.8576  0.0011 -5.4914 3  105.6625 27  72503 3031311 2      1211 1        s-trans-Propenoic acid
   98424.8576  0.0011 -5.4914 3  105.6625 27  72503 3031311 3      1211 2        s-trans-Propenoic acid
   98450.3537  0.0041 -5.3671 3  188.5088 61  72503 30330 723      30 624        s-trans-Propenoic acid
   98515.4474  0.0777 -7.0690 3  746.8305127  72503 303632835      622934        s-trans-Propenoic acid
   98515.4474  0.0777 -7.0690 3  746.8305127  72503 303632836      622933        s-trans-Propenoic acid
   98541.5165  0.0010 -5.3227 3  100.8108 27  72503 3031310 4      1210 3        s-trans-Propenoic acid
   98541.5166  0.0010 -5.3227 3  100.8108 27  72503 3031310 3      1210 2        s-trans-Propenoic acid
   98699.0788  0.0010 -5.2065 3   96.4257 27  72503 30313 9 5      12 9 4        s-trans-Propenoic acid
   98699.0831  0.0010 -5.2065 3   96.4257 27  72503 30313 9 4      12 9 3        s-trans-Propenoic acid
   98763.1110  0.0028 -6.1227 3  196.8515 61  72503 303301021      291118        s-trans-Propenoic acid
   98802.2984  0.0134 -6.3692 3  362.1928 87  72503 303431727      421824        s-trans-Propenoic acid
   98804.0164  0.0134 -6.3692 3  362.1928 87  72503 303431726      421825        s-trans-Propenoic acid
   98822.8168  0.0051 -5.3420 3  254.0942 73  72503 303361125      361026        s-trans-Propenoic acid
   98902.4200  0.0042 -5.3352 3  205.1043 63  72503 303311021      31 922        s-trans-Propenoic acid
   98920.7451  0.0011 -5.1197 3   92.5095 27  72503 30313 8 6      12 8 5        s-trans-Propenoic acid
   98920.9462  0.0011 -5.1197 3   92.5095 27  72503 30313 8 5      12 8 4        s-trans-Propenoic acid
   98961.7184  0.0062 -5.3716 3  310.2371 83  72503 303411229      411130        s-trans-Propenoic acid
   98995.1564  0.0023 -5.4919 3  124.9005 45  72503 30322 518      22 419        s-trans-Propenoic acid
   99084.2617  0.0018 -5.4467 3  117.8087 39  72503 30319 812      19 713        s-trans-Propenoic acid
   99120.0528  0.0401 -6.7042 3  553.8747109  72503 303542332      532429        s-trans-Propenoic acid
   99120.0540  0.0401 -6.7042 3  553.8747109  72503 303542331      532430        s-trans-Propenoic acid
   99143.9535  0.0018 -5.4722 3  112.9278 37  72503 30318 810      18 711        s-trans-Propenoic acid
   99247.5628  0.0011 -5.0517 3   89.0658 27  72503 30313 7 7      12 7 6        s-trans-Propenoic acid
   99253.6544  0.0011 -5.0517 3   89.0659 27  72503 30313 7 6      12 7 5        s-trans-Propenoic acid
   99276.1858  0.0022 -6.0246 3  124.8912 45  72503 30322 518      22 319        s-trans-Propenoic acid
   99318.1225  0.0012 -4.9325 3   81.5599 27  72503 30313 410      12 4 9        s-trans-Propenoic acid
   99458.1730  0.0023 -7.0966 3   69.8479 19  72503 303 9 4 5       9 1 8        s-trans-Propenoic acid
   99547.7608  0.0025 -6.4420 3   91.5275 35  72503 30317 116      17 117        s-trans-Propenoic acid
   99548.0889  0.0025 -6.0155 3   91.5275 35  72503 30317 116      17 017        s-trans-Propenoic acid
   99565.6248  0.0025 -6.0153 3   91.5275 35  72503 30317 216      17 117        s-trans-Propenoic acid
   99565.9529  0.0025 -6.4418 3   91.5275 35  72503 30317 216      17 017        s-trans-Propenoic acid
   99619.6951  0.0810 -7.2238 3  403.8095 73  72503 3033628 8      372711        s-trans-Propenoic acid
   99619.6951  0.0810 -7.2238 3  403.8095 73  72503 3033628 9      372710        s-trans-Propenoic acid
   99716.4320  0.0046 -5.3476 3  216.9285 67  72503 30333 825      33 726        s-trans-Propenoic acid
   99725.3911  0.0012 -4.9968 3   86.1014 27  72503 30313 6 8      12 6 7        s-trans-Propenoic acid
   99766.1395  0.0073 -6.5012 3  213.7954 67  72503 30333 826      32 923        s-trans-Propenoic acid
   99841.5379  0.0012 -4.9958 3   86.1038 27  72503 30313 6 7      12 6 6        s-trans-Propenoic acid
   99916.9963  0.0018 -5.4660 3  112.9000 37  72503 30318 811      18 712        s-trans-Propenoic acid
   99981.1404  0.0020 -5.3444 3  159.5144 53  72503 30326 819      26 720        s-trans-Propenoic acid
  100136.6715  0.0013 -5.5186 3   82.8923 29  72503 30314 212      13 311        s-trans-Propenoic acid
  100143.2438  0.0012 -4.9539 3   83.6192 27  72503 30313 5 9      12 5 8        s-trans-Propenoic acid
  100163.5489  0.0872 -7.1383 3  792.5213131  72503 303652936      643035        s-trans-Propenoic acid
  100163.5489  0.0872 -7.1383 3  792.5213131  72503 303652937      643034        s-trans-Propenoic acid
  100220.3835  0.0018 -5.6878 3   64.2242 11  72503 303 5 5 1       4 4 0        s-trans-Propenoic acid
  100221.5199  0.0018 -5.6878 3   64.2242 11  72503 303 5 5 0       4 4 1        s-trans-Propenoic acid
  100271.3090  0.0030 -6.1316 3  217.6264 65  72503 303321122      311219        s-trans-Propenoic acid
  100278.7026  0.0167 -6.4055 3  392.7701 91  72503 303451828      441925        s-trans-Propenoic acid
  100279.3016  0.0167 -6.4055 3  392.7701 91  72503 303451827      441926        s-trans-Propenoic acid
  100336.4540  0.0018 -5.4922 3  108.2735 35  72503 30317 8 9      17 710        s-trans-Propenoic acid
  100338.2175  0.0052 -5.3444 3  248.0479 73  72503 30336 927      36 828        s-trans-Propenoic acid
  100349.4066  0.0023 -5.4148 3  139.8564 49  72503 30324 619      24 520        s-trans-Propenoic acid
  100467.1106  0.0026 -6.0979 3  166.5268 55  72503 30327 820      26 917        s-trans-Propenoic acid
  100554.6884  0.0017 -5.7999 3   65.4341 15  72503 303 7 4 4       6 3 3        s-trans-Propenoic acid
  100700.1252  0.0018 -5.4893 3  108.2606 35  72503 30317 810      17 711        s-trans-Propenoic acid
  100719.2383  0.0060 -5.3533 3  281.8544 79  72503 303391029      39 930        s-trans-Propenoic acid
  100721.6256  0.0464 -6.7587 3  592.7526113  72503 303562433      552530        s-trans-Propenoic acid
  100721.6259  0.0464 -6.7587 3  592.7526113  72503 303562432      552531        s-trans-Propenoic acid
  100830.8053  0.0104 -6.6579 3  264.1978 77  72503 30338 930      371027        s-trans-Propenoic acid
  100853.7379  0.0031 -5.9805 3  145.9978 51  72503 30325 520      25 521        s-trans-Propenoic acid
  101028.1777  0.0020 -6.7448 3   62.9727 15  72503 303 7 2 5       6 1 6        s-trans-Propenoic acid
  101140.4553  0.0725 -7.2196 3  373.1566 69  72503 3033427 7      352610        s-trans-Propenoic acid
  101140.4553  0.0725 -7.2196 3  373.1566 69  72503 3033427 8      3526 9        s-trans-Propenoic acid
  101183.2916  0.0056 -6.8395 3  216.8795 67  72503 30333 825      321022        s-trans-Propenoic acid
  101239.1687  0.0018 -5.5186 3  103.8955 33  72503 30316 8 8      16 7 9        s-trans-Propenoic acid
  101328.8429  0.0068 -5.3708 3  318.3368 85  72503 303421131      421032        s-trans-Propenoic acid
  101396.0347  0.0013 -4.9430 3   83.6572 27  72503 30313 5 8      12 5 7        s-trans-Propenoic acid
  101399.2757  0.0018 -5.5173 3  103.8899 33  72503 30316 8 9      16 710        s-trans-Propenoic acid
  101415.1280  0.0022 -5.9889 3  139.8208 49  72503 30324 619      24 420        s-trans-Propenoic acid
  101458.1157  0.0030 -5.4136 3  145.9777 51  72503 30325 520      25 421        s-trans-Propenoic acid
  101534.4872  0.0037 -6.1482 3  239.8776 69  72503 303341223      331320        s-trans-Propenoic acid
  101571.0084  0.0032 -6.1198 3  217.6244 65  72503 303321121      311220        s-trans-Propenoic acid
  101697.8885  0.0058 -5.4237 3  386.2902 95  72503 303471334      471235        s-trans-Propenoic acid
  101738.2624  0.0073 -5.4099 3  373.4843 93  72503 303461333      461234        s-trans-Propenoic acid
  101767.8063  0.0028 -5.3445 3  156.3497 51  72503 30325 916      25 817        s-trans-Propenoic acid
  101779.4610  0.0203 -6.4454 3  424.8171 95  72503 303471929      462026        s-trans-Propenoic acid
  101779.6677  0.0203 -6.4454 3  424.8171 95  72503 303471928      462027        s-trans-Propenoic acid
  101816.1324  0.0975 -7.2113 3  839.6733135  72503 303673037      663136        s-trans-Propenoic acid
  101816.1324  0.0975 -7.2113 3  839.6733135  72503 303673038      663135        s-trans-Propenoic acid
  101854.5958  0.0031 -6.0939 3  196.8460 61  72503 303301020      291119        s-trans-Propenoic acid
  101855.6947  0.0015 -5.5560 3   79.4947 27  72503 30313 311      12 210        s-trans-Propenoic acid
  101894.9715  0.0016 -5.7939 3   65.3950 15  72503 303 7 4 3       6 3 4        s-trans-Propenoic acid
  101933.7435  0.0020 -7.1627 3   62.9425 15  72503 303 7 2 5       6 0 6        s-trans-Propenoic acid
  101934.5538  0.0018 -5.5516 3   99.7890 31  72503 30315 8 7      15 7 8        s-trans-Propenoic acid
  101986.1088  0.0024 -6.1769 3  103.1600 39  72503 30319 217      19 218        s-trans-Propenoic acid
  101990.3707  0.0024 -5.7203 3  103.1599 39  72503 30319 217      19 118        s-trans-Propenoic acid
  102000.1159  0.0018 -5.5511 3   99.7867 31  72503 30315 8 8      15 7 9        s-trans-Propenoic acid
  102057.2659  0.0037 -6.1436 3  239.8768 69  72503 303341222      331321        s-trans-Propenoic acid
  102099.2728  0.0024 -5.7194 3  103.1600 39  72503 30319 317      19 218        s-trans-Propenoic acid
  102103.5347  0.0024 -6.1760 3  103.1599 39  72503 30319 317      19 118        s-trans-Propenoic acid
  102131.2585  0.0310 -6.2521 3  426.4736101  72503 303501337      501338        s-trans-Propenoic acid
  102319.6279  0.0024 -6.0884 3  142.9199 49  72503 30324 718      24 519        s-trans-Propenoic acid
  102331.1571  0.0533 -6.8168 3  633.0959117  72503 303582534      572631        s-trans-Propenoic acid
  102331.1572  0.0533 -6.8168 3  633.0959117  72503 303582533      572632        s-trans-Propenoic acid
  102375.3333  0.0022 -5.3549 3  156.0996 53  72503 30326 720      26 621        s-trans-Propenoic acid
  102379.3977  0.0095 -6.0667 3  292.6528 81  72503 303401030      401031        s-trans-Propenoic acid
  102406.8554  0.0013 -4.8593 3   82.8923 29  72503 30314 312      13 311        s-trans-Propenoic acid
  102476.9270  0.0019 -5.5920 3   95.9503 29  72503 30314 8 6      14 7 7        s-trans-Propenoic acid
  102501.6775  0.0019 -5.5918 3   95.9494 29  72503 30314 8 7      14 7 8        s-trans-Propenoic acid
  102514.6115  0.0021 -5.3246 3  166.4585 55  72503 30327 820      27 721        s-trans-Propenoic acid
  102649.5360  0.0645 -7.2295 3  343.9723 65  72503 3033226 6      3325 9        s-trans-Propenoic acid
  102649.5360  0.0645 -7.2295 3  343.9723 65  72503 3033226 7      3325 8        s-trans-Propenoic acid
  102653.0986  0.0073 -5.3939 3  357.4861 91  72503 303451233      451134        s-trans-Propenoic acid
  102712.6471  0.0013 -5.3075 3   83.9395 31  72503 30315 114      14 213        s-trans-Propenoic acid
  102744.4823  0.0048 -6.1699 3  263.6031 73  72503 303361324      351421        s-trans-Propenoic acid
  102766.4849  0.0014 -5.1879 3   84.4639 33  72503 30316 016      15 115        s-trans-Propenoic acid
  102767.1982  0.0014 -4.7794 3   84.4639 33  72503 30316 116      15 115        s-trans-Propenoic acid
  102768.0261  0.0014 -4.7794 3   84.4638 33  72503 30316 016      15 015        s-trans-Propenoic acid
  102768.7394  0.0014 -5.1879 3   84.4638 33  72503 30316 116      15 015        s-trans-Propenoic acid
  102784.2944  0.0013 -4.8172 3   83.9395 31  72503 30315 214      14 213        s-trans-Propenoic acid
  102853.1372  0.0013 -4.8165 3   83.9348 31  72503 30315 114      14 113        s-trans-Propenoic acid
  102867.1180  0.0043 -6.0098 3  122.9864 43  72503 30321 615      20 714        s-trans-Propenoic acid
  102902.1804  0.0019 -5.6415 3   92.3767 27  72503 30313 8 5      13 7 6        s-trans-Propenoic acid
  102910.6883  0.0019 -5.6414 3   92.3764 27  72503 30313 8 6      13 7 7        s-trans-Propenoic acid
  102924.7845  0.0013 -5.3056 3   83.9348 31  72503 30315 214      14 113        s-trans-Propenoic acid
  102947.8068  0.0048 -6.1682 3  263.6028 73  72503 303361323      351422        s-trans-Propenoic acid
  102960.4634  0.0020 -5.6800 3   88.4272 31  72503 30315 312      14 411        s-trans-Propenoic acid
  102984.8136  0.0017 -6.8926 3   63.8260 15  72503 303 7 3 4       6 1 5        s-trans-Propenoic acid
  103131.0225  0.4289 -7.1502 3  955.8102157  72503 303782157      782158        s-trans-Propenoic acid
  103175.7736  0.0022 -6.0298 3  149.3619 51  72503 30325 719      25 520        s-trans-Propenoic acid
  103234.8886  0.0020 -5.7028 3   89.0659 25  72503 30312 8 4      12 7 5        s-trans-Propenoic acid
  103237.5060  0.0020 -5.7028 3   89.0658 25  72503 30312 8 5      12 7 6        s-trans-Propenoic acid
  103300.6753  0.0245 -6.4888 3  458.3330 99  72503 303492030      482127        s-trans-Propenoic acid
  103300.7461  0.0245 -6.4888 3  458.3330 99  72503 303492029      482128        s-trans-Propenoic acid
  103323.3629  0.0036 -6.5943 3   97.5560 33  72503 30316 611      16 412        s-trans-Propenoic acid
  103417.9685  0.0026 -5.9872 3  130.4130 47  72503 30323 419      23 420        s-trans-Propenoic acid
  103431.2192  0.0029 -6.1524 3  136.6596 47  72503 30323 717      23 518        s-trans-Propenoic acid
  103449.0084  0.0025 -6.0482 3  116.1280 43  72503 30321 318      21 319        s-trans-Propenoic acid
  103479.0661  0.0025 -5.5595 3  116.1270 43  72503 30321 318      21 219        s-trans-Propenoic acid
  103492.8850  0.0021 -5.7810 3   86.0162 23  72503 30311 8 3      11 7 4        s-trans-Propenoic acid
  103493.5880  0.0021 -5.7810 3   86.0162 23  72503 30311 8 4      11 7 5        s-trans-Propenoic acid
  103526.6690  0.0035 -6.0605 3  177.5412 57  72503 30328 919      271018        s-trans-Propenoic acid
  103569.3516  0.0026 -5.4630 3  130.4079 47  72503 30323 419      23 320        s-trans-Propenoic acid
  103689.9696  0.0021 -5.8859 3   83.2258 21  72503 30310 8 2      10 7 3        s-trans-Propenoic acid
  103690.1284  0.0021 -5.8859 3   83.2258 21  72503 30310 8 3      10 7 4        s-trans-Propenoic acid
  103837.4159  0.0022 -6.0400 3   80.6934 19  72503 303 9 8 1       9 7 2        s-trans-Propenoic acid
  103837.4443  0.0022 -6.0400 3   80.6934 19  72503 303 9 8 2       9 7 3        s-trans-Propenoic acid
  103917.8516  0.0013 -4.8446 3   82.7662 29  72503 30314 212      13 211        s-trans-Propenoic acid
  103944.7712  0.0023 -6.3161 3   78.4177 17  72503 303 8 8 0       8 7 1        s-trans-Propenoic acid
  103944.7748  0.0023 -6.3161 3   78.4177 17  72503 303 8 8 1       8 7 2        s-trans-Propenoic acid
  103947.9157  0.0609 -6.8784 3  674.9038121  72503 303602635      592732        s-trans-Propenoic acid
  103947.9158  0.0609 -6.8784 3  674.9038121  72503 303602634      592733        s-trans-Propenoic acid
  103962.2100  0.0024 -5.5557 3  116.1280 43  72503 30321 418      21 319        s-trans-Propenoic acid
  103979.1964  0.0063 -6.1957 3  288.8020 77  72503 303381425      371522        s-trans-Propenoic acid
  103992.2678  0.0024 -6.0440 3  116.1270 43  72503 30321 418      21 219        s-trans-Propenoic acid
  103993.7823  0.0617 -7.1445 3  505.8667113  72503 303561344      551441        s-trans-Propenoic acid
  104056.1934  0.0063 -6.1950 3  288.8019 77  72503 303381424      371523        s-trans-Propenoic acid
  104440.8951  0.0037 -5.9451 3  169.8484 57  72503 30328 622      28 623        s-trans-Propenoic acid
  104721.6869  0.0013 -4.8650 3   80.7066 27  72503 30313 310      12 3 9        s-trans-Propenoic acid
  104786.1675  0.0672 -6.4064 3  537.2079115  72503 303571542      571543        s-trans-Propenoic acid
  104837.9801  0.0014 -4.8816 3   81.8644 27  72503 30313 4 9      12 4 8        s-trans-Propenoic acid
  104839.2543  0.0292 -6.5357 3  493.3172103  72503 303512131      502228        s-trans-Propenoic acid
  104839.2783  0.0292 -6.5357 3  493.3172103  72503 303512130      502229        s-trans-Propenoic acid
  104895.2013  0.0068 -5.3304 3  299.0298 81  72503 303401228      401129        s-trans-Propenoic acid
  104971.5740  0.0092 -5.3802 3  360.9102 91  72503 303451332      451233        s-trans-Propenoic acid
  105105.2193  0.0038 -5.2976 3  196.7376 61  72503 303301020      30 921        s-trans-Propenoic acid
  105129.8679  0.2484 -6.8579 3  801.9027143  72503 303711952      711953        s-trans-Propenoic acid
  105146.8568  0.0075 -5.4201 3  399.2969 97  72503 303481335      481236        s-trans-Propenoic acid
  105183.9864  0.0024 -6.9831 3   72.2618 21  72503 30310 4 6      10 1 9        s-trans-Propenoic acid
  105257.6755  0.0024 -5.4498 3  130.4130 47  72503 30323 519      23 420        s-trans-Propenoic acid
  105262.6227  0.0082 -6.2249 3  315.4734 81  72503 303401526      391623        s-trans-Propenoic acid
  105291.1517  0.0082 -6.2247 3  315.4733 81  72503 303401525      391624        s-trans-Propenoic acid
  105386.1372  0.0027 -6.0497 3  184.8283 59  72503 30329 921      281018        s-trans-Propenoic acid
  105409.0585  0.0023 -5.9724 3  130.4079 47  72503 30323 519      23 320        s-trans-Propenoic acid
  105432.1640  0.0024 -5.3302 3  149.7336 49  72503 30324 915      24 816        s-trans-Propenoic acid
  105493.6628  0.0070 -6.0022 3  257.8517 75  72503 30337 928      37 929        s-trans-Propenoic acid
  105571.3023  0.0691 -6.9436 3  718.1754125  72503 303622735      612834        s-trans-Propenoic acid
  105571.3023  0.0691 -6.9436 3  718.1754125  72503 303622736      612833        s-trans-Propenoic acid
  105618.0392  0.0034 -5.3460 3  169.8092 57  72503 30328 622      28 523        s-trans-Propenoic acid
  105680.6061  0.0240 -6.8614 3  373.4843 95  72503 303471137      461234        s-trans-Propenoic acid
  105688.6317  0.0050 -5.2979 3  244.2958 71  72503 303351124      351025        s-trans-Propenoic acid
  105727.7256  0.0022 -5.9756 3  155.9877 53  72503 30326 720      26 521        s-trans-Propenoic acid
  105735.4237  0.1344 -6.6093 3  662.3595129  72503 303641747      641748        s-trans-Propenoic acid
  105760.6303  0.0017 -6.0959 3   65.8497 17  72503 303 8 3 5       7 2 6        s-trans-Propenoic acid
  105807.6421  0.0026 -6.3952 3   95.3709 37  72503 30318 117      18 118        s-trans-Propenoic acid
  105807.7922  0.0026 -5.9705 3   95.3709 37  72503 30318 117      18 018        s-trans-Propenoic acid
  105816.4095  0.0026 -5.9704 3   95.3709 37  72503 30318 217      18 118        s-trans-Propenoic acid
  105816.5595  0.0026 -6.3951 3   95.3709 37  72503 30318 217      18 018        s-trans-Propenoic acid
  105862.9231  0.0023 -5.3025 3  173.6289 57  72503 30328 821      28 722        s-trans-Propenoic acid
  105888.8246  0.0013 -5.7402 3  120.0395 29  72503 3031413 1      1313 0        s-trans-Propenoic acid
  105888.8246  0.0013 -5.7402 3  120.0395 29  72503 3031413 2      1313 1        s-trans-Propenoic acid
  105976.0205  0.0012 -5.4428 3  114.2599 29  72503 3031412 2      1312 1        s-trans-Propenoic acid
  105976.0205  0.0012 -5.4428 3  114.2599 29  72503 3031412 3      1312 2        s-trans-Propenoic acid
  106087.1202  0.0011 -5.2718 3  108.9456 29  72503 3031411 3      1311 2        s-trans-Propenoic acid
  106087.1202  0.0011 -5.2718 3  108.9456 29  72503 3031411 4      1311 3        s-trans-Propenoic acid
  106188.0355  0.0014 -5.4600 3   82.7662 29  72503 30314 312      13 211        s-trans-Propenoic acid
  106232.6492  0.0011 -5.1533 3  104.0978 29  72503 3031410 5      1310 4        s-trans-Propenoic acid
  106232.6495  0.0011 -5.1533 3  104.0978 29  72503 3031410 4      1310 3        s-trans-Propenoic acid
  106287.8226  0.0024 -5.3766 3  145.9978 51  72503 30325 620      25 521        s-trans-Propenoic acid
  106392.7500  0.0344 -6.5862 3  529.7689107  72503 303532232      522329        s-trans-Propenoic acid
  106392.7580  0.0344 -6.5862 3  529.7689107  72503 303532231      522330        s-trans-Propenoic acid
  106429.7435  0.0011 -5.0641 3   99.7179 29  72503 30314 9 6      13 9 5        s-trans-Propenoic acid
  106429.7623  0.0011 -5.0641 3   99.7179 29  72503 30314 9 5      13 9 4        s-trans-Propenoic acid
  106491.6969  0.0044 -5.9391 3  196.4449 63  72503 30331 724      31 725        s-trans-Propenoic acid
  106531.1209  0.0027 -6.0664 3  173.6066 57  72503 30328 821      27 918        s-trans-Propenoic acid
  106559.2458  0.0013 -4.8411 3   84.8728 29  72503 30314 411      13 410        s-trans-Propenoic acid
  106592.4018  0.0035 -6.2222 3  130.5851 45  72503 30322 716      22 517        s-trans-Propenoic acid
  106596.7170  0.0106 -6.2577 3  343.6165 85  72503 303421627      411724        s-trans-Propenoic acid
  106607.0968  0.0106 -6.2576 3  343.6165 85  72503 303421626      411725        s-trans-Propenoic acid
  106707.9154  0.0011 -4.9939 3   95.8091 29  72503 30314 8 7      13 8 6        s-trans-Propenoic acid
  106708.6076  0.0011 -4.9939 3   95.8091 29  72503 30314 8 6      13 8 5        s-trans-Propenoic acid
  106741.4832  0.0080 -6.8986 3  254.0942 75  72503 30337 829      361026        s-trans-Propenoic acid
  106867.7030  0.0054 -5.9589 3  225.7810 69  72503 30334 826      34 827        s-trans-Propenoic acid
  106888.7078  0.0017 -5.7516 3   67.2612 17  72503 303 8 4 5       7 3 4        s-trans-Propenoic acid
  106892.2003  0.0023 -5.9369 3  145.9777 51  72503 30325 620      25 421        s-trans-Propenoic acid
  107116.9262  0.0012 -4.9367 3   92.3764 29  72503 30314 7 8      13 7 7        s-trans-Propenoic acid
  107133.3291  0.0076 -6.8579 3  247.8212 73  72503 30336 927      351124        s-trans-Propenoic acid
  107133.8609  0.0012 -4.9366 3   92.3767 29  72503 30314 7 7      13 7 6        s-trans-Propenoic acid
  107192.7893  0.0061 -6.3290 3  205.1043 65  72503 30332 825      31 922        s-trans-Propenoic acid
  107200.8240  0.0780 -7.0122 3  762.9098129  72503 303642836      632935        s-trans-Propenoic acid
  107200.8240  0.0780 -7.0122 3  762.9098129  72503 303642837      632934        s-trans-Propenoic acid
  107221.9822  0.0039 -5.8970 3  110.0457 39  72503 30319 514      18 613        s-trans-Propenoic acid
  107276.2600  0.0042 -6.0111 3  159.7082 53  72503 30326 818      25 917        s-trans-Propenoic acid
  107534.4523  0.0013 -5.4007 3   86.3082 31  72503 30315 213      14 312        s-trans-Propenoic acid
  107612.4360  0.0024 -5.3227 3  162.8689 55  72503 30327 721      27 622        s-trans-Propenoic acid
  107680.0258  0.0012 -4.8893 3   89.4279 29  72503 30314 6 9      13 6 8        s-trans-Propenoic acid
  107765.8668  0.0019 -5.6306 3   65.4886 13  72503 303 6 5 2       5 4 1        s-trans-Propenoic acid
  107776.1603  0.0019 -5.6305 3   65.4883 13  72503 303 6 5 1       5 4 2        s-trans-Propenoic acid
  107886.7396  0.0030 -5.7739 3   98.5350 35  72503 30317 413      16 512        s-trans-Propenoic acid
  107942.1418  0.0013 -4.8872 3   89.4342 29  72503 30314 6 8      13 6 7        s-trans-Propenoic acid
  107959.2138  0.0402 -6.6401 3  567.6875111  72503 303552333      542430        s-trans-Propenoic acid
  107959.2165  0.0402 -6.6401 3  567.6875111  72503 303552332      542431        s-trans-Propenoic acid
  107976.0581  0.0134 -6.2939 3  373.2306 89  72503 303441728      431825        s-trans-Propenoic acid
  107977.2989  0.0013 -4.8535 3   86.9596 29  72503 30314 510      13 5 9        s-trans-Propenoic acid
  107979.7768  0.0134 -6.2938 3  373.2306 89  72503 303441727      431826        s-trans-Propenoic acid
  108046.2091  0.0022 -5.2811 3  169.8780 55  72503 30327 919      27 820        s-trans-Propenoic acid
  108058.5042  0.0129 -7.0459 3  310.2371 85  72503 30342 933      411130        s-trans-Propenoic acid
  108188.9535  0.0021 -5.2875 3  162.8494 53  72503 30326 918      26 819        s-trans-Propenoic acid
  108223.4802  0.0029 -6.0385 3  204.6222 63  72503 303311022      301119        s-trans-Propenoic acid
  108230.1748  0.0021 -5.3245 3  143.4284 47  72503 30323 914      23 815        s-trans-Propenoic acid
  108345.4689  0.0107 -5.4349 3  429.8803101  72503 303501436      501337        s-trans-Propenoic acid
  108345.6982  0.0025 -6.1298 3  107.6271 41  72503 30320 218      20 219        s-trans-Propenoic acid
  108347.7524  0.0025 -5.6770 3  107.6270 41  72503 30320 218      20 119        s-trans-Propenoic acid
  108404.3953  0.0025 -5.6765 3  107.6271 41  72503 30320 318      20 219        s-trans-Propenoic acid
  108406.4496  0.0025 -6.1293 3  107.6270 41  72503 30320 318      20 119        s-trans-Propenoic acid
  108464.5438  0.0022 -5.2734 3  177.1601 57  72503 30328 920      28 821        s-trans-Propenoic acid
  108621.1320  0.0040 -5.3055 3  196.3739 63  72503 30331 724      31 625        s-trans-Propenoic acid
  108748.9025  0.0020 -5.2935 3  156.0808 51  72503 30325 917      25 818        s-trans-Propenoic acid
  108776.4315  0.0211 -6.1390 3  382.6618 95  72503 303471235      471236        s-trans-Propenoic acid
  108836.0737  0.0877 -7.0844 3  809.1062133  72503 303662937      653036        s-trans-Propenoic acid
  108836.0737  0.0877 -7.0844 3  809.1062133  72503 303662938      653035        s-trans-Propenoic acid
  108845.7738  0.0013 -4.7819 3   86.3082 31  72503 30315 313      14 312        s-trans-Propenoic acid
  108982.1089  0.0014 -5.2255 3   87.3680 33  72503 30316 115      15 214        s-trans-Propenoic acid
  108993.8748  0.0014 -5.1156 3   87.8918 35  72503 30317 017      16 116        s-trans-Propenoic acid
  108994.2029  0.0014 -4.7090 3   87.8918 35  72503 30317 117      16 116        s-trans-Propenoic acid
  108994.5881  0.0014 -4.7090 3   87.8918 35  72503 30317 017      16 016        s-trans-Propenoic acid
  108994.9162  0.0014 -5.1156 3   87.8918 35  72503 30317 117      16 016        s-trans-Propenoic acid
  109018.1114  0.0014 -4.7444 3   87.3680 33  72503 30316 215      15 214        s-trans-Propenoic acid
  109053.7563  0.0014 -4.7441 3   87.3656 33  72503 30316 115      15 114        s-trans-Propenoic acid
  109089.7588  0.0014 -5.2246 3   87.3656 33  72503 30316 215      15 114        s-trans-Propenoic acid
  109142.1991  0.0029 -5.9143 3  152.3471 53  72503 30326 521      26 522        s-trans-Propenoic acid
  109195.2024  0.0087 -5.4475 3  443.7678103  72503 303511437      511338        s-trans-Propenoic acid
  109393.7666  0.0167 -6.3334 3  404.3150 93  72503 303461829      451926        s-trans-Propenoic acid
  109395.0813  0.0167 -6.3334 3  404.3150 93  72503 303461828      451927        s-trans-Propenoic acid
  109478.8090  0.0029 -5.3622 3  152.3359 53  72503 30326 521      26 422        s-trans-Propenoic acid
  109537.0827  0.0465 -6.6976 3  607.0720115  72503 303572434      562531        s-trans-Propenoic acid
  109537.0836  0.0465 -6.6976 3  607.0720115  72503 303572433      562532        s-trans-Propenoic acid
  109571.1488  0.0023 -5.2638 3  184.6887 59  72503 30329 921      29 822        s-trans-Propenoic acid
  109582.7671  0.0020 -5.2999 3  149.5770 49  72503 30324 916      24 817        s-trans-Propenoic acid
  109594.3544  0.0037 -6.6931 3   93.2222 31  72503 30315 610      15 411        s-trans-Propenoic acid
  109622.4843  0.0023 -5.9249 3  162.8019 55  72503 30327 721      27 522        s-trans-Propenoic acid
  109799.0264  0.0050 -6.7349 3  225.6832 69  72503 30334 826      331023        s-trans-Propenoic acid
  109804.6362  0.0013 -4.7733 3   86.2325 31  72503 30315 213      14 212        s-trans-Propenoic acid
  109985.1907  0.0032 -6.0464 3  225.8992 67  72503 303331123      321220        s-trans-Propenoic acid
  109990.1488  0.0024 -5.2785 3  181.0198 59  72503 30329 822      29 723        s-trans-Propenoic acid
  110049.3260  0.0025 -5.9991 3  121.2203 45  72503 30322 319      22 320        s-trans-Propenoic acid
  110064.5452  0.0025 -5.5166 3  121.2198 45  72503 30322 319      22 220        s-trans-Propenoic acid
  110127.7156  0.0017 -5.7410 3   67.1696 17  72503 303 8 4 4       7 3 5        s-trans-Propenoic acid
  110189.0326  0.0014 -4.8354 3   87.0394 29  72503 30314 5 9      13 5 8        s-trans-Propenoic acid
  110330.3554  0.0024 -5.5146 3  121.2203 45  72503 30322 419      22 320        s-trans-Propenoic acid
  110343.6260  0.0020 -5.3262 3  137.4230 45  72503 30322 913      22 814        s-trans-Propenoic acid
  110345.5746  0.0024 -5.9970 3  121.2198 45  72503 30322 419      22 220        s-trans-Propenoic acid
  110458.9450  0.0252 -7.1139 3  357.2257 91  72503 303451233      441430        s-trans-Propenoic acid
  110476.7142  0.0982 -7.1600 3  856.7637137  72503 303683038      673137        s-trans-Propenoic acid
  110476.7142  0.0982 -7.1600 3  856.7637137  72503 303683039      673136        s-trans-Propenoic acid
  110500.9439  0.0046 -5.2872 3  225.6598 69  72503 30334 826      34 727        s-trans-Propenoic acid
  110520.8669  0.0034 -5.2663 3  188.7018 59  72503 303291019      29 920        s-trans-Propenoic acid
  110537.5695  0.0109 -6.9156 3  281.5269 79  72503 303391029      381226        s-trans-Propenoic acid
  110562.7483  0.0019 -5.3075 3  143.3418 47  72503 30323 915      23 816        s-trans-Propenoic acid
  110566.4831  0.0026 -5.9327 3  136.1327 49  72503 30324 420      24 421        s-trans-Propenoic acid
  110646.8708  0.0026 -5.4179 3  136.1300 49  72503 30324 420      24 321        s-trans-Propenoic acid
  110736.6146  0.0103 -5.3382 3  348.6006 89  72503 303441331      441232        s-trans-Propenoic acid
  110749.0725  0.0031 -6.0690 3  180.9945 59  72503 30329 822      28 919        s-trans-Propenoic acid
  110843.5392  0.0204 -6.3764 3  436.8690 97  72503 303481930      472027        s-trans-Propenoic acid
  110843.9986  0.0204 -6.3764 3  436.8690 97  72503 303481929      472028        s-trans-Propenoic acid
  110943.5682  0.0141 -5.4059 3  416.2145 99  72503 303491435      491336        s-trans-Propenoic acid
  111115.9577  0.0014 -5.3690 3   86.2325 31  72503 30315 313      14 212        s-trans-Propenoic acid
  111125.0923  0.0536 -6.7585 3  647.9217119  72503 303592535      582632        s-trans-Propenoic acid
  111125.0926  0.0536 -6.7585 3  647.9217119  72503 303592534      582633        s-trans-Propenoic acid
  111277.9327  0.0038 -6.0646 3  248.6544 71  72503 303351224      341321        s-trans-Propenoic acid
  111388.5027  0.0106 -5.3616 3  369.7688 93  72503 303461234      461135        s-trans-Propenoic acid
  111398.1348  0.0056 -5.2871 3  257.6547 75  72503 30337 928      37 829        s-trans-Propenoic acid
  111419.6952  0.0087 -5.3276 3  329.7212 87  72503 303431132      431033        s-trans-Propenoic acid
  111460.3666  0.0024 -5.2518 3  192.4563 61  72503 30330 922      30 823        s-trans-Propenoic acid
  111465.3361  0.0048 -6.1979 3  196.7376 63  72503 30331 824      30 921        s-trans-Propenoic acid
  111556.8680  0.0165 -7.0034 3  317.9956 85  72503 303421131      411328        s-trans-Propenoic acid
  111577.5022  0.0069 -5.3017 3  292.3460 81  72503 303401030      40 931        s-trans-Propenoic acid
  111586.3733  0.0018 -5.3172 3  137.3775 45  72503 30322 914      22 815        s-trans-Propenoic acid
  111625.1235  0.0040 -6.2967 3  124.7079 43  72503 30321 715      21 516        s-trans-Propenoic acid
  111632.2045  0.0024 -5.4106 3  136.1327 49  72503 30324 520      24 421        s-trans-Propenoic acid
  111651.0158  0.0013 -4.7849 3   84.1998 29  72503 30314 311      13 310        s-trans-Propenoic acid
  111712.5923  0.0024 -5.9246 3  136.1300 49  72503 30324 520      24 321        s-trans-Propenoic acid
  111746.1814  0.0141 -6.6351 3  310.2371 85  72503 303421033      411130        s-trans-Propenoic acid
  111951.8239  0.0018 -5.3340 3  131.7077 43  72503 30321 912      21 813        s-trans-Propenoic acid
  111982.5480  0.0119 -5.4010 3  412.4792 99  72503 303491336      491237        s-trans-Propenoic acid
  112060.5586  0.0027 -6.3521 3   99.4219 39  72503 30319 118      19 119        s-trans-Propenoic acid
  112060.6269  0.0027 -5.9290 3   99.4219 39  72503 30319 118      19 019        s-trans-Propenoic acid
  112064.8205  0.0027 -5.9290 3   99.4219 39  72503 30319 218      19 119        s-trans-Propenoic acid
  112064.8888  0.0027 -6.3521 3   99.4219 39  72503 30319 218      19 019        s-trans-Propenoic acid
  112069.2597  0.0067 -5.2833 3  288.1234 79  72503 303391227      391128        s-trans-Propenoic acid
  112273.1032  0.0039 -6.0565 3  248.6528 71  72503 303351223      341322        s-trans-Propenoic acid
  112320.1447  0.0246 -6.4229 3  470.8919101  72503 303502031      492128        s-trans-Propenoic acid
  112320.3036  0.0246 -6.4229 3  470.8919101  72503 303502030      492129        s-trans-Propenoic acid
  112339.2464  0.0018 -5.7131 3   69.3775 19  72503 303 9 4 6       8 3 5        s-trans-Propenoic acid
  112379.8661  0.0035 -6.0264 3  225.8950 67  72503 303331122      321221        s-trans-Propenoic acid
  112420.0284  0.0048 -6.0891 3  272.8852 75  72503 303371325      361422        s-trans-Propenoic acid
  112483.7433  0.0064 -6.7729 3  244.2958 73  72503 30336 828      351025        s-trans-Propenoic acid
  112494.5913  0.0024 -5.3402 3  152.3471 53  72503 30326 621      26 522        s-trans-Propenoic acid
  112546.4960  0.0046 -5.2548 3  234.8221 69  72503 303341123      341024        s-trans-Propenoic acid
  112557.1218  0.0038 -6.1114 3  188.7018 61  72503 30330 823      29 920        s-trans-Propenoic acid
  112558.2197  0.0018 -6.7085 3   65.6229 17  72503 303 8 3 5       7 1 6        s-trans-Propenoic acid
  112580.2019  0.0018 -5.3295 3  131.6850 43  72503 30321 913      21 814        s-trans-Propenoic acid
  112645.9552  0.0090 -6.4499 3  254.0942 75  72503 30337 929      361026        s-trans-Propenoic acid
  112722.2120  0.0612 -6.8229 3  690.2358123  72503 303612636      602733        s-trans-Propenoic acid
  112722.2121  0.0612 -6.8229 3  690.2358123  72503 303612635      602734        s-trans-Propenoic acid
  112817.7075  0.0049 -6.0859 3  272.8846 75  72503 303371324      361423        s-trans-Propenoic acid
  112831.2013  0.0024 -5.8887 3  152.3359 53  72503 30326 621      26 422        s-trans-Propenoic acid
  113029.3962  0.0047 -5.9361 3  143.3418 49  72503 30324 717      23 816        s-trans-Propenoic acid
  113194.6403  0.0476 -6.2672 3  487.1254109  72503 303541440      541441        s-trans-Propenoic acid
  113196.8410  0.0018 -5.3471 3  126.2748 41  72503 30320 911      20 812        s-trans-Propenoic acid
  113334.9674  0.0025 -5.2907 3  169.8484 57  72503 30328 722      28 623        s-trans-Propenoic acid
  113369.0317  0.0018 -5.5092 3   92.2169 33  72503 30316 313      15 412        s-trans-Propenoic acid
  113441.1048  0.0016 -5.6999 3  129.8135 31  72503 3031514 1      1414 0        s-trans-Propenoic acid
  113441.1048  0.0016 -5.6999 3  129.8135 31  72503 3031514 2      1414 1        s-trans-Propenoic acid
  113496.6215  0.0028 -5.9909 3  192.3884 61  72503 30330 922      291019        s-trans-Propenoic acid
  113498.1560  0.0018 -5.3450 3  126.2640 41  72503 30320 912      20 813        s-trans-Propenoic acid
  113526.7169  0.0014 -5.4004 3  123.5716 31  72503 3031513 2      1413 1        s-trans-Propenoic acid
  113526.7169  0.0014 -5.4004 3  123.5716 31  72503 3031513 3      1413 2        s-trans-Propenoic acid
  113555.4307  0.0064 -6.1179 3  298.5899 79  72503 303391426      381523        s-trans-Propenoic acid
  113611.5683  0.0013 -4.7592 3   88.4272 31  72503 30315 412      14 411        s-trans-Propenoic acid
  113621.6412  0.0052 -6.7143 3  234.8221 71  72503 30335 827      341024        s-trans-Propenoic acid
  113629.5345  0.0015 -4.7801 3   85.3614 29  72503 30314 410      13 4 9        s-trans-Propenoic acid
  113633.4899  0.0013 -5.2273 3  117.7949 31  72503 3031512 3      1412 2        s-trans-Propenoic acid
  113633.4899  0.0013 -5.2273 3  117.7949 31  72503 3031512 4      1412 3        s-trans-Propenoic acid
  113683.8221  0.0124 -5.4434 3  457.8460105  72503 303521438      521339        s-trans-Propenoic acid
  113685.0956  0.0028 -6.9381 3   74.8755 23  72503 30311 4 7      11 110        s-trans-Propenoic acid
  113689.5581  0.0036 -5.9915 3  204.6111 63  72503 303311021      301120        s-trans-Propenoic acid
  113709.5641  0.0064 -6.1167 3  298.5897 79  72503 303391425      381524        s-trans-Propenoic acid
  113732.0515  0.0034 -5.8743 3  177.0363 59  72503 30329 623      29 624        s-trans-Propenoic acid
  113769.8411  0.0012 -5.1067 3  112.4843 31  72503 3031511 4      1411 3        s-trans-Propenoic acid
  113769.8411  0.0012 -5.1067 3  112.4843 31  72503 3031511 5      1411 4        s-trans-Propenoic acid
  113819.3889  0.0293 -6.4727 3  506.3829105  72503 303522132      512229        s-trans-Propenoic acid
  113819.4433  0.0293 -6.4727 3  506.3829105  72503 303522131      512230        s-trans-Propenoic acid
  113886.9614  0.0140 -6.0437 3  341.5708 89  72503 303441133      441134        s-trans-Propenoic acid
  113948.8768  0.0011 -5.0153 3  107.6413 31  72503 3031510 6      1410 5        s-trans-Propenoic acid
  113948.8784  0.0011 -5.0153 3  107.6413 31  72503 3031510 5      1410 4        s-trans-Propenoic acid
  114179.7411  0.0018 -5.3651 3  121.1186 39  72503 30319 910      19 811        s-trans-Propenoic acid
  114181.8091  0.0025 -5.2373 3  200.4556 63  72503 30331 923      31 824        s-trans-Propenoic acid
  114192.0631  0.0011 -4.9429 3  103.2681 31  72503 30315 9 7      14 9 6        s-trans-Propenoic acid
  114192.1342  0.0011 -4.9429 3  103.2681 31  72503 30315 9 6      14 9 5        s-trans-Propenoic acid
  114316.4319  0.0018 -5.3642 3  121.1138 39  72503 30319 911      19 812        s-trans-Propenoic acid
  114327.5960  0.0696 -6.8907 3  734.0134127  72503 303632736      622835        s-trans-Propenoic acid
  114327.5960  0.0696 -6.8907 3  734.0134127  72503 303632737      622834        s-trans-Propenoic acid
  114407.8919  0.0032 -5.2941 3  177.0138 59  72503 30329 623      29 524        s-trans-Propenoic acid
  114466.3847  0.0014 -5.3006 3   89.9389 33  72503 30316 214      15 313        s-trans-Propenoic acid
  114512.1114  0.0024 -5.8774 3  169.8092 57  72503 30328 722      28 523        s-trans-Propenoic acid
  114536.3252  0.0012 -4.8838 3   99.3685 31  72503 30315 8 8      14 8 7        s-trans-Propenoic acid
  114538.4556  0.0012 -4.8838 3   99.3685 31  72503 30315 8 7      14 8 6        s-trans-Propenoic acid
  114583.6836  0.0375 -6.8797 3  429.8803103  72503 303511240      501337        s-trans-Propenoic acid
  114676.3421  0.0026 -6.0868 3  112.3018 43  72503 30321 219      21 220        s-trans-Propenoic acid
  114677.3248  0.0026 -5.6374 3  112.3018 43  72503 30321 219      21 120        s-trans-Propenoic acid
  114706.3999  0.0026 -5.6371 3  112.3018 43  72503 30321 319      21 220        s-trans-Propenoic acid
  114707.3826  0.0026 -6.0866 3  112.3018 43  72503 30321 319      21 120        s-trans-Propenoic acid
  114737.6128  0.0083 -6.1504 3  325.7675 83  72503 303411527      401624        s-trans-Propenoic acid
  114756.9953  0.0029 -5.9776 3  173.3322 57  72503 30328 821      28 622        s-trans-Propenoic acid
  114795.8939  0.0083 -6.1500 3  325.7674 83  72503 303411526      401625        s-trans-Propenoic acid
  114818.1162  0.0026 -5.2532 3  188.6264 61  72503 30330 823      30 724        s-trans-Propenoic acid
  114934.0841  0.0029 -5.2433 3  180.9945 57  72503 303281018      28 919        s-trans-Propenoic acid
  114968.7564  0.0018 -5.3880 3  116.2349 37  72503 30318 9 9      18 810        s-trans-Propenoic acid
  115027.1897  0.0018 -5.3876 3  116.2328 37  72503 30318 910      18 811        s-trans-Propenoic acid
  115037.8868  0.0012 -4.8342 3   95.9494 31  72503 30315 7 9      14 7 8        s-trans-Propenoic acid
  115043.0454  0.0025 -7.0777 3   76.7208 23  72503 30311 5 6      11 3 9        s-trans-Propenoic acid
  115080.8288  0.0012 -4.8339 3   95.9503 31  72503 30315 7 8      14 7 7        s-trans-Propenoic acid
  115085.3538  0.0154 -5.4753 3  490.9011109  72503 303541539      541440        s-trans-Propenoic acid
  115200.9673  0.0014 -4.7108 3   89.9389 33  72503 30316 314      15 313        s-trans-Propenoic acid
  115220.8937  0.0014 -5.0483 3   91.5275 37  72503 30318 018      17 117        s-trans-Propenoic acid
  115221.0438  0.0014 -4.6434 3   91.5275 37  72503 30318 118      17 117        s-trans-Propenoic acid
  115221.2218  0.0014 -4.6434 3   91.5275 37  72503 30318 018      17 017        s-trans-Propenoic acid
  115221.3718  0.0014 -5.0483 3   91.5275 37  72503 30318 118      17 017        s-trans-Propenoic acid
  115228.4587  0.0014 -5.1502 3   91.0044 35  72503 30317 116      16 215        s-trans-Propenoic acid
  115246.3226  0.0014 -4.6768 3   91.0044 35  72503 30317 216      16 215        s-trans-Propenoic acid
  115264.4612  0.0014 -4.6766 3   91.0032 35  72503 30317 116      16 115        s-trans-Propenoic acid
  115271.4564  0.0019 -5.5757 3   67.0107 15  72503 303 7 5 3       6 4 2        s-trans-Propenoic acid
  115282.3251  0.0014 -5.1497 3   91.0032 35  72503 30317 216      16 115        s-trans-Propenoic acid
  115323.0514  0.0019 -5.5754 3   67.0091 15  72503 303 7 5 2       6 4 3        s-trans-Propenoic acid
  115337.9384  0.0346 -6.5260 3  543.3414109  72503 303542233      532330        s-trans-Propenoic acid
  115337.9570  0.0346 -6.5260 3  543.3414109  72503 303542232      532331        s-trans-Propenoic acid
  115609.2773  0.0019 -5.4160 3  111.6204 35  72503 30317 9 8      17 8 9        s-trans-Propenoic acid
  115632.6851  0.0018 -5.4158 3  111.6195 35  72503 30317 9 9      17 810        s-trans-Propenoic acid
  115663.8730  0.0013 -4.7926 3   93.0197 31  72503 30315 610      14 6 9        s-trans-Propenoic acid
  115680.5563  0.0026 -5.9284 3  180.8300 59  72503 30329 822      29 623        s-trans-Propenoic acid
  115718.1415  0.0013 -4.7635 3   90.5614 31  72503 30315 511      14 510        s-trans-Propenoic acid
  115754.2971  0.0997 -6.4459 3  606.0187123  72503 303611645      611646        s-trans-Propenoic acid
  115777.7062  0.0014 -4.7061 3   89.8952 33  72503 30316 214      15 213        s-trans-Propenoic acid
  115808.8691  0.3462 -6.9407 3  886.9905151  72503 303752055      752056        s-trans-Propenoic acid
  115896.7214  0.0034 -6.0307 3  166.0121 55  72503 30327 820      27 621        s-trans-Propenoic acid
  115940.5458  0.0787 -6.9620 3  779.2536131  72503 303652837      642936        s-trans-Propenoic acid
  115940.5458  0.0787 -6.9620 3  779.2536131  72503 303652838      642935        s-trans-Propenoic acid
  115960.6796  0.0037 -6.7920 3   89.1517 29  72503 30314 6 9      14 410        s-trans-Propenoic acid
  115979.3242  0.0107 -6.1864 3  354.4170 87  72503 303431628      421725        s-trans-Propenoic acid
  116000.9144  0.0107 -6.1862 3  354.4170 87  72503 303431627      421726        s-trans-Propenoic acid
  116131.9793  0.0019 -5.4498 3  107.2725 33  72503 30316 9 7      16 8 8        s-trans-Propenoic acid
  116140.7007  0.0019 -5.4498 3  107.2722 33  72503 30316 9 8      16 8 9        s-trans-Propenoic acid
  116208.7364  0.0013 -4.7886 3   93.0347 31  72503 30315 6 9      14 6 8        s-trans-Propenoic acid
  116405.4193  0.0162 -5.3636 3  402.8043 97  72503 303481434      481335        s-trans-Propenoic acid
  116512.2888  0.0014 -5.2837 3   89.8952 33  72503 30316 314      15 213        s-trans-Propenoic acid
  116556.5436  0.0025 -5.9550 3  126.5200 47  72503 30323 320      23 321        s-trans-Propenoic acid
  116558.4543  0.0020 -5.4906 3  103.1891 31  72503 30315 9 6      15 8 7        s-trans-Propenoic acid
  116561.4467  0.0020 -5.4906 3  103.1890 31  72503 30315 9 7      15 8 8        s-trans-Propenoic acid
  116564.1727  0.0025 -5.4779 3  126.5198 47  72503 30323 320      23 221        s-trans-Propenoic acid
  116580.3366  0.1927 -6.6712 3  739.3160137  72503 303681850      681851        s-trans-Propenoic acid
  116707.9267  0.0025 -5.4768 3  126.5200 47  72503 30323 420      23 321        s-trans-Propenoic acid
  116715.5557  0.0025 -5.9540 3  126.5198 47  72503 30323 420      23 221        s-trans-Propenoic acid
  116765.7983  0.0019 -5.6800 3   71.7865 21  72503 30310 4 7       9 3 6        s-trans-Propenoic acid
  116866.3575  0.0028 -5.8588 3  158.9036 55  72503 30327 522      27 523        s-trans-Propenoic acid
  116873.1386  0.0404 -6.5827 3  581.7664113  72503 303562334      552431        s-trans-Propenoic acid
  116873.1449  0.0404 -6.5827 3  581.7664113  72503 303562333      552432        s-trans-Propenoic acid
  116904.7757  0.0021 -5.5403 3   99.3685 29  72503 30314 9 5      14 8 6        s-trans-Propenoic acid
  116905.7088  0.0021 -5.5403 3   99.3685 29  72503 30314 9 6      14 8 7        s-trans-Propenoic acid
  116913.5175  0.0135 -5.4868 3  505.8667111  72503 303551540      551441        s-trans-Propenoic acid
  116931.4369  0.0209 -5.4473 3  476.1467107  72503 303531538      531439        s-trans-Propenoic acid
  116970.7381  0.0041 -5.9450 3  184.8001 59  72503 30329 920      281019        s-trans-Propenoic acid
  117011.0543  0.0040 -5.8622 3  204.4727 65  72503 30332 725      32 726        s-trans-Propenoic acid
  117050.9220  0.0028 -5.3186 3  158.8975 55  72503 30327 522      27 423        s-trans-Propenoic acid
  117183.6210  0.0022 -5.6017 3   95.8091 27  72503 30313 9 4      13 8 5        s-trans-Propenoic acid
  117183.8806  0.0022 -5.6017 3   95.8091 27  72503 30313 9 5      13 8 6        s-trans-Propenoic acid
  117277.6777  0.0135 -6.2256 3  384.5376 91  72503 303451729      441826        s-trans-Propenoic acid
  117285.5385  0.0135 -6.2256 3  384.5376 91  72503 303451728      441827        s-trans-Propenoic acid
  117294.7047  0.0094 -5.9671 3  303.2029 83  72503 303411031      411032        s-trans-Propenoic acid
  117405.4840  0.0023 -5.6801 3   92.5095 25  72503 30312 9 3      12 8 4        s-trans-Propenoic acid
  117405.5469  0.0023 -5.6801 3   92.5095 25  72503 30312 9 4      12 8 5        s-trans-Propenoic acid
  117446.5915  0.0030 -5.9675 3  212.6742 65  72503 303321023      311120        s-trans-Propenoic acid
  117461.7143  0.0026 -5.8852 3  142.0596 51  72503 30325 421      25 422        s-trans-Propenoic acid
  117503.8669  0.0026 -5.3783 3  142.0582 51  72503 30325 421      25 322        s-trans-Propenoic acid
  117560.4816  0.0886 -7.0367 3  825.9555135  72503 303672938      663037        s-trans-Propenoic acid
  117560.4816  0.0886 -7.0367 3  825.9555135  72503 303672939      663036        s-trans-Propenoic acid
  117579.3515  0.0024 -5.7853 3   89.4683 23  72503 30311 9 2      11 8 3        s-trans-Propenoic acid
  117579.3642  0.0024 -5.7853 3   89.4683 23  72503 30311 9 3      11 8 4        s-trans-Propenoic acid
  117713.0788  0.0025 -5.9401 3   86.6845 21  72503 30310 9 1      10 8 2        s-trans-Propenoic acid
  117713.0808  0.0025 -5.9401 3   86.6845 21  72503 30310 9 2      10 8 3        s-trans-Propenoic acid
  117734.9215  0.0027 -5.2205 3  208.6799 65  72503 30332 924      32 825        s-trans-Propenoic acid
  117813.6046  0.0026 -6.2175 3   84.1571 19  72503 303 9 9 0       9 8 1        s-trans-Propenoic acid
  117813.6048  0.0026 -6.2175 3   84.1571 19  72503 303 9 9 1       9 8 2        s-trans-Propenoic acid
  118045.7078  0.0014 -4.7157 3   87.9240 31  72503 30315 312      14 311        s-trans-Propenoic acid
  118066.0921  0.0025 -5.3743 3  142.0596 51  72503 30325 521      25 422        s-trans-Propenoic acid
  118098.2037  0.0103 -5.2889 3  336.5862 87  72503 303431330      431231        s-trans-Propenoic acid
  118108.2446  0.0025 -5.8808 3  142.0582 51  72503 30325 521      25 322        s-trans-Propenoic acid
  118115.0401  0.0043 -6.3734 3  119.0465 41  72503 30320 714      20 515        s-trans-Propenoic acid
  118268.9492  0.0037 -5.2524 3  204.4307 65  72503 30332 725      32 626        s-trans-Propenoic acid
  118308.5175  0.0028 -6.3125 3  103.6807 41  72503 30320 119      20 120        s-trans-Propenoic acid
  118308.5485  0.0028 -5.8908 3  103.6807 41  72503 30320 119      20 020        s-trans-Propenoic acid
  118310.5718  0.0028 -5.8908 3  103.6807 41  72503 30320 219      20 120        s-trans-Propenoic acid
  118310.6027  0.0028 -6.3124 3  103.6807 41  72503 30320 219      20 020        s-trans-Propenoic acid
  118345.0350  0.0025 -5.8825 3  188.5088 61  72503 30330 823      30 624        s-trans-Propenoic acid
  118385.6088  0.0025 -5.2287 3  173.6066 55  72503 303271017      27 918        s-trans-Propenoic acid
  118422.8607  0.0469 -6.6429 3  621.6574117  72503 303582435      572532        s-trans-Propenoic acid
  118422.8628  0.0469 -6.6429 3  621.6574117  72503 303582434      572533        s-trans-Propenoic acid
  118609.8739  0.0192 -7.0406 3  360.9102 93  72503 303461036      451233        s-trans-Propenoic acid
  118625.2079  0.0168 -6.2682 3  416.1286 95  72503 303471830      461927        s-trans-Propenoic acid
  118628.0278  0.0168 -6.2682 3  416.1286 95  72503 303471829      461928        s-trans-Propenoic acid
  118727.8359  0.0041 -5.2168 3  225.6832 67  72503 303331122      331023        s-trans-Propenoic acid
  118786.1561  0.0025 -6.9955 3   79.6949 25  72503 30312 5 7      12 310        s-trans-Propenoic acid
  118795.2013  0.0049 -5.8749 3  234.6495 71  72503 30335 827      35 828        s-trans-Propenoic acid
  118876.4059  0.0025 -5.3059 3  158.9036 55  72503 30327 622      27 523        s-trans-Propenoic acid
  118924.1604  0.0065 -5.9104 3  267.5612 77  72503 30338 929      38 930        s-trans-Propenoic acid
  118952.1478  0.0026 -5.2034 3  204.2643 63  72503 303311022      31 923        s-trans-Propenoic acid
  119053.5601  0.0018 -5.7007 3   69.1943 19  72503 303 9 4 5       8 3 6        s-trans-Propenoic acid
  119057.1599  0.0046 -5.8298 3  128.4313 45  72503 30322 616      21 715        s-trans-Propenoic acid
  119060.9704  0.0025 -5.8443 3  158.8975 55  72503 30327 622      27 423        s-trans-Propenoic acid
  119065.5512  0.0025 -5.2047 3  196.1742 61  72503 303301021      30 922        s-trans-Propenoic acid
  119125.6003  0.0024 -6.7414 3   64.5249 17  72503 303 8 2 6       7 1 7        s-trans-Propenoic acid
  119208.1336  0.0105 -6.8635 3  299.0298 83  72503 30341 932      401129        s-trans-Propenoic acid
  119251.1481  0.0040 -6.0882 3  158.8717 53  72503 30326 819      26 620        s-trans-Propenoic acid
  119265.2552  0.0015 -4.7360 3   90.7149 31  72503 30315 510      14 5 9        s-trans-Propenoic acid
  119316.8011  0.0067 -6.7107 3  257.3906 75  72503 30337 928      361125        s-trans-Propenoic acid
  119422.4590  0.0026 -5.2597 3  177.0363 59  72503 30329 723      29 624        s-trans-Propenoic acid
  119457.8317  0.0026 -5.2005 3  212.6071 65  72503 303321023      32 924        s-trans-Propenoic acid
  119506.5389  0.0062 -5.2357 3  277.5406 77  72503 303381226      381127        s-trans-Propenoic acid
  119656.0351  0.0024 -5.2052 3  188.3436 59  72503 303291020      29 921        s-trans-Propenoic acid
  119706.1864  0.0033 -5.9713 3  234.4496 69  72503 303341124      331221        s-trans-Propenoic acid
  119967.1812  0.0021 -6.1012 3   67.7849 19  72503 303 9 3 6       8 2 7        s-trans-Propenoic acid
  119985.3841  0.0541 -6.7064 3  663.0133121  72503 303602536      592633        s-trans-Propenoic acid
  119985.3848  0.0541 -6.7064 3  663.0133121  72503 303602535      592634        s-trans-Propenoic acid
  120014.1272  0.0205 -6.3141 3  449.1892 99  72503 303491931      482028        s-trans-Propenoic acid
  120015.1259  0.0205 -6.3141 3  449.1892 99  72503 303491930      482029        s-trans-Propenoic acid
  120098.2994  0.0025 -5.8330 3  177.0138 59  72503 30329 723      29 524        s-trans-Propenoic acid
  120202.8718  0.0020 -5.6461 3   74.4849 23  72503 30311 4 8      10 3 7        s-trans-Propenoic acid
  120216.8312  0.0324 -6.1450 3  439.7578103  72503 303511338      511339        s-trans-Propenoic acid
  120238.9366  0.0027 -5.2273 3  196.4449 63  72503 30331 824      31 725        s-trans-Propenoic acid
  120477.2441  0.0014 -4.6855 3   92.2169 33  72503 30316 413      15 412        s-trans-Propenoic acid
  120541.9259  0.0030 -5.9543 3  200.2435 63  72503 30331 923      301020        s-trans-Propenoic acid
  120576.8341  0.0023 -5.2056 3  180.7781 57  72503 303281019      28 920        s-trans-Propenoic acid
  120702.7808  0.0027 -5.1955 3  221.1951 67  72503 303331024      33 925        s-trans-Propenoic acid
  120987.3729  0.0027 -6.0475 3  117.1841 45  72503 30322 220      22 221        s-trans-Propenoic acid
  120987.8399  0.0027 -5.6010 3  117.1841 45  72503 30322 220      22 121        s-trans-Propenoic acid
  120992.3121  0.0019 -5.6651 3  140.3015 33  72503 3031615 1      1515 0        s-trans-Propenoic acid
  120992.3121  0.0019 -5.6651 3  140.3015 33  72503 3031615 2      1515 1        s-trans-Propenoic acid
  121001.0954  0.0044 -5.2333 3  234.5759 71  72503 30335 827      35 728        s-trans-Propenoic acid
  121002.5922  0.0027 -5.6009 3  117.1841 45  72503 30322 320      22 221        s-trans-Propenoic acid
  121003.0592  0.0027 -6.0474 3  117.1841 45  72503 30322 320      22 121        s-trans-Propenoic acid
  121042.8498  0.0023 -5.2213 3  166.5268 53  72503 303261016      26 917        s-trans-Propenoic acid
  121069.9296  0.0028 -5.5803 3  102.8967 37  72503 30318 414      17 513        s-trans-Propenoic acid
  121076.7281  0.0016 -5.3637 3  133.5975 33  72503 3031614 2      1514 1        s-trans-Propenoic acid
  121076.7281  0.0016 -5.3637 3  133.5975 33  72503 3031614 3      1514 2        s-trans-Propenoic acid
  121097.1584  0.0014 -5.2131 3   93.7816 35  72503 30317 215      16 314        s-trans-Propenoic acid
  121146.2000  0.0040 -5.9895 3  257.7067 73  72503 303361225      351322        s-trans-Propenoic acid
  121180.0915  0.0015 -5.1886 3  127.3584 33  72503 3031613 3      1513 2        s-trans-Propenoic acid
  121180.0915  0.0015 -5.1886 3  127.3584 33  72503 3031613 4      1513 3        s-trans-Propenoic acid
  121309.2814  0.0013 -5.0660 3  121.5853 33  72503 3031612 4      1512 3        s-trans-Propenoic acid
  121309.2814  0.0013 -5.0660 3  121.5853 33  72503 3031612 5      1512 4        s-trans-Propenoic acid
  121437.6626  0.0248 -6.3633 3  483.7187103  72503 303512032      502129        s-trans-Propenoic acid
  121438.0123  0.0248 -6.3633 3  483.7187103  72503 303512031      502130        s-trans-Propenoic acid
  121447.6805  0.0015 -4.9855 3   95.3709 39  72503 30319 019      18 118        s-trans-Propenoic acid
  121447.7488  0.0015 -4.5822 3   95.3709 39  72503 30319 119      18 118        s-trans-Propenoic acid
  121447.8306  0.0015 -4.5822 3   95.3709 39  72503 30319 019      18 018        s-trans-Propenoic acid
  121447.8989  0.0015 -4.9855 3   95.3709 39  72503 30319 119      18 018        s-trans-Propenoic acid
  121463.0611  0.0014 -5.0805 3   94.8487 37  72503 30318 117      17 216        s-trans-Propenoic acid
  121471.8285  0.0014 -4.6137 3   94.8487 37  72503 30318 217      17 216        s-trans-Propenoic acid
  121474.6196  0.0012 -4.9726 3  116.2793 33  72503 3031611 6      1511 5        s-trans-Propenoic acid
  121474.6197  0.0012 -4.9726 3  116.2793 33  72503 3031611 5      1511 4        s-trans-Propenoic acid
  121480.9250  0.0014 -4.6137 3   94.8481 37  72503 30318 117      17 116        s-trans-Propenoic acid
  121489.6924  0.0014 -5.0803 3   94.8481 37  72503 30318 217      17 116        s-trans-Propenoic acid
  121498.6202  0.0014 -4.6452 3   93.7816 35  72503 30317 315      16 314        s-trans-Propenoic acid
  121559.3063  0.0619 -6.7734 3  705.8333125  72503 303622637      612734        s-trans-Propenoic acid
  121559.3065  0.0619 -6.7734 3  705.8333125  72503 303622636      612735        s-trans-Propenoic acid
  121583.3058  0.0194 -5.4248 3  472.0911107  72503 303531439      531340        s-trans-Propenoic acid
  121650.5723  0.0021 -5.4390 3   67.5672 13  72503 303 6 6 1       5 5 0        s-trans-Propenoic acid
  121650.6453  0.0021 -5.4390 3   67.5672 13  72503 303 6 6 0       5 5 1        s-trans-Propenoic acid
  121692.0935  0.0022 -5.2067 3  173.4820 55  72503 303271018      27 919        s-trans-Propenoic acid
  121692.2600  0.0012 -4.8982 3  111.4422 33  72503 3031610 7      1510 6        s-trans-Propenoic acid
  121692.2667  0.0012 -4.8982 3  111.4422 33  72503 3031610 6      1510 5        s-trans-Propenoic acid
  121696.2271  0.0075 -6.2720 3  244.2958 73  72503 30336 928      351025        s-trans-Propenoic acid
  121700.0923  0.0168 -5.3704 3  425.8208101  72503 303501337      501238        s-trans-Propenoic acid
  121831.7410  0.0014 -4.6427 3   93.7571 35  72503 30317 215      16 214        s-trans-Propenoic acid
  121910.1884  0.0036 -6.8923 3   85.3614 27  72503 30313 6 8      13 4 9        s-trans-Propenoic acid
  121957.6907  0.0250 -5.4052 3  461.6381105  72503 303521537      521438        s-trans-Propenoic acid
  121988.8289  0.0012 -4.8371 3  107.0771 33  72503 30316 9 8      15 9 7        s-trans-Propenoic acid
  121989.0685  0.0012 -4.8371 3  107.0771 33  72503 30316 9 7      15 9 6        s-trans-Propenoic acid
  121999.1900  0.0214 -5.5303 3  556.5428117  72503 303581642      581543        s-trans-Propenoic acid
  122030.1983  0.0015 -4.6918 3   89.1517 31  72503 30315 411      14 410        s-trans-Propenoic acid
  122070.8284  0.0028 -5.2019 3  217.1233 67  72503 30333 925      33 826        s-trans-Propenoic acid
  122233.2027  0.0014 -5.2044 3   93.7571 35  72503 30317 315      16 214        s-trans-Propenoic acid
  122237.7700  0.0031 -5.8162 3  184.4313 61  72503 30330 624      30 625        s-trans-Propenoic acid
  122263.9410  0.0050 -6.0158 3  282.4411 77  72503 303381326      371423        s-trans-Propenoic acid
  122264.8248  0.0211 -6.6365 3  360.9102 93  72503 303461136      451233        s-trans-Propenoic acid
  122335.6549  0.0134 -5.3215 3  382.2095 95  72503 303471235      471136        s-trans-Propenoic acid
  122368.3717  0.0026 -5.8394 3  196.3739 63  72503 30331 824      31 625        s-trans-Propenoic acid
  122409.5749  0.0012 -4.7858 3  103.1890 33  72503 30316 8 9      15 8 8        s-trans-Propenoic acid
  122415.5436  0.0012 -4.7858 3  103.1891 33  72503 30316 8 8      15 8 7        s-trans-Propenoic acid
  122491.5286  0.0205 -5.4821 3  521.0130113  72503 303561541      561442        s-trans-Propenoic acid
  122560.9548  0.0038 -5.7014 3  114.9583 41  72503 30320 515      19 614        s-trans-Propenoic acid
  122607.5446  0.0056 -5.2335 3  267.4383 77  72503 30338 929      38 830        s-trans-Propenoic acid
  122619.2436  0.0030 -5.2507 3  184.4186 61  72503 30330 624      30 525        s-trans-Propenoic acid
  122648.1674  0.0048 -5.8773 3  166.4582 55  72503 30327 819      26 918        s-trans-Propenoic acid
  122662.4440  0.0016 -5.3691 3   96.2356 35  72503 30317 314      16 413        s-trans-Propenoic acid
  122683.8630  0.0020 -5.5252 3   68.7939 17  72503 303 8 5 4       7 4 3        s-trans-Propenoic acid
  122770.2428  0.0028 -5.1880 3  230.0206 69  72503 303341025      34 926        s-trans-Propenoic acid
  122826.7959  0.0021 -5.6058 3   77.4628 25  72503 30312 4 9      11 3 8        s-trans-Propenoic acid
  122872.3483  0.0019 -5.5242 3   68.7882 17  72503 303 8 5 3       7 4 4        s-trans-Propenoic acid
  122888.2600  0.0021 -5.2091 3  166.4582 53  72503 303261017      26 918        s-trans-Propenoic acid
  122890.2807  0.0296 -6.4159 3  519.7162107  72503 303532133      522230        s-trans-Propenoic acid
  122890.4019  0.0296 -6.4159 3  519.7162107  72503 303532132      522231        s-trans-Propenoic acid
  122983.1164  0.0043 -5.9757 3  257.7034 73  72503 303361224      351323        s-trans-Propenoic acid
  122983.8906  0.0101 -5.2805 3  341.2674 89  72503 303441133      441034        s-trans-Propenoic acid
  122985.1354  0.0297 -5.5035 3  540.7032115  72503 303571641      571542        s-trans-Propenoic acid
  123002.4429  0.0026 -5.9152 3  132.0271 49  72503 30324 321      24 322        s-trans-Propenoic acid
  123006.2330  0.0026 -5.4427 3  132.0270 49  72503 30324 321      24 222        s-trans-Propenoic acid
  123010.4152  0.0013 -4.7419 3   99.7867 33  72503 30316 710      15 7 9        s-trans-Propenoic acid
  123020.0465  0.0052 -6.0102 3  282.4399 77  72503 303381325      371424        s-trans-Propenoic acid
  123082.8306  0.0026 -5.4422 3  132.0271 49  72503 30324 421      24 322        s-trans-Propenoic acid
  123086.6207  0.0026 -5.9146 3  132.0270 49  72503 30324 421      24 222        s-trans-Propenoic acid
  123096.3011  0.0021 -5.2199 3  159.7443 51  72503 303251015      25 916        s-trans-Propenoic acid
  123110.9287  0.0013 -4.7412 3   99.7890 33  72503 30316 7 9      15 7 8        s-trans-Propenoic acid
  123143.4757  0.0704 -6.8437 3  750.1167129  72503 303642737      632836        s-trans-Propenoic acid
  123143.4757  0.0704 -6.8437 3  750.1167129  72503 303642738      632835        s-trans-Propenoic acid
  123188.5175  0.0581 -6.9171 3  490.9011111  72503 303551343      541440        s-trans-Propenoic acid
  123192.3060  0.0074 -5.2502 3  303.0062 83  72503 303411031      41 932        s-trans-Propenoic acid
  123306.5217  0.0065 -6.0472 3  308.6505 81  72503 303401427      391524        s-trans-Propenoic acid
  123324.1579  0.0014 -4.6825 3   94.4213 33  72503 30316 512      15 511        s-trans-Propenoic acid
  123606.9979  0.0066 -6.0450 3  308.6501 81  72503 303401426      391525        s-trans-Propenoic acid
  123652.3209  0.0014 -4.7051 3   96.8779 33  72503 30316 611      15 610        s-trans-Propenoic acid
  123828.1737  0.0167 -5.3127 3  389.6825 95  72503 303471433      471334        s-trans-Propenoic acid
  123902.2739  0.0036 -5.1864 3  216.8795 65  72503 303321121      321022        s-trans-Propenoic acid
  123967.8950  0.0039 -5.9384 3  234.4411 69  72503 303341123      331222        s-trans-Propenoic acid
  124020.1367  0.0014 -4.6542 3   91.8616 33  72503 30316 313      15 312        s-trans-Propenoic acid
  124033.4396  0.0031 -6.9509 3   76.4209 23  72503 30311 5 6      11 2 9        s-trans-Propenoic acid
  124079.7026  0.0020 -5.2135 3  159.7082 51  72503 303251016      25 917        s-trans-Propenoic acid
  124183.8645  0.0027 -5.8116 3  165.6669 57  72503 30328 523      28 524        s-trans-Propenoic acid
  124187.7899  0.0026 -5.8432 3  148.1935 53  72503 30326 422      26 423        s-trans-Propenoic acid
  124209.6463  0.0025 -5.3431 3  148.1927 53  72503 30326 422      26 323        s-trans-Propenoic acid
  124283.6782  0.0027 -5.2812 3  165.6635 57  72503 30328 523      28 424        s-trans-Propenoic acid
  124327.3440  0.0027 -6.9438 3   82.8923 27  72503 30313 5 8      13 311        s-trans-Propenoic acid
  124367.5539  0.0350 -6.4719 3  557.1810111  72503 303552234      542331        s-trans-Propenoic acid
  124367.5955  0.0350 -6.4719 3  557.1810111  72503 303552233      542332        s-trans-Propenoic acid
  124378.4636  0.0085 -6.0826 3  336.3334 85  72503 303421528      411625        s-trans-Propenoic acid
  124494.5736  0.0085 -6.0818 3  336.3332 85  72503 303421527      411626        s-trans-Propenoic acid
  124502.3371  0.0020 -6.5982 3   67.6336 19  72503 303 9 3 6       8 1 7        s-trans-Propenoic acid
  124524.3999  0.0025 -5.3410 3  148.1935 53  72503 30326 522      26 423        s-trans-Propenoic acid
  124546.2562  0.0025 -5.8409 3  148.1927 53  72503 30326 522      26 323        s-trans-Propenoic acid
  124552.7415  0.0030 -6.2758 3  108.1471 43  72503 30321 120      21 121        s-trans-Propenoic acid
  124552.7555  0.0030 -5.8554 3  108.1471 43  72503 30321 120      21 021        s-trans-Propenoic acid
  124553.7242  0.0030 -5.8554 3  108.1471 43  72503 30321 220      21 121        s-trans-Propenoic acid
  124553.7382  0.0030 -6.2758 3  108.1471 43  72503 30321 220      21 021        s-trans-Propenoic acid
  124579.7807  0.0712 -6.2988 3  552.3873117  72503 303581543      581544        s-trans-Propenoic acid
  124700.4863  0.0014 -4.6977 3   96.9110 33  72503 30316 610      15 6 9        s-trans-Propenoic acid
  124708.0195  0.0019 -5.2235 3  153.2504 49  72503 303241014      24 915        s-trans-Propenoic acid
  124710.7201  0.0046 -6.1491 3  151.9209 51  72503 30325 818      25 619        s-trans-Propenoic acid
  124736.9399  0.0797 -6.9174 3  795.8624133  72503 303662838      652937        s-trans-Propenoic acid
  124736.9399  0.0797 -6.9174 3  795.8624133  72503 303662839      652936        s-trans-Propenoic acid
  124787.0040  0.0028 -6.7668 3   79.4947 25  72503 30312 5 7      12 210        s-trans-Propenoic acid
  124881.7412  0.0213 -5.5406 3  572.5828119  72503 303591643      591544        s-trans-Propenoic acid
  124898.7014  0.0021 -5.5562 3   80.7066 27  72503 30313 410      12 3 9        s-trans-Propenoic acid
  125105.7349  0.0120 -6.4272 3  299.0298 83  72503 303411032      401129        s-trans-Propenoic acid
  125116.7253  0.0034 -6.9471 3   77.6910 25  72503 30312 4 8      12 111        s-trans-Propenoic acid
  125208.7970  0.0019 -5.2202 3  153.2323 49  72503 303241015      24 916        s-trans-Propenoic acid
  125361.0086  0.0025 -5.2741 3  165.6669 57  72503 30328 623      28 524        s-trans-Propenoic acid
  125460.8223  0.0025 -5.8035 3  165.6635 57  72503 30328 623      28 424        s-trans-Propenoic acid
  125505.7322  0.0045 -6.4493 3  113.6223 39  72503 30319 713      19 514        s-trans-Propenoic acid
  125513.9857  0.0109 -6.1215 3  365.4885 89  72503 303441629      431726        s-trans-Propenoic acid
  125557.8315  0.0109 -6.1211 3  365.4885 89  72503 303441628      431727        s-trans-Propenoic acid
  125618.5770  0.0214 -6.0398 3  395.1068 97  72503 303481236      481237        s-trans-Propenoic acid
  125696.3193  0.0029 -5.1780 3  239.0762 71  72503 303351026      35 927        s-trans-Propenoic acid
  125764.6887  0.0026 -5.2301 3  184.4313 61  72503 30330 724      30 625        s-trans-Propenoic acid
  125865.9502  0.0410 -6.5312 3  596.1123115  72503 303572335      562432        s-trans-Propenoic acid
  125865.9644  0.0410 -6.5312 3  596.1123115  72503 303572334      562433        s-trans-Propenoic acid
  125998.4841  0.0019 -5.2313 3  147.0386 47  72503 303231013      23 914        s-trans-Propenoic acid
  126025.2908  0.0033 -5.9445 3  208.4034 65  72503 30332 924      311021        s-trans-Propenoic acid
  126027.7308  0.0095 -5.2376 3  324.8929 85  72503 303421329      421230        s-trans-Propenoic acid
  126098.1236  0.0100 -6.7356 3  291.8617 81  72503 303401030      391227        s-trans-Propenoic acid
  126130.3443  0.0028 -5.2015 3  204.4727 65  72503 30332 825      32 726        s-trans-Propenoic acid
  126146.1623  0.0026 -5.7918 3  184.4186 61  72503 30330 724      30 525        s-trans-Propenoic acid
  126179.0176  0.0031 -5.9111 3  221.0125 67  72503 303331024      321121        s-trans-Propenoic acid
  126242.0426  0.0018 -5.2297 3  147.0298 47  72503 303231014      23 915        s-trans-Propenoic acid
  126338.9067  0.0898 -6.9945 3  843.0695137  72503 303682940      673037        s-trans-Propenoic acid
  126338.9068  0.0898 -6.9945 3  843.0695137  72503 303682939      673038        s-trans-Propenoic acid
  126421.7828  0.0054 -5.1920 3  267.2952 75  72503 303371225      371126        s-trans-Propenoic acid
  126529.8037  0.0036 -5.7996 3  212.7079 67  72503 30333 726      33 727        s-trans-Propenoic acid
  126589.8811  0.0082 -6.7257 3  288.1234 81  72503 30340 931      391128        s-trans-Propenoic acid
  126717.2808  0.0137 -6.1636 3  396.1151 93  72503 303461730      451827        s-trans-Propenoic acid
  126725.5635  0.0042 -5.8929 3  212.6524 65  72503 303321022      311121        s-trans-Propenoic acid
  126733.5208  0.0138 -6.1635 3  396.1150 93  72503 303461729      451828        s-trans-Propenoic acid
  126736.2603  0.0021 -5.4963 3   84.1998 29  72503 30314 411      13 310        s-trans-Propenoic acid
  126854.2114  0.0034 -5.8991 3  208.3757 65  72503 30332 924      32 725        s-trans-Propenoic acid
  126889.9573  0.4724 -7.0376 3  976.6683159  72503 303792158      792159        s-trans-Propenoic acid
  126898.5763  0.0060 -6.6397 3  267.2952 77  72503 30338 929      371126        s-trans-Propenoic acid
  127022.7774  0.0035 -6.9986 3   81.8644 25  72503 30312 6 7      12 4 8        s-trans-Propenoic acid
  127051.3303  0.0018 -5.2430 3  141.1037 45  72503 303221012      22 913        s-trans-Propenoic acid
  127072.6863  0.1439 -6.5007 3  679.4336131  72503 303651748      651749        s-trans-Propenoic acid
  127100.9106  0.0029 -5.1820 3  225.7810 69  72503 30334 926      34 827        s-trans-Propenoic acid
  127164.2770  0.0018 -5.2422 3  141.0997 45  72503 303221013      22 914        s-trans-Propenoic acid
  127171.4819  0.0014 -4.6186 3   96.2356 35  72503 30317 414      16 413        s-trans-Propenoic acid
  127259.1995  0.0034 -5.2083 3  212.6835 67  72503 30333 726      33 627        s-trans-Propenoic acid
  127284.4601  0.0028 -6.0114 3  122.2740 47  72503 30323 221      23 222        s-trans-Propenoic acid
  127284.6806  0.0028 -5.5675 3  122.2740 47  72503 30323 221      23 122        s-trans-Propenoic acid
  127292.0892  0.0028 -5.5674 3  122.2740 47  72503 30323 321      23 222        s-trans-Propenoic acid
  127292.3097  0.0028 -6.0114 3  122.2740 47  72503 30323 321      23 122        s-trans-Propenoic acid
  127382.6395  0.0476 -6.5938 3  636.5093119  72503 303592436      582533        s-trans-Propenoic acid
  127382.6443  0.0476 -6.5938 3  636.5093119  72503 303592435      582534        s-trans-Propenoic acid
  127388.2391  0.0027 -5.7988 3  204.4307 65  72503 30332 825      32 626        s-trans-Propenoic acid
  127447.2856  0.0370 -5.4619 3  525.0989113  72503 303561640      561541        s-trans-Propenoic acid
  127536.6805  0.0060 -6.1299 3  234.8221 71  72503 30335 927      341024        s-trans-Propenoic acid
  127544.4852  0.0014 -5.1352 3   97.8344 37  72503 30318 216      17 315        s-trans-Propenoic acid
  127674.2897  0.0015 -4.9269 3   99.4219 41  72503 30320 020      19 119        s-trans-Propenoic acid
  127674.3207  0.0015 -4.5249 3   99.4219 41  72503 30320 120      19 119        s-trans-Propenoic acid
  127674.3580  0.0015 -4.5249 3   99.4219 41  72503 30320 020      19 019        s-trans-Propenoic acid
  127674.3890  0.0015 -4.9269 3   99.4219 41  72503 30320 120      19 019        s-trans-Propenoic acid
  127691.8980  0.0015 -5.0160 3   98.9005 39  72503 30319 118      18 217        s-trans-Propenoic acid
  127696.1599  0.0015 -4.5548 3   98.9005 39  72503 30319 218      18 217        s-trans-Propenoic acid
  127700.6654  0.0015 -4.5548 3   98.9002 39  72503 30319 118      18 117        s-trans-Propenoic acid
  127704.9272  0.0015 -5.0159 3   98.9002 39  72503 30319 218      18 117        s-trans-Propenoic acid
  127759.4677  0.0014 -4.5843 3   97.8344 37  72503 30318 316      17 315        s-trans-Propenoic acid
  127802.2031  0.2696 -6.7477 3  820.8700145  72503 303721953      721954        s-trans-Propenoic acid
  127911.6511  0.0030 -5.8577 3  216.9285 67  72503 30333 925      33 726        s-trans-Propenoic acid
  127922.9563  0.0019 -5.2584 3  135.4420 43  72503 303211011      21 912        s-trans-Propenoic acid
  127929.0488  0.0039 -5.9434 3  199.9971 63  72503 30331 923      31 724        s-trans-Propenoic acid
  127945.9469  0.0014 -4.5830 3   97.8210 37  72503 30318 216      17 215        s-trans-Propenoic acid
  127972.7608  0.0018 -5.2581 3  135.4403 43  72503 303211012      21 913        s-trans-Propenoic acid
  127981.8910  0.0171 -6.2089 3  428.2121 97  72503 303481831      471928        s-trans-Propenoic acid
  127987.8076  0.0171 -6.2089 3  428.2121 97  72503 303481830      471929        s-trans-Propenoic acid
  128036.5310  0.0031 -5.1641 3  208.4034 63  72503 303311120      311021        s-trans-Propenoic acid
  128108.5241  0.0027 -6.6433 3   82.7662 27  72503 30313 5 8      13 211        s-trans-Propenoic acid
  128160.9294  0.0014 -5.1308 3   97.8210 37  72503 30318 316      17 215        s-trans-Propenoic acid
  128493.5116  0.0016 -4.6443 3   94.6932 33  72503 30316 511      15 510        s-trans-Propenoic acid
  128542.3431  0.0022 -5.6353 3  151.5035 35  72503 3031716 1      1616 0        s-trans-Propenoic acid
  128542.3431  0.0022 -5.6353 3  151.5035 35  72503 3031716 2      1616 1        s-trans-Propenoic acid
  128625.8751  0.0019 -5.3321 3  144.3374 35  72503 3031715 2      1615 1        s-trans-Propenoic acid
  128625.8751  0.0019 -5.3321 3  144.3374 35  72503 3031715 3      1615 2        s-trans-Propenoic acid
  128651.4113  0.0019 -5.2777 3  130.0507 41  72503 303201010      20 911        s-trans-Propenoic acid
  128672.2153  0.0019 -5.2776 3  130.0499 41  72503 303201011      20 912        s-trans-Propenoic acid
  128696.8127  0.0021 -5.4275 3   87.9240 31  72503 30315 412      14 311        s-trans-Propenoic acid
  128726.5323  0.0017 -5.1552 3  137.6361 35  72503 3031714 3      1614 2        s-trans-Propenoic acid
  128726.5323  0.0017 -5.1552 3  137.6361 35  72503 3031714 4      1614 3        s-trans-Propenoic acid
  128850.0387  0.0015 -5.0307 3  131.4006 35  72503 3031713 4      1613 3        s-trans-Propenoic acid
  128850.0387  0.0015 -5.0307 3  131.4006 35  72503 3031713 5      1613 4        s-trans-Propenoic acid
  128915.3365  0.0548 -6.6598 3  678.3711123  72503 303612537      602634        s-trans-Propenoic acid
  128915.3382  0.0548 -6.6598 3  678.3711123  72503 303612536      602635        s-trans-Propenoic acid
  129004.7192  0.0014 -4.9354 3  125.6318 35  72503 3031712 5      1612 4        s-trans-Propenoic acid
  129004.7192  0.0014 -4.9354 3  125.6318 35  72503 3031712 6      1612 5        s-trans-Propenoic acid
  129081.4896  0.0019 -5.6762 3   71.4647 21  72503 30310 4 6       9 3 7        s-trans-Propenoic acid
  129123.3393  0.0292 -5.5990 3  626.8011125  72503 303621745      621646        s-trans-Propenoic acid
  129150.8027  0.0404 -5.5735 3  609.8798123  72503 303611744      611645        s-trans-Propenoic acid
  129203.1155  0.0013 -4.8591 3  120.3312 35  72503 3031711 7      1611 6        s-trans-Propenoic acid
  129203.1161  0.0013 -4.8591 3  120.3312 35  72503 3031711 6      1611 5        s-trans-Propenoic acid
  129203.8299  0.0022 -5.3931 3   69.0834 15  72503 303 7 6 2       6 5 1        s-trans-Propenoic acid
  129204.6365  0.0022 -5.3931 3   69.0833 15  72503 303 7 6 1       6 5 2        s-trans-Propenoic acid
  129254.1206  0.0138 -5.9525 3  353.1747 91  72503 303451134      451135        s-trans-Propenoic acid
  129263.0172  0.0020 -5.3013 3  124.9273 39  72503 3031910 9      19 910        s-trans-Propenoic acid
  129271.2086  0.0020 -5.3012 3  124.9270 39  72503 303191010      19 911        s-trans-Propenoic acid
  129295.5031  0.0035 -5.9067 3  243.2811 71  72503 303351125      341222        s-trans-Propenoic acid
  129298.8907  0.0209 -6.2576 3  461.7787101  72503 303501932      492029        s-trans-Propenoic acid
  129301.0157  0.0209 -6.2576 3  461.7787101  72503 303501931      492030        s-trans-Propenoic acid
  129311.2504  0.0265 -5.3532 3  447.4101103  72503 303511536      511437        s-trans-Propenoic acid
  129324.8701  0.0065 -6.6468 3  277.5406 79  72503 30339 930      381127        s-trans-Propenoic acid
  129378.5107  0.0038 -5.9673 3  216.8795 67  72503 30333 925      321022        s-trans-Propenoic acid
  129406.8190  0.0026 -5.8789 3  137.7416 51  72503 30325 322      25 323        s-trans-Propenoic acid
  129408.6867  0.0026 -5.4106 3  137.7415 51  72503 30325 322      25 223        s-trans-Propenoic acid
  129448.9715  0.0026 -5.4103 3  137.7416 51  72503 30325 422      25 323        s-trans-Propenoic acid
  129450.8392  0.0026 -5.8787 3  137.7415 51  72503 30325 422      25 223        s-trans-Propenoic acid
  129464.9747  0.0012 -4.7962 3  115.5014 35  72503 3031710 8      1610 7        s-trans-Propenoic acid
  129464.9993  0.0012 -4.7962 3  115.5014 35  72503 3031710 7      1610 6        s-trans-Propenoic acid
  129466.4665  0.0031 -5.1658 3  248.3552 73  72503 303361027      36 928        s-trans-Propenoic acid
  129560.5400  0.0044 -5.8064 3  243.7262 73  72503 30336 828      36 829        s-trans-Propenoic acid
  129657.2557  0.0030 -5.1523 3  243.2690 71  72503 303351125      351026        s-trans-Propenoic acid
  129713.9733  0.0029 -5.1494 3  234.1158 69  72503 303341124      341025        s-trans-Propenoic acid
  129716.1596  0.0051 -5.7800 3  149.5770 51  72503 30325 718      24 817        s-trans-Propenoic acid
  129770.6564  0.0015 -4.5978 3   95.9985 35  72503 30317 314      16 313        s-trans-Propenoic acid
  129776.7967  0.0021 -5.3296 3  120.0698 37  72503 3031810 8      18 9 9        s-trans-Propenoic acid
  129779.8176  0.0021 -5.3296 3  120.0697 37  72503 3031810 9      18 910        s-trans-Propenoic acid
  129823.0214  0.0012 -4.7431 3  111.1462 35  72503 30317 9 9      16 9 8        s-trans-Propenoic acid
  129823.7550  0.0012 -4.7431 3  111.1462 35  72503 30317 9 8      16 9 7        s-trans-Propenoic acid
  129905.1041  0.0020 -5.4805 3   70.8431 19  72503 303 9 5 5       8 4 4        s-trans-Propenoic acid
  129923.3123  0.0015 -4.6156 3   93.2222 33  72503 30316 412      15 411        s-trans-Propenoic acid
  130032.2340  0.0048 -6.0281 3  225.6832 69  72503 30334 926      331023        s-trans-Propenoic acid
  130140.2745  0.0029 -5.7679 3  192.0329 63  72503 30331 625      31 626        s-trans-Propenoic acid
  130142.7666  0.0160 -6.7996 3  329.0967 87  72503 303431132      421329        s-trans-Propenoic acid
  130207.2471  0.0022 -5.3636 3  115.4767 35  72503 3031710 7      17 9 8        s-trans-Propenoic acid
  130208.2821  0.0022 -5.3635 3  115.4766 35  72503 3031710 8      17 9 9        s-trans-Propenoic acid
  130275.8037  0.0031 -5.1535 3  252.6737 73  72503 303361126      361027        s-trans-Propenoic acid
  130307.3865  0.0028 -5.1453 3  225.2213 67  72503 303331123      331024        s-trans-Propenoic acid
  130331.0369  0.0013 -4.6976 3  107.2722 35  72503 30317 810      16 8 9        s-trans-Propenoic acid
  130346.4570  0.0013 -4.6975 3  107.2725 35  72503 30317 8 9      16 8 8        s-trans-Propenoic acid
  130352.4127  0.0029 -5.2144 3  192.0258 63  72503 30331 625      31 526        s-trans-Propenoic acid
  130462.1811  0.0628 -6.7292 3  721.6969127  72503 303632638      622735        s-trans-Propenoic acid
  130462.1816  0.0628 -6.7292 3  721.6969127  72503 303632637      622736        s-trans-Propenoic acid
  130463.3734  0.0020 -5.4780 3   70.8266 19  72503 303 9 5 4       8 4 5        s-trans-Propenoic acid
  130566.0028  0.0023 -5.4043 3  111.1462 33  72503 3031610 6      16 9 7        s-trans-Propenoic acid
  130566.3289  0.0023 -5.4043 3  111.1462 33  72503 3031610 7      16 9 8        s-trans-Propenoic acid
  130659.8593  0.0252 -6.3094 3  496.8143105  72503 303522033      512130        s-trans-Propenoic acid
  130660.6130  0.0252 -6.3094 3  496.8143105  72503 303522032      512131        s-trans-Propenoic acid
  130732.0118  0.0398 -7.0110 3  411.8538 99  72503 303491336      481533        s-trans-Propenoic acid
  130734.1515  0.0029 -5.8188 3  225.6598 69  72503 30334 926      34 727        s-trans-Propenoic acid
  130761.1726  0.0014 -4.6096 3   98.5350 35  72503 30317 513      16 512        s-trans-Propenoic acid
  130794.0109  0.0031 -6.2420 3  112.8213 45  72503 30322 121      22 122        s-trans-Propenoic acid
  130794.0172  0.0031 -5.8228 3  112.8213 45  72503 30322 121      22 022        s-trans-Propenoic acid
  130794.4778  0.0031 -5.8228 3  112.8213 45  72503 30322 221      22 122        s-trans-Propenoic acid
  130794.4841  0.0031 -6.2420 3  112.8213 45  72503 30322 221      22 022        s-trans-Propenoic acid
  130801.1520  0.0026 -5.8057 3  154.5344 55  72503 30327 423      27 424        s-trans-Propenoic acid
  130812.3708  0.0026 -5.3115 3  154.5340 55  72503 30327 423      27 324        s-trans-Propenoic acid
  130862.8046  0.0024 -5.4539 3  107.0771 31  72503 3031510 5      15 9 6        s-trans-Propenoic acid
  130862.8978  0.0024 -5.4539 3  107.0771 31  72503 3031510 6      15 9 7        s-trans-Propenoic acid
  130872.8276  0.0041 -5.1878 3  243.6824 73  72503 30336 828      36 729        s-trans-Propenoic acid
  130978.2944  0.0015 -5.2543 3  100.4776 37  72503 30318 315      17 414        s-trans-Propenoic acid
  130985.7165  0.0025 -5.3104 3  154.5344 55  72503 30327 523      27 424        s-trans-Propenoic acid
  130996.9353  0.0025 -5.8045 3  154.5340 55  72503 30327 523      27 324        s-trans-Propenoic acid
  131030.1874  0.0013 -4.6580 3  103.8899 35  72503 30317 711      16 710        s-trans-Propenoic acid
  131076.2524  0.0042 -5.9226 3  267.0368 75  72503 303371226      361323        s-trans-Propenoic acid
  131076.5081  0.0089 -5.8838 3  313.9645 85  72503 303421032      421033        s-trans-Propenoic acid
  131106.0604  0.0026 -5.5153 3  103.2681 29  72503 3031410 4      14 9 5        s-trans-Propenoic acid
  131106.0841  0.0026 -5.5153 3  103.2681 29  72503 3031410 5      14 9 6        s-trans-Propenoic acid
  131128.3491  0.0020 -5.3528 3   91.8616 33  72503 30316 413      15 312        s-trans-Propenoic acid
  131135.6081  0.0060 -5.8348 3  277.4802 79  72503 30339 930      39 931        s-trans-Propenoic acid
  131220.8893  0.0026 -5.7707 3  172.6367 59  72503 30329 524      29 525        s-trans-Propenoic acid
  131249.1717  0.0014 -4.6565 3  103.8955 35  72503 30317 710      16 7 9        s-trans-Propenoic acid
  131270.5935  0.0027 -5.1491 3  200.2435 61  72503 303301119      301020        s-trans-Propenoic acid
  131274.2117  0.0026 -5.2486 3  172.6349 59  72503 30329 524      29 425        s-trans-Propenoic acid
  131288.8807  0.0027 -5.1408 3  216.5918 65  72503 303321122      321023        s-trans-Propenoic acid
  131292.8402  0.0153 -6.8546 3  348.6006 91  72503 303451035      441232        s-trans-Propenoic acid
  131303.1732  0.0027 -5.5937 3   99.7179 27  72503 3031310 3      13 9 4        s-trans-Propenoic acid
  131303.1784  0.0027 -5.5937 3   99.7179 27  72503 3031310 4      13 9 5        s-trans-Propenoic acid
  131355.0479  0.0046 -5.9911 3  191.7927 61  72503 30330 922      30 723        s-trans-Propenoic acid
  131459.8392  0.0311 -5.4642 3  536.3181115  72503 303571542      571443        s-trans-Propenoic acid
  131460.7398  0.0028 -5.6992 3   96.4257 25  72503 3031210 2      12 9 3        s-trans-Propenoic acid
  131460.7408  0.0028 -5.6992 3   96.4257 25  72503 3031210 3      12 9 4        s-trans-Propenoic acid
  131515.3951  0.0879 -6.9719 3  556.5428119  72503 303591446      581543        s-trans-Propenoic acid
  131583.9285  0.0332 -5.5356 3  588.7939121  72503 303601644      601545        s-trans-Propenoic acid
  131584.6770  0.0029 -5.8545 3   93.3904 23  72503 3031110 1      11 9 2        s-trans-Propenoic acid
  131584.6772  0.0029 -5.8545 3   93.3904 23  72503 3031110 2      11 9 3        s-trans-Propenoic acid
  131598.7757  0.0256 -6.8939 3  369.0946 93  72503 303461234      451431        s-trans-Propenoic acid
  131611.2446  0.0014 -4.6256 3  101.0025 35  72503 30317 612      16 611        s-trans-Propenoic acid
  131680.3064  0.0031 -6.1330 3   90.6110 21  72503 3031010 0      10 9 1        s-trans-Propenoic acid
  131680.3064  0.0031 -6.1330 3   90.6110 21  72503 3031010 1      10 9 2        s-trans-Propenoic acid
  131681.4687  0.0032 -5.1524 3  262.3221 75  72503 303371127      371028        s-trans-Propenoic acid
  131896.7298  0.0025 -5.2447 3  172.6367 59  72503 30329 624      29 525        s-trans-Propenoic acid
  131899.9684  0.0051 -6.2112 3  145.1773 49  72503 30324 817      24 618        s-trans-Propenoic acid
  131915.2161  0.0489 -6.1680 3  501.4665111  72503 303551441      551442        s-trans-Propenoic acid
  131950.0521  0.0025 -5.7663 3  172.6349 59  72503 30329 624      29 425        s-trans-Propenoic acid
  131988.7277  0.0049 -5.8309 3  192.3349 61  72503 30330 921      291020        s-trans-Propenoic acid
  132021.6466  0.0716 -6.8019 3  766.4857131  72503 303652739      642836        s-trans-Propenoic acid
  132021.6468  0.0716 -6.8019 3  766.4857131  72503 303652738      642837        s-trans-Propenoic acid
  132057.6956  0.0301 -6.3646 3  533.3178109  72503 303542134      532231        s-trans-Propenoic acid
  132057.9600  0.0301 -6.3646 3  533.3178109  72503 303542133      532232        s-trans-Propenoic acid
  132109.5212  0.0030 -6.9246 3   86.3082 29  72503 30314 5 9      14 312        s-trans-Propenoic acid
  132151.9527  0.0156 -5.2583 3  376.8779 93  72503 303461432      461333        s-trans-Propenoic acid
  132256.0880  0.0053 -5.9495 3  292.2729 79  72503 303391327      381424        s-trans-Propenoic acid
  132259.7099  0.0266 -5.3960 3  486.4894109  72503 303541440      541341        s-trans-Propenoic acid
  132269.7096  0.0026 -5.2024 3  192.0329 63  72503 30331 725      31 626        s-trans-Propenoic acid
  132362.0277  0.0046 -5.1550 3  257.3906 73  72503 303361224      361125        s-trans-Propenoic acid
  132370.6264  0.0028 -5.1765 3  212.7079 67  72503 30333 826      33 727        s-trans-Propenoic acid
  132388.7881  0.0331 -6.6590 3  416.2145101  72503 303501239      491336        s-trans-Propenoic acid
  132481.8479  0.0026 -5.7538 3  192.0258 63  72503 30331 725      31 526        s-trans-Propenoic acid
  132516.0081  0.0026 -5.1366 3  208.2322 63  72503 303311121      311022        s-trans-Propenoic acid
  132710.2406  0.0030 -5.1615 3  234.6495 71  72503 30335 927      35 828        s-trans-Propenoic acid
  132925.7385  0.0525 -5.5328 3  593.1830121  72503 303601743      601644        s-trans-Propenoic acid
  133100.0223  0.0028 -5.7608 3  212.6835 67  72503 30333 826      33 627        s-trans-Propenoic acid
  133123.1000  0.0334 -5.6083 3  643.9118127  72503 303631746      631647        s-trans-Propenoic acid
  133164.1776  0.0024 -5.4119 3  107.5001 39  72503 30319 415      18 514        s-trans-Propenoic acid
  133194.5028  0.0045 -6.5225 3  108.4571 37  72503 30318 712      18 513        s-trans-Propenoic acid
  133233.0815  0.0068 -5.9829 3  318.9855 83  72503 303411428      401525        s-trans-Propenoic acid
  133382.2081  0.0054 -5.1868 3  277.4053 79  72503 30339 930      39 831        s-trans-Propenoic acid
  133457.3435  0.0209 -5.3333 3  439.3161103  72503 303511338      511239        s-trans-Propenoic acid
  133478.1463  0.0015 -4.6132 3  101.0706 35  72503 30317 611      16 610        s-trans-Propenoic acid
  133486.6465  0.0356 -6.4231 3  571.2886113  72503 303562235      552332        s-trans-Propenoic acid
  133486.7384  0.0356 -6.4231 3  571.2886113  72503 303562234      552333        s-trans-Propenoic acid
  133571.1311  0.0029 -5.9782 3  127.5715 49  72503 30324 222      24 223        s-trans-Propenoic acid
  133571.2347  0.0029 -5.5367 3  127.5715 49  72503 30324 222      24 123        s-trans-Propenoic acid
  133574.9212  0.0029 -5.5366 3  127.5715 49  72503 30324 322      24 223        s-trans-Propenoic acid
  133575.0248  0.0029 -5.9782 3  127.5715 49  72503 30324 322      24 123        s-trans-Propenoic acid
  133592.4708  0.0811 -6.8779 3  812.7366135  72503 303672840      662937        s-trans-Propenoic acid
  133592.4709  0.0811 -6.8779 3  812.7366135  72503 303672839      662938        s-trans-Propenoic acid
  133632.9461  0.0082 -5.1888 3  313.5381 83  72503 303411328      411229        s-trans-Propenoic acid
  133653.7379  0.0056 -5.9399 3  292.2704 79  72503 303391326      381425        s-trans-Propenoic acid
  133719.2925  0.0014 -4.5575 3  100.4776 37  72503 30318 415      17 414        s-trans-Propenoic acid
  133799.0618  0.0025 -5.1401 3  192.3884 59  72503 303291118      291019        s-trans-Propenoic acid
  133803.7632  0.0070 -5.9790 3  318.9846 83  72503 303411427      401526        s-trans-Propenoic acid
  133865.2332  0.0025 -5.1332 3  200.1458 61  72503 303301120      301021        s-trans-Propenoic acid
  133885.2231  0.0015 -5.0647 3  102.0960 39  72503 30319 217      18 316        s-trans-Propenoic acid
  133900.7371  0.0015 -4.8720 3  103.6807 43  72503 30321 021      20 120        s-trans-Propenoic acid
  133900.7510  0.0015 -4.4713 3  103.6807 43  72503 30321 121      20 120        s-trans-Propenoic acid
  133900.7680  0.0015 -4.4713 3  103.6807 43  72503 30321 021      20 020        s-trans-Propenoic acid
  133900.7820  0.0015 -4.8720 3  103.6807 43  72503 30321 121      20 020        s-trans-Propenoic acid
  133918.0177  0.0015 -4.9558 3  103.1600 41  72503 30320 119      19 218        s-trans-Propenoic acid
  133920.0720  0.0015 -4.4997 3  103.1600 41  72503 30320 219      19 218        s-trans-Propenoic acid
  133922.2796  0.0015 -4.4997 3  103.1599 41  72503 30320 119      19 118        s-trans-Propenoic acid
  133924.3338  0.0015 -4.9558 3  103.1599 41  72503 30320 219      19 118        s-trans-Propenoic acid
  133945.4929  0.0033 -5.1488 3  272.2063 77  72503 303381128      381029        s-trans-Propenoic acid
  133998.3871  0.0015 -4.5275 3  102.0960 39  72503 30319 317      18 316        s-trans-Propenoic acid
  134019.2002  0.0032 -5.1518 3  257.8517 75  72503 303371028      37 929        s-trans-Propenoic acid
  134074.6409  0.0033 -5.8721 3  229.6436 69  72503 303341025      331122        s-trans-Propenoic acid
  134100.2057  0.0015 -4.5268 3  102.0888 39  72503 30319 217      18 216        s-trans-Propenoic acid
  134194.0446  0.0088 -6.0208 3  347.1725 87  72503 303431529      421626        s-trans-Propenoic acid
  134213.3697  0.0015 -5.0625 3  102.0888 39  72503 30319 317      18 216        s-trans-Propenoic acid
  134279.6943  0.0018 -5.2762 3   95.9985 35  72503 30317 414      16 313        s-trans-Propenoic acid
  134362.4911  0.0048 -5.8995 3  267.0303 75  72503 303371225      361324        s-trans-Propenoic acid
  134379.7051  0.0030 -6.5783 3   86.2325 29  72503 30314 5 9      14 212        s-trans-Propenoic acid
  134419.7535  0.0089 -6.0193 3  347.1722 87  72503 303431528      421627        s-trans-Propenoic acid
  134545.1997  0.0154 -5.2786 3  394.8090 97  72503 303481236      481137        s-trans-Propenoic acid
  134599.0730  0.0407 -5.4093 3  509.7665111  72503 303551639      551540        s-trans-Propenoic acid
  134764.1853  0.0075 -5.2030 3  313.8415 85  72503 303421032      42 933        s-trans-Propenoic acid
  134916.1348  0.0029 -5.7820 3  234.5759 71  72503 30335 927      35 728        s-trans-Propenoic acid
  134919.1275  0.0025 -6.9140 3   66.3427 17  72503 303 8 4 4       7 2 5        s-trans-Propenoic acid
  134942.1049  0.0417 -6.4848 3  610.7258117  72503 303582336      572433        s-trans-Propenoic acid
  134942.1366  0.0417 -6.4848 3  610.7258117  72503 303582335      572434        s-trans-Propenoic acid
  135088.1214  0.0108 -5.2344 3  352.9801 91  72503 303451134      451035        s-trans-Propenoic acid
  135173.6035  0.0915 -6.9573 3  860.4488139  72503 303692940      683039        s-trans-Propenoic acid
  135173.6035  0.0915 -6.9573 3  860.4488139  72503 303692941      683038        s-trans-Propenoic acid
  135211.7908  0.0113 -6.0623 3  376.8324 91  72503 303451630      441727        s-trans-Propenoic acid
  135217.1160  0.0033 -5.7487 3  221.1495 69  72503 30334 727      34 728        s-trans-Propenoic acid
  135239.3511  0.0024 -5.1313 3  192.3349 59  72503 303291119      291020        s-trans-Propenoic acid
  135298.7796  0.0113 -6.0617 3  376.8323 91  72503 303451629      441728        s-trans-Propenoic acid
  135470.6542  0.0528 -5.6568 3  683.6723131  72503 303651847      651748        s-trans-Propenoic acid
  135487.3323  0.0015 -4.5445 3  100.3272 37  72503 30318 315      17 314        s-trans-Propenoic acid
  135588.3381  0.0046 -5.6541 3  134.1406 47  72503 30323 617      22 716        s-trans-Propenoic acid
  135633.3119  0.0032 -5.1720 3  221.1356 69  72503 30334 727      34 628        s-trans-Propenoic acid
  135781.9654  0.0027 -5.8459 3  143.6635 53  72503 30326 323      26 324        s-trans-Propenoic acid
  135782.8790  0.0027 -5.3812 3  143.6635 53  72503 30326 323      26 224        s-trans-Propenoic acid
  135787.9856  0.0098 -6.2447 3  288.1234 81  72503 303401031      391128        s-trans-Propenoic acid
  135801.6859  0.0023 -5.1359 3  184.8283 57  72503 303281117      281018        s-trans-Propenoic acid
  135803.8217  0.0027 -5.3811 3  143.6635 53  72503 30326 423      26 324        s-trans-Propenoic acid
  135804.7354  0.0027 -5.8457 3  143.6635 53  72503 30326 423      26 224        s-trans-Propenoic acid
  136091.0999  0.0026 -5.6100 3  163.4194 37  72503 3031817 1      1717 0        s-trans-Propenoic acid
  136091.0999  0.0026 -5.6100 3  163.4194 37  72503 3031817 2      1717 1        s-trans-Propenoic acid
  136174.0045  0.0023 -5.3052 3  155.7912 37  72503 3031816 2      1716 1        s-trans-Propenoic acid
  136174.0045  0.0023 -5.3052 3  155.7912 37  72503 3031816 3      1716 2        s-trans-Propenoic acid
  136186.9537  0.0026 -6.1187 3   69.9422 21  72503 30310 3 7       9 2 8        s-trans-Propenoic acid
  136223.1000  0.0030 -6.9776 3   81.5599 25  72503 30312 6 6      12 4 9        s-trans-Propenoic acid
  136253.5394  0.1035 -6.3461 3  622.2561125  72503 303621646      621647        s-trans-Propenoic acid
  136272.5096  0.0020 -5.1265 3  148.6279 37  72503 3031815 3      1715 2        s-trans-Propenoic acid
  136272.5096  0.0020 -5.1265 3  148.6279 37  72503 3031815 4      1715 3        s-trans-Propenoic acid
  136305.6711  0.0142 -6.1070 3  407.9640 95  72503 303471731      461828        s-trans-Propenoic acid
  136338.4812  0.0142 -6.1068 3  407.9640 95  72503 303471730      461829        s-trans-Propenoic acid
  136391.4500  0.0018 -5.0002 3  141.9300 37  72503 3031814 4      1714 3        s-trans-Propenoic acid
  136391.4500  0.0018 -5.0002 3  141.9300 37  72503 3031814 5      1714 4        s-trans-Propenoic acid
  136420.3786  0.0485 -6.5498 3  651.6285121  72503 303602437      592534        s-trans-Propenoic acid
  136420.3894  0.0485 -6.5498 3  651.6285121  72503 303602436      592535        s-trans-Propenoic acid
  136489.2204  0.0398 -5.6809 3  701.6713133  72503 303661848      661749        s-trans-Propenoic acid
  136537.6730  0.0016 -4.9032 3  135.6986 37  72503 3031813 5      1713 4        s-trans-Propenoic acid
  136537.6730  0.0016 -4.9032 3  135.6986 37  72503 3031813 6      1713 5        s-trans-Propenoic acid
  136569.3258  0.0022 -5.1313 3  184.8001 57  72503 303281118      281019        s-trans-Propenoic acid
  136610.2917  0.0046 -5.8537 3  243.2644 71  72503 303351124      341223        s-trans-Propenoic acid
  136721.1699  0.0014 -4.8251 3  129.9349 37  72503 3031812 7      1712 6        s-trans-Propenoic acid
  136721.1700  0.0014 -4.8251 3  129.9349 37  72503 3031812 6      1712 5        s-trans-Propenoic acid
  136741.3245  0.0022 -5.3484 3   70.8559 17  72503 303 8 6 3       7 5 2        s-trans-Propenoic acid
  136746.1753  0.0022 -5.3484 3   70.8558 17  72503 303 8 6 2       7 5 3        s-trans-Propenoic acid
  136746.5153  0.0029 -6.8728 3   84.8728 27  72503 30313 6 7      13 410        s-trans-Propenoic acid
  136771.0984  0.0020 -5.4430 3   73.1655 21  72503 30310 5 6       9 4 5        s-trans-Propenoic acid
  136957.0656  0.0013 -4.7604 3  124.6410 37  72503 3031811 8      1711 7        s-trans-Propenoic acid
  136957.0680  0.0013 -4.7604 3  124.6410 37  72503 3031811 7      1711 6        s-trans-Propenoic acid
  137032.8504  0.0032 -6.2107 3  117.7031 47  72503 30323 122      23 123        s-trans-Propenoic acid
  137032.8532  0.0032 -5.7925 3  117.7031 47  72503 30323 122      23 023        s-trans-Propenoic acid
  137033.0709  0.0032 -5.7925 3  117.7031 47  72503 30323 222      23 123        s-trans-Propenoic acid
  137033.0737  0.0032 -6.2107 3  117.7031 47  72503 30323 222      23 023        s-trans-Propenoic acid
  137090.0423  0.0034 -5.1428 3  282.3187 79  72503 303391129      391030        s-trans-Propenoic acid
  137097.1877  0.0053 -6.0414 3  183.7705 59  72503 30329 921      29 722        s-trans-Propenoic acid
  137126.8410  0.0177 -6.4291 3  348.6006 91  72503 303451135      441232        s-trans-Propenoic acid
  137204.7656  0.0040 -5.1259 3  247.8212 71  72503 303351223      351124        s-trans-Propenoic acid
  137236.7832  0.0015 -4.5504 3   97.5560 35  72503 30317 413      16 412        s-trans-Propenoic acid
  137269.3399  0.0013 -4.7056 3  119.8199 37  72503 3031810 9      1710 8        s-trans-Propenoic acid
  137269.4218  0.0013 -4.7056 3  119.8199 37  72503 3031810 8      1710 7        s-trans-Propenoic acid
  137338.2573  0.0026 -5.7720 3  161.0824 57  72503 30328 424      28 425        s-trans-Propenoic acid
  137343.9636  0.0026 -5.2830 3  161.0822 57  72503 30328 424      28 325        s-trans-Propenoic acid
  137392.6808  0.0036 -5.5191 3  120.1250 43  72503 30321 516      20 615        s-trans-Propenoic acid
  137418.6537  0.0022 -5.1358 3  177.5555 55  72503 303271116      271017        s-trans-Propenoic acid
  137438.0710  0.0026 -5.2825 3  161.0824 57  72503 30328 524      28 425        s-trans-Propenoic acid
  137443.7773  0.0025 -5.7714 3  161.0822 57  72503 30328 524      28 325        s-trans-Propenoic acid
  137473.5016  0.0176 -6.1550 3  440.5663 99  72503 303491832      481929        s-trans-Propenoic acid
  137485.6521  0.0176 -6.1550 3  440.5663 99  72503 303491831      481930        s-trans-Propenoic acid
  137505.2383  0.0086 -6.6215 3  302.5288 83  72503 303411031      401228        s-trans-Propenoic acid
  137544.3312  0.0323 -6.0537 3  453.2580105  72503 303521339      521340        s-trans-Propenoic acid
  137609.0092  0.0028 -5.7271 3  199.8406 65  72503 30332 626      32 627        s-trans-Propenoic acid
  137647.3879  0.0017 -4.5610 3   98.9793 35  72503 30317 512      16 511        s-trans-Propenoic acid
  137697.8045  0.0013 -4.6586 3  115.4766 37  72503 30318 910      17 9 9        s-trans-Propenoic acid
  137699.8722  0.0013 -4.6585 3  115.4767 37  72503 30318 9 9      17 9 8        s-trans-Propenoic acid
  137725.4320  0.0028 -5.1835 3  199.8367 65  72503 30332 626      32 527        s-trans-Propenoic acid
  137811.7136  0.0022 -5.1335 3  177.5412 55  72503 303271117      271018        s-trans-Propenoic acid
  137918.4904  0.0560 -6.6182 3  693.9958125  72503 303622538      612635        s-trans-Propenoic acid
  137918.4941  0.0560 -6.6182 3  693.9958125  72503 303622537      612636        s-trans-Propenoic acid
  137921.5138  0.0255 -5.2964 3  433.4943101  72503 303501535      501436        s-trans-Propenoic acid
  138006.7299  0.0014 -4.5437 3  102.8967 37  72503 30318 514      17 513        s-trans-Propenoic acid
  138067.8945  0.0026 -5.7349 3  179.8132 61  72503 30330 525      30 526        s-trans-Propenoic acid
  138096.0683  0.0026 -5.2200 3  179.8122 61  72503 30330 525      30 426        s-trans-Propenoic acid
  138129.4114  0.0028 -6.7867 3   88.4272 29  72503 30314 6 8      14 411        s-trans-Propenoic acid
  138185.6221  0.0020 -5.4376 3   73.1247 21  72503 30310 5 5       9 4 6        s-trans-Propenoic acid
  138228.3304  0.0017 -5.2010 3  100.3272 37  72503 30318 415      17 314        s-trans-Propenoic acid
  138303.2999  0.0013 -4.6174 3  111.6195 37  72503 30318 811      17 810        s-trans-Propenoic acid
  138340.3931  0.0013 -4.6172 3  111.6204 37  72503 30318 810      17 8 9        s-trans-Propenoic acid
  138442.0593  0.0714 -5.6171 3  665.8865129  72503 303641846      641747        s-trans-Propenoic acid
  138449.3681  0.0025 -5.2178 3  179.8132 61  72503 30330 625      30 526        s-trans-Propenoic acid
  138477.5419  0.0025 -5.7325 3  179.8122 61  72503 30330 625      30 426        s-trans-Propenoic acid
  138493.3725  0.0029 -6.7295 3   66.2877 19  72503 303 9 2 7       8 1 8        s-trans-Propenoic acid
  138541.1062  0.0015 -5.1590 3  104.9380 39  72503 30319 316      18 415        s-trans-Propenoic acid
  138545.1001  0.0037 -5.8536 3  252.3979 73  72503 303361126      351223        s-trans-Propenoic acid
  138678.9504  0.0038 -5.8476 3  248.0479 73  72503 303361027      36 828        s-trans-Propenoic acid
  138706.2614  0.0215 -6.2062 3  474.6385103  72503 303511933      502030        s-trans-Propenoic acid
  138708.7049  0.2025 -6.5703 3  757.4490139  72503 303691851      691852        s-trans-Propenoic acid
  138710.6907  0.0215 -6.2062 3  474.6385103  72503 303511932      502031        s-trans-Propenoic acid
  138750.2859  0.0021 -5.1392 3  170.5643 53  72503 303261115      261016        s-trans-Propenoic acid
  138773.0239  0.0031 -5.1411 3  243.7262 73  72503 30336 928      36 829        s-trans-Propenoic acid
  138850.3569  0.0028 -5.1528 3  221.1495 69  72503 30334 827      34 728        s-trans-Propenoic acid
  138866.9041  0.0026 -5.1767 3  199.8406 65  72503 30332 726      32 627        s-trans-Propenoic acid
  138943.5584  0.0021 -5.1380 3  170.5574 53  72503 303261116      261017        s-trans-Propenoic acid
  138983.3269  0.0026 -5.7192 3  199.8367 65  72503 30332 726      32 527        s-trans-Propenoic acid
  139012.9671  0.0025 -6.5477 3   69.8479 21  72503 30310 3 7       9 1 8        s-trans-Propenoic acid
  139086.4288  0.0014 -4.5813 3  108.2606 37  72503 30318 712      17 711        s-trans-Propenoic acid
  139256.1043  0.0033 -5.1366 3  267.5612 77  72503 303381029      38 930        s-trans-Propenoic acid
  139262.4570  0.0040 -5.7513 3  253.0094 75  72503 30337 829      37 830        s-trans-Propenoic acid
  139266.5528  0.0028 -5.7257 3  221.1356 69  72503 30334 827      34 628        s-trans-Propenoic acid
  139369.6963  0.3691 -6.8383 3  907.0173153  72503 303762056      762057        s-trans-Propenoic acid
  139434.0211  0.0642 -6.6898 3  737.8270129  72503 303642639      632736        s-trans-Propenoic acid
  139434.0223  0.0642 -6.6898 3  737.8270129  72503 303642638      632737        s-trans-Propenoic acid
  139481.1055  0.0054 -5.7429 3  173.4820 57  72503 30328 820      27 919        s-trans-Propenoic acid
  139499.5623  0.0014 -4.5533 3  105.3925 37  72503 30318 613      17 612        s-trans-Propenoic acid
  139532.8937  0.0014 -4.5785 3  108.2735 37  72503 30318 711      17 710        s-trans-Propenoic acid
  139611.3586  0.0045 -5.8846 3  238.6121 71  72503 303351026      35 827        s-trans-Propenoic acid
  139742.7772  0.0598 -5.4800 3  576.7484119  72503 303591742      591643        s-trans-Propenoic acid
  139849.6613  0.0030 -5.9477 3  133.0767 51  72503 30325 223      25 224        s-trans-Propenoic acid
  139849.7097  0.0030 -5.5083 3  133.0767 51  72503 30325 223      25 124        s-trans-Propenoic acid
  139851.5290  0.0030 -5.5082 3  133.0767 51  72503 30325 323      25 224        s-trans-Propenoic acid
  139851.5774  0.0030 -5.9477 3  133.0767 51  72503 30325 323      25 124        s-trans-Propenoic acid
  139865.4344  0.0021 -5.1458 3  163.8503 51  72503 303251114      251015        s-trans-Propenoic acid
  139913.7484  0.0024 -6.6929 3   68.4985 19  72503 303 9 4 5       8 2 6        s-trans-Propenoic acid
  139923.6722  0.0035 -5.8128 3  257.6547 75  72503 303371028      37 829        s-trans-Propenoic acid
  139956.5827  0.0021 -5.1452 3  163.8471 51  72503 303251115      251016        s-trans-Propenoic acid
  139994.0223  0.0259 -6.2606 3  510.1795107  72503 303532034      522131        s-trans-Propenoic acid
  139995.6148  0.0259 -6.2606 3  510.1795107  72503 303532033      522132        s-trans-Propenoic acid
  140029.6363  0.0039 -5.1506 3  252.9838 75  72503 30337 829      37 730        s-trans-Propenoic acid
  140085.3115  0.0030 -5.7474 3  243.6824 73  72503 30336 928      36 729        s-trans-Propenoic acid
  140127.0213  0.0016 -4.8205 3  108.1471 45  72503 30322 022      21 121        s-trans-Propenoic acid
  140127.0276  0.0016 -4.4209 3  108.1471 45  72503 30322 122      21 121        s-trans-Propenoic acid
  140127.0353  0.0016 -4.4209 3  108.1471 45  72503 30322 022      21 021        s-trans-Propenoic acid
  140127.0416  0.0016 -4.8205 3  108.1471 45  72503 30322 122      21 021        s-trans-Propenoic acid
  140142.9208  0.0015 -4.8998 3  107.6271 43  72503 30321 120      20 219        s-trans-Propenoic acid
  140143.9035  0.0015 -4.4480 3  107.6271 43  72503 30321 220      20 219        s-trans-Propenoic acid
  140144.9750  0.0015 -4.4480 3  107.6270 43  72503 30321 120      20 119        s-trans-Propenoic acid
  140145.9578  0.0015 -4.8997 3  107.6270 43  72503 30321 220      20 119        s-trans-Propenoic acid
  140150.8241  0.0015 -4.5013 3  104.9380 39  72503 30319 416      18 415        s-trans-Propenoic acid
  140166.4974  0.0015 -5.0002 3  106.5657 41  72503 30320 218      19 317        s-trans-Propenoic acid
  140169.3824  0.0036 -5.1178 3  276.6742 77  72503 303381227      381128        s-trans-Propenoic acid
  140195.2470  0.0037 -5.1244 3  286.8916 79  72503 303391228      391129        s-trans-Propenoic acid
  140225.1945  0.0015 -4.4744 3  106.5657 41  72503 30320 318      19 317        s-trans-Propenoic acid
  140258.2492  0.0053 -6.2717 3  138.6633 47  72503 30323 816      23 617        s-trans-Propenoic acid
  140279.6614  0.0015 -4.4741 3  106.5619 41  72503 30320 218      19 217        s-trans-Propenoic acid
  140334.4608  0.0069 -5.1460 3  302.5288 81  72503 303401327      401228        s-trans-Propenoic acid
  140338.3585  0.0015 -4.9991 3  106.5619 41  72503 30320 318      19 217        s-trans-Propenoic acid
  140338.5175  0.0114 -6.7068 3  336.5862 89  72503 303441034      431231        s-trans-Propenoic acid
  140390.6300  0.0136 -5.2052 3  364.4117 91  72503 303451431      451332        s-trans-Propenoic acid
  140474.4917  0.0025 -6.9065 3   64.5086 17  72503 303 8 3 6       7 0 7        s-trans-Propenoic acid
  140598.9461  0.0043 -6.5930 3  103.5707 35  72503 30317 711      17 512        s-trans-Propenoic acid
  140667.8078  0.0021 -5.6705 3   73.9754 23  72503 30311 4 7      10 3 8        s-trans-Propenoic acid
  140686.5038  0.0036 -5.8542 3  238.5762 71  72503 303351026      341123        s-trans-Propenoic acid
  140726.5795  0.0028 -6.7197 3   92.2169 31  72503 30315 6 9      15 412        s-trans-Propenoic acid
  140739.0706  0.0035 -5.1098 3  266.7145 75  72503 303371226      371127        s-trans-Propenoic acid
  140810.7990  0.0021 -5.1554 3  157.4103 49  72503 303241113      241014        s-trans-Propenoic acid
  140851.9453  0.0021 -5.1552 3  157.4088 49  72503 303241114      241015        s-trans-Propenoic acid
  140950.2899  0.0038 -5.1291 3  297.3590 81  72503 303401229      401130        s-trans-Propenoic acid
  140960.7634  0.0045 -5.8641 3  276.6478 77  72503 303381227      371324        s-trans-Propenoic acid
  140964.9881  0.0732 -6.7647 3  783.1210133  72503 303662740      652837        s-trans-Propenoic acid
  140964.9885  0.0732 -6.7647 3  783.1210133  72503 303662739      652838        s-trans-Propenoic acid
  140969.1236  0.0524 -5.6030 3  661.1842129  72503 303641747      641648        s-trans-Propenoic acid
  141048.2564  0.0035 -5.1040 3  238.5762 69  72503 303341222      341123        s-trans-Propenoic acid
  141086.6535  0.0036 -5.1347 3  292.6528 81  72503 303401130      401031        s-trans-Propenoic acid
  141265.0632  0.0050 -5.7955 3  220.9711 67  72503 303331023      321122        s-trans-Propenoic acid
  141282.1044  0.0015 -4.4935 3  104.8465 39  72503 30319 316      18 315        s-trans-Propenoic acid
  141327.9469  0.0309 -6.3182 3  547.1886111  72503 303552135      542232        s-trans-Propenoic acid
  141328.5127  0.0309 -6.3182 3  547.1886111  72503 303552134      542233        s-trans-Propenoic acid
  141347.2741  0.0207 -5.9565 3  407.7644 99  72503 303491237      491238        s-trans-Propenoic acid
  141611.0036  0.0485 -5.5184 3  605.1562123  72503 303611645      611546        s-trans-Propenoic acid
  141618.4404  0.0021 -5.1682 3  151.2414 47  72503 303231112      231013        s-trans-Propenoic acid
  141636.1718  0.0021 -5.1681 3  151.2408 47  72503 303231113      231014        s-trans-Propenoic acid
  141655.2306  0.0521 -5.6893 3  719.8491135  72503 303671849      671750        s-trans-Propenoic acid
  141755.4484  0.0033 -5.1011 3  257.0192 73  72503 303361225      361126        s-trans-Propenoic acid
  141982.8363  0.0666 -5.7527 3  762.0759139  72503 303691950      691851        s-trans-Propenoic acid
  142092.2132  0.0055 -5.7741 3  287.6063 81  72503 30340 931      40 932        s-trans-Propenoic acid
  142126.9599  0.0522 -6.7005 3  476.1467109  72503 303541342      531439        s-trans-Propenoic acid
  142135.6080  0.0027 -5.8157 3  149.7929 55  72503 30327 324      27 325        s-trans-Propenoic acid
  142136.0520  0.0027 -5.3543 3  149.7929 55  72503 30327 324      27 225        s-trans-Propenoic acid
  142146.8268  0.0027 -5.3542 3  149.7929 55  72503 30327 424      27 325        s-trans-Propenoic acid
  142147.2708  0.0027 -5.8156 3  149.7929 55  72503 30327 424      27 225        s-trans-Propenoic acid
  142311.0781  0.0022 -5.1842 3  145.3417 45  72503 303221111      221012        s-trans-Propenoic acid
  142318.3471  0.0022 -5.1842 3  145.3414 45  72503 303221112      221013        s-trans-Propenoic acid
  142351.9274  0.0057 -5.8900 3  302.3826 81  72503 303401328      391425        s-trans-Propenoic acid
  142509.7543  0.0830 -6.8430 3  829.8769137  72503 303682841      672938        s-trans-Propenoic acid
  142509.7545  0.0830 -6.8430 3  829.8769137  72503 303682840      672939        s-trans-Propenoic acid
  142529.0026  0.0037 -6.9380 3   89.9389 31  72503 30315 510      15 313        s-trans-Propenoic acid
  142536.8213  0.0039 -5.1315 3  308.0683 83  72503 303411230      411131        s-trans-Propenoic acid
  142569.1074  0.0016 -4.5338 3  105.5229 37  72503 30318 612      17 611        s-trans-Propenoic acid
  142700.7194  0.0366 -6.3790 3  585.6649115  72503 303572236      562333        s-trans-Propenoic acid
  142700.9182  0.0366 -6.3790 3  585.6649115  72503 303572235      562334        s-trans-Propenoic acid
  142891.8222  0.0016 -5.1292 3  104.8465 39  72503 30319 416      18 315        s-trans-Propenoic acid
  142905.5527  0.0023 -5.2039 3  139.7091 43  72503 303211110      211011        s-trans-Propenoic acid
  142908.3752  0.0023 -5.2038 3  139.7090 43  72503 303211111      211012        s-trans-Propenoic acid
  142939.4884  0.0033 -5.7799 3  267.4383 77  72503 303381029      38 830        s-trans-Propenoic acid
  142974.6530  0.0240 -6.8689 3  402.8043 99  72503 303491138      481335        s-trans-Propenoic acid
  143003.4504  0.0053 -5.9242 3  229.3457 69  72503 303341025      34 826        s-trans-Propenoic acid
  143043.7728  0.0021 -5.4140 3   75.7704 23  72503 30311 5 7      10 4 6        s-trans-Propenoic acid
  143058.5959  0.0411 -5.4374 3  551.7709117  72503 303581543      581444        s-trans-Propenoic acid
  143070.9380  0.0032 -5.0923 3  247.5939 71  72503 303351224      351125        s-trans-Propenoic acid
  143078.6497  0.0024 -5.2340 3   71.6251 15  72503 303 7 7 1       6 6 0        s-trans-Propenoic acid
  143078.6541  0.0024 -5.2340 3   71.6251 15  72503 303 7 7 0       6 6 1        s-trans-Propenoic acid
  143245.2598  0.0078 -6.0936 3  277.5406 79  72503 303391030      381127        s-trans-Propenoic acid
  143269.6318  0.0034 -6.1818 3  122.7926 49  72503 30324 123      24 124        s-trans-Propenoic acid
  143269.6331  0.0034 -5.7645 3  122.7926 49  72503 30324 123      24 024        s-trans-Propenoic acid
  143269.7354  0.0034 -5.7645 3  122.7926 49  72503 30324 223      24 124        s-trans-Propenoic acid
  143269.7367  0.0034 -6.1818 3  122.7926 49  72503 30324 223      24 024        s-trans-Propenoic acid
  143273.5093  0.0031 -5.7068 3  229.7968 71  72503 30335 728      35 729        s-trans-Propenoic acid
  143307.6523  0.0130 -5.8772 3  364.9886 93  72503 303461135      461136        s-trans-Propenoic acid
  143324.2257  0.0073 -5.9245 3  329.5966 85  72503 303421429      411526        s-trans-Propenoic acid
  143379.6479  0.0404 -5.3505 3  494.7400109  72503 303541638      541539        s-trans-Propenoic acid
  143414.9824  0.0024 -5.2275 3  134.3420 41  72503 3032011 9      201010        s-trans-Propenoic acid
  143416.0148  0.0024 -5.2275 3  134.3420 41  72503 303201110      201011        s-trans-Propenoic acid
  143436.5952  0.0051 -5.1481 3  287.5615 81  72503 30340 931      40 832        s-trans-Propenoic acid
  143505.0617  0.0082 -5.8162 3  324.9344 87  72503 303431033      431034        s-trans-Propenoic acid
  143507.6502  0.0031 -5.1420 3  229.7890 71  72503 30335 728      35 629        s-trans-Propenoic acid
  143638.4883  0.0030 -5.5891 3  176.0490 39  72503 3031918 1      1818 0        s-trans-Propenoic acid
  143638.4883  0.0030 -5.5891 3  176.0490 39  72503 3031918 2      1818 1        s-trans-Propenoic acid
  143720.9810  0.0027 -5.2826 3  167.9589 39  72503 3031917 2      1817 1        s-trans-Propenoic acid
  143720.9810  0.0027 -5.2826 3  167.9589 39  72503 3031917 3      1817 2        s-trans-Propenoic acid
  143817.7803  0.0023 -5.1023 3  160.3335 39  72503 3031916 3      1816 2        s-trans-Propenoic acid
  143817.7803  0.0023 -5.1023 3  160.3335 39  72503 3031916 4      1816 3        s-trans-Propenoic acid
  143822.2703  0.0026 -5.7415 3  167.8375 59  72503 30329 425      29 426        s-trans-Propenoic acid
  143825.1487  0.0026 -5.2572 3  167.8374 59  72503 30329 425      29 326        s-trans-Propenoic acid
  143839.0585  0.0716 -6.2072 3  567.7849119  72503 303591544      591545        s-trans-Propenoic acid
  143840.3242  0.0036 -6.5650 3   89.8952 31  72503 30315 510      15 213        s-trans-Propenoic acid
  143850.0644  0.0026 -5.2558 3  129.2390 39  72503 3031911 8      1910 9        s-trans-Propenoic acid
  143850.4178  0.0026 -5.2558 3  129.2390 39  72503 3031911 9      191010        s-trans-Propenoic acid
  143860.9711  0.0077 -6.5798 3  313.5381 85  72503 303421032      411229        s-trans-Propenoic acid
  143875.5926  0.0026 -5.2569 3  167.8375 59  72503 30329 525      29 426        s-trans-Propenoic acid
  143878.4710  0.0026 -5.7412 3  167.8374 59  72503 30329 525      29 326        s-trans-Propenoic acid
  143933.0222  0.0020 -4.9743 3  153.1734 39  72503 3031915 4      1815 3        s-trans-Propenoic acid
  143933.0222  0.0020 -4.9743 3  153.1734 39  72503 3031915 5      1815 4        s-trans-Propenoic acid
  143944.3626  0.0015 -4.4946 3  102.1337 37  72503 30318 414      17 413        s-trans-Propenoic acid
  143977.7323  0.0021 -5.2705 3  112.3385 41  72503 30320 416      19 515        s-trans-Propenoic acid
  144042.4806  0.0935 -5.7142 3  743.2047137  72503 303681949      681850        s-trans-Propenoic acid
  144066.9579  0.0937 -6.9245 3  878.0938141  72503 303702942      693039        s-trans-Propenoic acid
  144066.9580  0.0937 -6.9245 3  878.0938141  72503 303702941      693040        s-trans-Propenoic acid
  144072.4320  0.0018 -4.8756 3  146.4795 39  72503 3031914 5      1814 4        s-trans-Propenoic acid
  144072.4320  0.0018 -4.8756 3  146.4795 39  72503 3031914 6      1814 5        s-trans-Propenoic acid
  144082.4279  0.0031 -5.0883 3  229.6436 67  72503 303331221      331122        s-trans-Propenoic acid
  144106.4345  0.0429 -6.4431 3  625.6075119  72503 303592337      582434        s-trans-Propenoic acid
  144106.5037  0.0429 -6.4431 3  625.6075119  72503 303592336      582435        s-trans-Propenoic acid
  144123.2560  0.0552 -5.7755 3  781.1487141  72503 303701951      701852        s-trans-Propenoic acid
  144188.8209  0.0094 -5.9643 3  358.2863 89  72503 303441530      431627        s-trans-Propenoic acid
  144219.8497  0.0027 -5.2896 3  124.3987 37  72503 3031811 7      1810 8        s-trans-Propenoic acid
  144219.9619  0.0027 -5.2896 3  124.3987 37  72503 3031811 8      1810 9        s-trans-Propenoic acid
  144244.1396  0.0016 -4.7958 3  140.2530 39  72503 3031913 6      1813 5        s-trans-Propenoic acid
  144244.1396  0.0016 -4.7958 3  140.2530 39  72503 3031913 7      1813 6        s-trans-Propenoic acid
  144246.7566  0.0022 -5.3062 3   72.8868 19  72503 303 9 6 4       8 5 3        s-trans-Propenoic acid
  144267.7505  0.0022 -5.3062 3   72.8862 19  72503 303 9 6 3       8 5 4        s-trans-Propenoic acid
  144380.3433  0.0077 -5.9178 3  329.5947 85  72503 303421428      411527        s-trans-Propenoic acid
  144460.0529  0.0014 -4.7294 3  134.4954 39  72503 3031912 8      1812 7        s-trans-Propenoic acid
  144460.0531  0.0014 -4.7294 3  134.4954 39  72503 3031912 7      1812 6        s-trans-Propenoic acid
  144532.2034  0.0029 -5.3302 3  119.8199 35  72503 3031711 6      1710 7        s-trans-Propenoic acid
  144532.2361  0.0029 -5.3302 3  119.8199 35  72503 3031711 7      1710 8        s-trans-Propenoic acid
  144553.1423  0.0030 -5.0841 3  238.4426 69  72503 303341223      341124        s-trans-Propenoic acid
  144617.0935  0.0095 -5.9617 3  358.2856 89  72503 303441529      431628        s-trans-Propenoic acid
  144738.3028  0.0013 -4.6729 3  129.2094 39  72503 3031911 9      1811 8        s-trans-Propenoic acid
  144738.3113  0.0013 -4.6729 3  129.2094 39  72503 3031911 8      1811 7        s-trans-Propenoic acid
  144750.8023  0.0085 -6.6108 3  324.8929 87  72503 303431033      421230        s-trans-Propenoic acid
  144771.2036  0.0321 -5.3621 3  501.0377111  72503 303551441      551342        s-trans-Propenoic acid
  144776.6752  0.0027 -5.6921 3  207.8543 67  72503 30333 627      33 628        s-trans-Propenoic acid
  144785.9170  0.0026 -5.7031 3  187.1963 63  72503 30331 526      31 527        s-trans-Propenoic acid
  144792.7733  0.0845 -5.5645 3  648.3523127  72503 303631845      631746        s-trans-Propenoic acid
  144794.0866  0.0030 -5.3796 3  115.5014 33  72503 3031611 5      1610 6        s-trans-Propenoic acid
  144794.0953  0.0030 -5.3796 3  115.5014 33  72503 3031611 6      1610 7        s-trans-Propenoic acid
  144800.6553  0.0026 -5.1945 3  187.1958 63  72503 30331 526      31 427        s-trans-Propenoic acid
  144833.1111  0.0059 -6.0925 3  175.9470 57  72503 30328 920      28 721        s-trans-Propenoic acid
  144839.8164  0.0027 -5.1571 3  207.8522 67  72503 30333 627      33 528        s-trans-Propenoic acid
  144862.9658  0.0064 -5.8738 3  302.3777 81  72503 303401327      391426        s-trans-Propenoic acid
  144949.8216  0.0029 -6.6737 3   96.2356 33  72503 30316 610      16 413        s-trans-Propenoic acid
  144998.0553  0.0025 -5.1934 3  187.1963 63  72503 30331 626      31 527        s-trans-Propenoic acid
  145011.7336  0.0032 -5.4409 3  111.4422 31  72503 3031511 4      1510 5        s-trans-Propenoic acid
  145011.7356  0.0032 -5.4409 3  111.4422 31  72503 3031511 5      1510 6        s-trans-Propenoic acid
  145012.7936  0.0025 -5.7018 3  187.1958 63  72503 30331 626      31 427        s-trans-Propenoic acid
  145013.2992  0.0041 -5.1314 3  319.0116 85  72503 303421231      421132        s-trans-Propenoic acid
  145052.4455  0.0014 -4.4841 3  107.5001 39  72503 30319 515      18 514        s-trans-Propenoic acid
  145055.9978  0.0034 -5.1209 3  277.4802 79  72503 303391030      39 931        s-trans-Propenoic acid
  145082.7881  0.0119 -6.0082 3  388.4498 93  72503 303461631      451728        s-trans-Propenoic acid
  145107.8469  0.0013 -4.6243 3  124.3987 39  72503 303191010      1810 9        s-trans-Propenoic acid
  145108.0965  0.0013 -4.6243 3  124.3987 39  72503 3031910 9      1810 8        s-trans-Propenoic acid
  145166.9290  0.0031 -5.1214 3  253.0094 75  72503 30337 929      37 830        s-trans-Propenoic acid
  145190.7709  0.0033 -5.5193 3  107.6413 29  72503 3031411 3      1410 4        s-trans-Propenoic acid
  145190.7713  0.0033 -5.5193 3  107.6413 29  72503 3031411 4      1410 5        s-trans-Propenoic acid
  145224.2043  0.0143 -6.6510 3  340.5255 89  72503 303441133      431330        s-trans-Propenoic acid
  145251.4688  0.0120 -6.0072 3  388.4496 93  72503 303461630      451729        s-trans-Propenoic acid
  145336.3003  0.0035 -5.6250 3  104.0978 27  72503 3031311 2      1310 3        s-trans-Propenoic acid
  145336.3004  0.0035 -5.6250 3  104.0978 27  72503 3031311 3      1310 4        s-trans-Propenoic acid
  145452.9592  0.0036 -5.7807 3  100.8108 25  72503 3031211 1      1210 2        s-trans-Propenoic acid
  145452.9593  0.0036 -5.7807 3  100.8108 25  72503 3031211 2      1210 3        s-trans-Propenoic acid
  145474.0620  0.0040 -5.8624 3  247.8212 73  72503 303361027      351124        s-trans-Propenoic acid
  145479.4034  0.0028 -5.1308 3  229.7968 71  72503 30335 828      35 729        s-trans-Propenoic acid
  145506.0711  0.0026 -5.1533 3  207.8543 67  72503 30333 727      33 628        s-trans-Propenoic acid
  145540.3513  0.0498 -6.5104 3  667.0155123  72503 303612438      602535        s-trans-Propenoic acid
  145540.3752  0.0498 -6.5104 3  667.0155123  72503 303612437      602536        s-trans-Propenoic acid
  145544.9659  0.0038 -6.0599 3   97.7795 23  72503 3031111 0      1110 1        s-trans-Propenoic acid
  145544.9659  0.0038 -6.0599 3   97.7795 23  72503 3031111 1      1110 2        s-trans-Propenoic acid
  145569.2122  0.0026 -5.6877 3  207.8522 67  72503 30333 727      33 528        s-trans-Propenoic acid
  145577.1233  0.0015 -5.0778 3  109.6129 41  72503 30320 317      19 416        s-trans-Propenoic acid
  145616.4559  0.0013 -4.5818 3  120.0697 39  72503 30319 911      18 910        s-trans-Propenoic acid
  145621.8759  0.0013 -4.5817 3  120.0698 39  72503 30319 910      18 9 9        s-trans-Propenoic acid
  145713.5444  0.0028 -5.6934 3  229.7890 71  72503 30335 828      35 629        s-trans-Propenoic acid
  145762.9134  0.0073 -5.1628 3  324.8591 87  72503 303431033      43 934        s-trans-Propenoic acid
  145791.1538  0.0023 -6.4950 3   70.9073 21  72503 30310 4 6       9 2 7        s-trans-Propenoic acid
  145861.7214  0.0038 -5.1248 3  303.2029 83  72503 303411131      411032        s-trans-Propenoic acid
  145906.7870  0.0057 -5.1106 3  291.8617 79  72503 303391326      391227        s-trans-Propenoic acid
  145934.1083  0.0030 -5.7151 3  252.9838 75  72503 30337 929      37 730        s-trans-Propenoic acid
  146053.9785  0.0148 -6.0555 3  420.0856 97  72503 303481732      471829        s-trans-Propenoic acid
  146093.9339  0.0029 -5.0770 3  229.5679 67  72503 303331222      331123        s-trans-Propenoic acid
  146118.8361  0.0149 -6.0551 3  420.0855 97  72503 303481731      471830        s-trans-Propenoic acid
  146121.5852  0.0031 -5.9196 3  138.7894 53  72503 30326 224      26 225        s-trans-Propenoic acid
  146121.6077  0.0031 -5.4821 3  138.7894 53  72503 30326 224      26 125        s-trans-Propenoic acid
  146122.4988  0.0031 -5.4821 3  138.7894 53  72503 30326 324      26 225        s-trans-Propenoic acid
  146122.5213  0.0031 -5.9196 3  138.7894 53  72503 30326 324      26 125        s-trans-Propenoic acid
  146202.9033  0.0020 -5.4040 3   75.6814 23  72503 30311 5 6      10 4 7        s-trans-Propenoic acid
  146246.5088  0.0235 -5.2948 3  452.9678105  72503 303521339      521240        s-trans-Propenoic acid
  146327.2137  0.0014 -4.5440 3  116.2328 39  72503 30319 812      18 811        s-trans-Propenoic acid
  146353.1343  0.0016 -4.7723 3  112.8213 47  72503 30323 023      22 122        s-trans-Propenoic acid
  146353.1371  0.0016 -4.3736 3  112.8213 47  72503 30323 123      22 122        s-trans-Propenoic acid
  146353.1406  0.0016 -4.3736 3  112.8213 47  72503 30323 023      22 022        s-trans-Propenoic acid
  146353.1434  0.0016 -4.7723 3  112.8213 47  72503 30323 123      22 022        s-trans-Propenoic acid
  146367.3143  0.0015 -4.8473 3  112.3018 45  72503 30322 121      21 220        s-trans-Propenoic acid
  146367.7812  0.0015 -4.3995 3  112.3018 45  72503 30322 221      21 220        s-trans-Propenoic acid
  146368.2970  0.0015 -4.3995 3  112.3018 45  72503 30322 121      21 120        s-trans-Propenoic acid
  146368.7639  0.0015 -4.8473 3  112.3018 45  72503 30322 221      21 120        s-trans-Propenoic acid
  146410.8912  0.0014 -4.5435 3  116.2349 39  72503 30319 811      18 810        s-trans-Propenoic acid
  146415.8503  0.0015 -4.9407 3  111.2431 43  72503 30321 219      20 318        s-trans-Propenoic acid
  146445.9081  0.0015 -4.4246 3  111.2431 43  72503 30321 319      20 318        s-trans-Propenoic acid
  146474.5474  0.0015 -4.4245 3  111.2411 43  72503 30321 219      20 218        s-trans-Propenoic acid
  146490.8721  0.0016 -4.4870 3  103.5707 37  72503 30318 513      17 512        s-trans-Propenoic acid
  146496.4866  0.0015 -4.4494 3  109.6129 41  72503 30320 417      19 416        s-trans-Propenoic acid
  146501.2133  0.0029 -5.0776 3  221.0125 65  72503 303321220      321121        s-trans-Propenoic acid
  146504.6052  0.0015 -4.9402 3  111.2411 43  72503 30321 319      20 218        s-trans-Propenoic acid
  146652.2754  0.0057 -5.8265 3  276.6351 77  72503 303381226      371325        s-trans-Propenoic acid
  146724.5206  0.0229 -5.2395 3  419.9152 99  72503 303491534      491435        s-trans-Propenoic acid
  146962.6031  0.0109 -5.1932 3  364.8666 93  72503 303461135      461036        s-trans-Propenoic acid
  146998.6510  0.0575 -6.5809 3  709.8881127  72503 303632539      622636        s-trans-Propenoic acid
  146998.6591  0.0575 -6.5809 3  709.8881127  72503 303632538      622637        s-trans-Propenoic acid
  147072.6343  0.0163 -5.2378 3  407.5734 99  72503 303491237      491138        s-trans-Propenoic acid
  147110.4858  0.0183 -6.1059 3  453.1925101  72503 303501833      491930        s-trans-Propenoic acid
  147134.9224  0.0183 -6.1058 3  453.1925101  72503 303501832      491931        s-trans-Propenoic acid
  147136.7883  0.0053 -5.6242 3  156.0808 53  72503 30326 719      25 818        s-trans-Propenoic acid
  147159.9483  0.0014 -4.5109 3  112.9000 39  72503 30319 713      18 712        s-trans-Propenoic acid
  147161.7795  0.0040 -5.8141 3  261.8057 75  72503 303371127      361224        s-trans-Propenoic acid
  147186.8411  0.0015 -4.4449 3  109.5592 41  72503 30320 317      19 316        s-trans-Propenoic acid
  147216.1466  0.0041 -6.6635 3   98.9793 33  72503 30316 710      16 511        s-trans-Propenoic acid
  147230.5201  0.0061 -5.9788 3  267.2952 77  72503 303381029      371126        s-trans-Propenoic acid
  147273.9083  0.0015 -4.4875 3  110.0457 39  72503 30319 614      18 613        s-trans-Propenoic acid
  147302.5978  0.0033 -5.7487 3  277.4053 79  72503 303391030      39 831        s-trans-Propenoic acid
  147613.0329  0.0028 -5.0714 3  220.9711 65  72503 303321221      321122        s-trans-Propenoic acid
  147838.5007  0.0114 -5.1571 3  352.2944 89  72503 303441430      441331        s-trans-Propenoic acid
  147842.3385  0.0048 -5.9024 3  257.3906 75  72503 303371028      361125        s-trans-Propenoic acid
  148014.0195  0.0015 -4.5059 3  112.9278 39  72503 30319 712      18 711        s-trans-Propenoic acid
  148100.4476  0.0037 -5.7069 3  262.4982 77  72503 30338 830      38 831        s-trans-Propenoic acid
  148106.2044  0.0015 -5.0615 3  109.5592 41  72503 30320 417      19 316        s-trans-Propenoic acid
  148182.3816  0.1466 -6.4083 3  696.7285133  72503 303661749      661750        s-trans-Propenoic acid
  148245.4823  0.0223 -6.1595 3  487.7694105  72503 303521934      512031        s-trans-Propenoic acid
  148254.5304  0.0223 -6.1595 3  487.7694105  72503 303521933      512032        s-trans-Propenoic acid
  148387.6807  0.0043 -5.1290 3  330.1813 87  72503 303431232      431133        s-trans-Propenoic acid
  148445.6162  0.0021 -5.3936 3   78.6676 25  72503 30312 5 8      11 4 7        s-trans-Propenoic acid
  148464.1633  0.0028 -5.0709 3  212.6742 63  72503 303311219      311120        s-trans-Propenoic acid
  148472.7239  0.0028 -5.7880 3  156.1297 57  72503 30328 325      28 326        s-trans-Propenoic acid
  148472.9383  0.0028 -5.3297 3  156.1297 57  72503 30328 325      28 226        s-trans-Propenoic acid
  148478.2356  0.0660 -6.6547 3  754.2243131  72503 303652640      642737        s-trans-Propenoic acid
  148478.2384  0.0660 -6.6547 3  754.2243131  72503 303652639      642738        s-trans-Propenoic acid
  148478.4302  0.0028 -5.3297 3  156.1297 57  72503 30328 425      28 326        s-trans-Propenoic acid
  148478.6446  0.0028 -5.7880 3  156.1297 57  72503 30328 425      28 226        s-trans-Propenoic acid
  148542.1711  0.0036 -5.1206 3  262.4835 77  72503 30338 830      38 731        s-trans-Propenoic acid
  148570.6922  0.0613 -5.4198 3  560.6123117  72503 303581741      581642        s-trans-Propenoic acid
  148652.3713  0.0056 -5.7158 3  200.1458 63  72503 30331 922      301021        s-trans-Propenoic acid
  148700.0132  0.0279 -6.4525 3  402.8043 99  72503 303491238      481335        s-trans-Propenoic acid
  148721.2678  0.0822 -5.8609 3  845.0855147  72503 303732053      731954        s-trans-Propenoic acid
  148897.9999  0.0061 -5.9659 3  220.2546 67  72503 303331024      33 825        s-trans-Propenoic acid
  149056.8290  0.0027 -5.0676 3  212.6524 63  72503 303311220      311121        s-trans-Propenoic acid
  149143.2299  0.0053 -6.3281 3  132.4026 45  72503 30322 815      22 616        s-trans-Propenoic acid
  149435.4467  0.0142 -6.2431 3  336.5862 89  72503 303441134      431231        s-trans-Propenoic acid
  149448.1684  0.0269 -6.2163 3  523.8154109  72503 303542035      532132        s-trans-Propenoic acid
  149451.4683  0.0269 -6.2163 3  523.8154109  72503 303542034      532133        s-trans-Propenoic acid
  149504.6309  0.0035 -6.1550 3  128.0897 51  72503 30325 124      25 125        s-trans-Propenoic acid
  149504.6315  0.0035 -5.7387 3  128.0897 51  72503 30325 124      25 025        s-trans-Propenoic acid
  149504.6793  0.0035 -5.7387 3  128.0897 51  72503 30325 224      25 125        s-trans-Propenoic acid
  149504.6799  0.0035 -6.1550 3  128.0897 51  72503 30325 224      25 025        s-trans-Propenoic acid
  149634.8558  0.0478 -6.0843 3  516.0218113  72503 303561442      561443        s-trans-Propenoic acid
  149770.1854  0.1181 -5.8238 3  825.1330145  72503 303722052      721953        s-trans-Propenoic acid
  149798.4239  0.1152 -5.6621 3  724.5742135  72503 303671948      671849        s-trans-Propenoic acid
  149976.5720  0.0753 -6.7318 3  800.0232135  72503 303672741      662838        s-trans-Propenoic acid
  149976.5729  0.0753 -6.7318 3  800.0232135  72503 303672740      662839        s-trans-Propenoic acid
  150020.6046  0.0241 -6.7196 3  381.2861 95  72503 303471235      461432        s-trans-Propenoic acid
  150089.3027  0.0027 -5.0676 3  204.6222 61  72503 303301218      301119        s-trans-Propenoic acid
  150100.9779  0.0015 -4.4461 3  106.9352 39  72503 30319 415      18 414        s-trans-Propenoic acid
  150267.9053  0.0026 -5.7139 3  174.7998 61  72503 30330 426      30 427        s-trans-Propenoic acid
  150269.3463  0.0026 -5.2338 3  174.7998 61  72503 30330 426      30 327        s-trans-Propenoic acid
  150284.7579  0.0046 -5.8194 3  292.3460 81  72503 303401130      40 931        s-trans-Propenoic acid
  150296.0791  0.0026 -5.2337 3  174.7998 61  72503 30330 526      30 427        s-trans-Propenoic acid
  150297.5200  0.0026 -5.7137 3  174.7998 61  72503 30330 526      30 327        s-trans-Propenoic acid
  150391.3204  0.0049 -5.0825 3  281.5269 77  72503 303381325      381226        s-trans-Propenoic acid
  150394.1061  0.0026 -5.0659 3  204.6111 61  72503 303301219      301120        s-trans-Propenoic acid
  150461.0546  0.0050 -5.1071 3  323.8487 85  72503 303421330      421231        s-trans-Propenoic acid
  150490.2878  0.0801 -5.7831 3  800.3897143  72503 303711952      711853        s-trans-Propenoic acid
  150593.9553  0.0052 -5.1170 3  335.1310 87  72503 303431331      431232        s-trans-Propenoic acid
  150625.9500  0.0056 -5.7704 3  252.3663 73  72503 303361125      351224        s-trans-Propenoic acid
  150628.9032  0.2783 -6.6542 3  840.0611147  72503 303731954      731955        s-trans-Propenoic acid
  150632.6899  0.0049 -5.8148 3  286.5434 79  72503 303391228      381325        s-trans-Propenoic acid
  150633.7027  0.0024 -5.1962 3   73.3931 17  72503 303 8 7 2       7 6 1        s-trans-Propenoic acid
  150633.7602  0.0024 -5.1962 3   73.3931 17  72503 303 8 7 1       7 6 2        s-trans-Propenoic acid
  150649.6987  0.0802 -5.6840 3  738.1796137  72503 303681850      681751        s-trans-Propenoic acid
  150707.9658  0.0321 -6.2762 3  561.3295113  72503 303562136      552233        s-trans-Propenoic acid
  150709.1534  0.0321 -6.2762 3  561.3295113  72503 303562135      552234        s-trans-Propenoic acid
  150876.9012  0.0030 -5.6718 3  238.6497 73  72503 30336 729      36 730        s-trans-Propenoic acid
  150981.3530  0.0048 -5.0956 3  312.8229 83  72503 303411329      411230        s-trans-Propenoic acid
  151006.9659  0.0029 -5.1170 3  238.6454 73  72503 30336 729      36 630        s-trans-Propenoic acid
  151010.4320  0.0054 -5.8502 3  281.8544 79  72503 303391129      39 930        s-trans-Propenoic acid
  151184.4166  0.0035 -5.5721 3  189.3922 41  72503 3032019 1      1919 0        s-trans-Propenoic acid
  151184.4166  0.0035 -5.5721 3  189.3922 41  72503 3032019 2      1919 1        s-trans-Propenoic acid
  151255.2554  0.0032 -5.3544 3  125.5397 45  72503 30322 517      21 616        s-trans-Propenoic acid
  151256.4861  0.0031 -6.6516 3  100.4776 35  72503 30317 611      17 414        s-trans-Propenoic acid
  151266.6820  0.0031 -5.2640 3  180.8403 41  72503 3032018 2      1918 1        s-trans-Propenoic acid
  151266.6820  0.0031 -5.2640 3  180.8403 41  72503 3032018 3      1918 2        s-trans-Propenoic acid
  151290.3177  0.0035 -5.1053 3  287.6063 81  72503 303401031      40 932        s-trans-Propenoic acid
  151307.7909  0.0040 -5.1139 3  313.9645 85  72503 303421132      421033        s-trans-Propenoic acid
  151362.1421  0.0027 -5.0821 3  172.7529 41  72503 3032017 3      1917 2        s-trans-Propenoic acid
  151362.1421  0.0027 -5.0821 3  172.7529 41  72503 3032017 4      1917 3        s-trans-Propenoic acid
  151377.6844  0.0035 -6.5507 3   91.8616 31  72503 30315 6 9      15 312        s-trans-Propenoic acid
  151414.8390  0.0026 -5.6747 3  194.7860 65  72503 30332 527      32 528        s-trans-Propenoic acid
  151422.4792  0.0026 -5.1718 3  194.7858 65  72503 30332 527      32 428        s-trans-Propenoic acid
  151459.3073  0.0026 -5.0672 3  196.8515 59  72503 303291217      291118        s-trans-Propenoic acid
  151474.3746  0.0024 -4.9526 3  165.1308 41  72503 3032016 4      1916 3        s-trans-Propenoic acid
  151474.3746  0.0024 -4.9526 3  165.1308 41  72503 3032016 5      1916 4        s-trans-Propenoic acid
  151491.5717  0.0855 -6.8121 3  847.2837139  72503 303692842      682939        s-trans-Propenoic acid
  151491.5720  0.0855 -6.8121 3  847.2837139  72503 303692841      682940        s-trans-Propenoic acid
  151493.8103  0.0804 -6.7593 3  540.7032117  72503 303581445      571542        s-trans-Propenoic acid
  151507.2986  0.0054 -5.1249 3  346.6616 89  72503 303441332      441233        s-trans-Propenoic acid
  151531.2618  0.0025 -5.1712 3  194.7860 65  72503 30332 627      32 528        s-trans-Propenoic acid
  151538.9020  0.0025 -5.6741 3  194.7858 65  72503 30332 627      32 428        s-trans-Propenoic acid
  151608.2336  0.0021 -4.8522 3  157.9745 41  72503 3032015 5      1915 4        s-trans-Propenoic acid
  151608.2336  0.0021 -4.8522 3  157.9745 41  72503 3032015 6      1915 5        s-trans-Propenoic acid
  151610.4926  0.0026 -5.0663 3  196.8460 59  72503 303291218      291119        s-trans-Propenoic acid
  151692.8375  0.0022 -5.2673 3   75.1784 21  72503 30310 6 5       9 5 4        s-trans-Propenoic acid
  151737.9606  0.0026 -5.6617 3  216.0741 69  72503 30334 628      34 629        s-trans-Propenoic acid
  151759.3227  0.0041 -5.7904 3  303.0062 83  72503 303411131      41 932        s-trans-Propenoic acid
  151765.8608  0.0022 -5.2670 3   75.1762 21  72503 30310 6 4       9 5 5        s-trans-Propenoic acid
  151770.4523  0.0018 -4.7708 3  151.2853 41  72503 3032014 6      1914 5        s-trans-Propenoic acid
  151770.4523  0.0018 -4.7708 3  151.2853 41  72503 3032014 7      1914 6        s-trans-Propenoic acid
  151771.8397  0.0026 -5.1341 3  216.0730 69  72503 30334 628      34 529        s-trans-Propenoic acid
  151783.8317  0.0031 -5.1029 3  262.4982 77  72503 30338 930      38 831        s-trans-Propenoic acid
  151904.2859  0.0015 -4.4300 3  112.3385 41  72503 30320 516      19 515        s-trans-Propenoic acid
  151914.1890  0.0017 -4.4591 3  110.2785 39  72503 30319 613      18 612        s-trans-Propenoic acid
  151922.9212  0.0045 -5.4850 3  140.1097 49  72503 30324 618      23 717        s-trans-Propenoic acid
  151939.1457  0.0050 -5.7258 3  297.9380 83  72503 30341 932      41 933        s-trans-Propenoic acid
  151970.6214  0.0016 -4.7027 3  145.0644 41  72503 3032013 7      1913 6        s-trans-Propenoic acid
  151970.6214  0.0016 -4.7027 3  145.0644 41  72503 3032013 8      1913 7        s-trans-Propenoic acid
  152007.3117  0.0046 -5.0832 3  302.0606 81  72503 303401328      401229        s-trans-Propenoic acid
  152015.7886  0.0379 -6.3393 3  600.3107117  72503 303582237      572334        s-trans-Propenoic acid
  152016.2111  0.0379 -6.3393 3  600.3107117  72503 303582236      572335        s-trans-Propenoic acid
  152021.4404  0.0394 -6.8190 3  424.8094101  72503 303501337      491534        s-trans-Propenoic acid
  152030.6289  0.0734 -5.5870 3  678.6011131  72503 303651748      651649        s-trans-Propenoic acid
  152046.8236  0.0786 -5.8824 3  865.2280149  72503 303742054      741955        s-trans-Propenoic acid
  152058.0340  0.0032 -6.4192 3   95.9985 33  72503 30316 610      16 313        s-trans-Propenoic acid
  152154.1565  0.0026 -5.1320 3  216.0741 69  72503 30334 728      34 629        s-trans-Propenoic acid
  152188.0356  0.0026 -5.6593 3  216.0730 69  72503 30334 728      34 529        s-trans-Propenoic acid
  152189.1889  0.0028 -5.1106 3  238.6497 73  72503 30336 829      36 730        s-trans-Propenoic acid
  152222.8532  0.0015 -4.6447 3  139.3141 41  72503 3032012 9      1912 8        s-trans-Propenoic acid
  152222.8540  0.0015 -4.6447 3  139.3141 41  72503 3032012 8      1912 7        s-trans-Propenoic acid
  152225.5553  0.0031 -5.6853 3  262.4835 77  72503 30338 930      38 731        s-trans-Propenoic acid
  152269.9484  0.0015 -5.0070 3  114.4995 43  72503 30321 318      20 417        s-trans-Propenoic acid
  152319.2536  0.0028 -5.6642 3  238.6454 73  72503 30336 829      36 630        s-trans-Propenoic acid
  152387.9877  0.0032 -5.8937 3  144.7098 55  72503 30327 225      27 226        s-trans-Propenoic acid
  152387.9981  0.0032 -5.4580 3  144.7098 55  72503 30327 225      27 126        s-trans-Propenoic acid
  152388.4316  0.0032 -5.4580 3  144.7098 55  72503 30327 325      27 226        s-trans-Propenoic acid
  152388.4420  0.0032 -5.8937 3  144.7098 55  72503 30327 325      27 126        s-trans-Propenoic acid
  152470.7898  0.0062 -5.8374 3  312.7732 83  72503 303411329      401426        s-trans-Propenoic acid
  152548.7790  0.0014 -4.5945 3  134.0373 41  72503 303201110      1911 9        s-trans-Propenoic acid
  152548.8067  0.0014 -4.5945 3  134.0373 41  72503 3032011 9      1911 8        s-trans-Propenoic acid
  152579.0649  0.0016 -4.7269 3  117.7031 49  72503 30324 024      23 123        s-trans-Propenoic acid
  152579.0661  0.0016 -4.3292 3  117.7031 49  72503 30324 124      23 123        s-trans-Propenoic acid
  152579.0677  0.0016 -4.3292 3  117.7031 49  72503 30324 024      23 023        s-trans-Propenoic acid
  152579.0690  0.0016 -4.7269 3  117.7031 49  72503 30324 124      23 023        s-trans-Propenoic acid
  152591.5096  0.0015 -4.7982 3  117.1841 47  72503 30323 122      22 221        s-trans-Propenoic acid
  152591.7302  0.0015 -4.3539 3  117.1841 47  72503 30323 222      22 221        s-trans-Propenoic acid
  152591.9766  0.0015 -4.3539 3  117.1841 47  72503 30323 122      22 121        s-trans-Propenoic acid
  152592.1971  0.0015 -4.7982 3  117.1841 47  72503 30323 222      22 121        s-trans-Propenoic acid
  152617.8002  0.0046 -5.1245 3  341.5708 89  72503 303441233      441134        s-trans-Propenoic acid
  152630.8025  0.0026 -5.0694 3  189.3582 57  72503 303281216      281117        s-trans-Propenoic acid
  152634.6997  0.0034 -5.7194 3  287.5615 81  72503 303401031      40 832        s-trans-Propenoic acid
  152648.7543  0.0015 -4.8856 3  116.1280 45  72503 30322 220      21 319        s-trans-Propenoic acid
  152663.9735  0.0015 -4.3779 3  116.1280 45  72503 30322 320      21 319        s-trans-Propenoic acid
  152665.5708  0.0371 -5.2904 3  480.0471107  72503 303531637      531538        s-trans-Propenoic acid
  152678.8121  0.0015 -4.3779 3  116.1270 45  72503 30322 220      21 219        s-trans-Propenoic acid
  152694.0313  0.0015 -4.8853 3  116.1270 45  72503 30322 320      21 219        s-trans-Propenoic acid
  152699.2430  0.0038 -6.7390 3   94.6932 31  72503 30315 7 9      15 510        s-trans-Propenoic acid
  152703.0561  0.0026 -5.0690 3  189.3556 57  72503 303281217      281118        s-trans-Propenoic acid
  152730.5057  0.0047 -5.1172 3  297.9116 83  72503 30341 932      41 833        s-trans-Propenoic acid
  152751.4704  0.0023 -5.3798 3   81.8644 27  72503 30313 5 9      12 4 8        s-trans-Propenoic acid
  152783.1500  0.0015 -4.4010 3  114.4995 43  72503 30321 418      20 417        s-trans-Propenoic acid
  152983.1820  0.0013 -4.5505 3  129.2390 41  72503 303201011      191010        s-trans-Propenoic acid
  152983.8888  0.0013 -4.5505 3  129.2390 41  72503 303201010      1910 9        s-trans-Propenoic acid
  153189.3117  0.0015 -4.3985 3  114.4688 43  72503 30321 318      20 317        s-trans-Propenoic acid
  153214.6558  0.0039 -6.7262 3   87.9240 29  72503 30314 6 8      14 311        s-trans-Propenoic acid
  153292.7483  0.0056 -5.1304 3  358.4322 91  72503 303451333      451234        s-trans-Propenoic acid
  153313.4914  0.0022 -6.3338 3   73.5536 23  72503 30311 4 7      10 2 8        s-trans-Propenoic acid
  153364.1955  0.0444 -6.4055 3  640.7583121  72503 303602338      592435        s-trans-Propenoic acid
  153364.3442  0.0444 -6.4055 3  640.7583121  72503 303602337      592436        s-trans-Propenoic acid
  153387.7010  0.0043 -5.0705 3  291.5680 79  72503 303391327      391228        s-trans-Propenoic acid
  153531.5107  0.0018 -5.1542 3  117.4055 43  72503 30321 417      20 516        s-trans-Propenoic acid
  153540.0343  0.0894 -5.5032 3  631.1081125  72503 303621844      621745        s-trans-Propenoic acid
  153550.2062  0.0079 -5.8717 3  340.4859 87  72503 303431430      421527        s-trans-Propenoic acid
  153550.2139  0.0308 -5.9781 3  466.9693107  72503 303531340      531341        s-trans-Propenoic acid
  153582.1753  0.0013 -4.5115 3  124.9270 41  72503 30320 912      19 911        s-trans-Propenoic acid
  153595.4946  0.0013 -4.5115 3  124.9273 41  72503 30320 911      19 910        s-trans-Propenoic acid
  153642.6247  0.0026 -5.0743 3  182.1393 55  72503 303271215      271116        s-trans-Propenoic acid
  153675.8462  0.0026 -5.0741 3  182.1381 55  72503 303271216      271117        s-trans-Propenoic acid
  153689.4036  0.0175 -6.7128 3  389.6825 97  72503 303481137      471334        s-trans-Propenoic acid
  153702.5133  0.0015 -4.9982 3  114.4688 43  72503 30321 418      20 317        s-trans-Propenoic acid
  153962.8492  0.0043 -5.0608 3  271.5122 75  72503 303371324      371225        s-trans-Propenoic acid
  154014.4457  0.0062 -6.1415 3  168.3446 55  72503 30327 919      27 720        s-trans-Propenoic acid
  154083.9329  0.0616 -5.4938 3  621.6614125  72503 303621646      621547        s-trans-Propenoic acid
  154155.5331  0.0094 -5.1160 3  340.5255 87  72503 303431429      431330        s-trans-Propenoic acid
  154201.1457  0.0025 -5.6831 3   76.7208 25  72503 30312 4 8      11 3 9        s-trans-Propenoic acid
  154259.0684  0.0031 -6.1371 3   72.3173 23  72503 30311 3 8      10 2 9        s-trans-Propenoic acid
  154277.4367  0.0063 -5.8830 3  271.5281 77  72503 303381128      38 929        s-trans-Propenoic acid
  154358.8995  0.0101 -5.9130 3  369.6766 91  72503 303451531      441628        s-trans-Propenoic acid
  154400.4512  0.0014 -4.4765 3  121.1138 41  72503 30320 813      19 812        s-trans-Propenoic acid
  154521.9750  0.0027 -5.0818 3  175.1925 53  72503 303261214      261115        s-trans-Propenoic acid
  154536.6409  0.0027 -5.0817 3  175.1920 53  72503 303261215      261116        s-trans-Propenoic acid
  154578.3948  0.0014 -4.4755 3  121.1186 41  72503 30320 812      19 811        s-trans-Propenoic acid
  154605.6831  0.0075 -5.7626 3  336.1103 89  72503 303441034      441035        s-trans-Propenoic acid
  154747.1844  0.0516 -6.4750 3  682.6712125  72503 303622439      612536        s-trans-Propenoic acid
  154747.2362  0.0516 -6.4750 3  682.6712125  72503 303622438      612537        s-trans-Propenoic acid
  154754.2302  0.0042 -5.7913 3  271.5122 77  72503 303381128      371225        s-trans-Propenoic acid
  154775.6992  0.0020 -5.3788 3   78.4944 25  72503 30312 5 7      11 4 8        s-trans-Propenoic acid
  154796.6343  0.0029 -5.7628 3  162.6740 59  72503 30329 326      29 327        s-trans-Propenoic acid
  154796.7372  0.0029 -5.3072 3  162.6740 59  72503 30329 326      29 227        s-trans-Propenoic acid
  154799.5126  0.0029 -5.3071 3  162.6740 59  72503 30329 426      29 327        s-trans-Propenoic acid
  154799.6156  0.0029 -5.7628 3  162.6740 59  72503 30329 426      29 227        s-trans-Propenoic acid
  154807.6682  0.1517 -5.7724 3  805.4095143  72503 303712051      711952        s-trans-Propenoic acid
  154848.7189  0.0016 -4.4225 3  108.4571 39  72503 30319 514      18 513        s-trans-Propenoic acid
  154892.4042  0.0194 -5.1866 3  406.6871 97  72503 303481533      481434        s-trans-Propenoic acid
  154894.3094  0.0015 -4.4278 3  114.9583 41  72503 30320 615      19 614        s-trans-Propenoic acid
  154982.4306  0.0041 -5.0581 3  281.3497 77  72503 303381326      381227        s-trans-Propenoic acid
  154995.4681  0.0039 -5.7628 3  313.8415 85  72503 303421132      42 933        s-trans-Propenoic acid
  155134.1456  0.0127 -5.9588 3  400.3424 95  72503 303471632      461729        s-trans-Propenoic acid
  155152.2221  0.0105 -5.9083 3  369.6752 91  72503 303451530      441629        s-trans-Propenoic acid
  155222.1888  0.0015 -4.4463 3  117.8087 41  72503 30320 714      19 713        s-trans-Propenoic acid
  155288.6048  0.0027 -5.0920 3  168.5157 51  72503 303251213      251114        s-trans-Propenoic acid
  155294.8053  0.0027 -5.0919 3  168.5155 51  72503 303251214      251115        s-trans-Propenoic acid
  155453.9394  0.0129 -5.9570 3  400.3419 95  72503 303471631      461730        s-trans-Propenoic acid
  155454.2891  0.0086 -5.8604 3  340.4822 87  72503 303431429      421528        s-trans-Propenoic acid
  155457.0220  0.0027 -6.8039 3   66.2792 19  72503 303 9 3 7       8 0 8        s-trans-Propenoic acid
  155600.6488  0.0193 -5.8889 3  420.6306101  72503 303501238      501239        s-trans-Propenoic acid
  155644.3471  0.0117 -6.5659 3  352.2944 91  72503 303451134      441331        s-trans-Propenoic acid
  155665.0366  0.1443 -5.9452 3  911.6662153  72503 303762155      762056        s-trans-Propenoic acid
  155715.4836  0.1008 -5.9810 3  932.6959155  72503 303772156      772057        s-trans-Propenoic acid
  155738.0600  0.0037 -6.1303 3  133.5945 53  72503 30326 125      26 126        s-trans-Propenoic acid
  155738.0602  0.0037 -5.7147 3  133.5945 53  72503 30326 125      26 026        s-trans-Propenoic acid
  155738.0825  0.0037 -5.7147 3  133.5945 53  72503 30326 225      26 126        s-trans-Propenoic acid
  155738.0827  0.0037 -6.1303 3  133.5945 53  72503 30326 225      26 026        s-trans-Propenoic acid
  155765.5240  0.0031 -6.3363 3  100.3272 35  72503 30317 611      17 314        s-trans-Propenoic acid
  155866.0002  0.0015 -4.4027 3  111.9420 41  72503 30320 416      19 415        s-trans-Propenoic acid
  155890.7892  0.0024 -5.3681 3   85.3614 29  72503 30314 510      13 4 9        s-trans-Propenoic acid
  155894.5587  0.0119 -5.8170 3  377.0094 95  72503 303471136      471137        s-trans-Propenoic acid
  155923.0992  0.0030 -6.5328 3   72.2618 23  72503 30311 3 8      10 1 9        s-trans-Propenoic acid
  155956.2694  0.1022 -6.2618 3  638.7097127  72503 303631647      631648        s-trans-Propenoic acid
  155957.5129  0.0028 -5.1050 3  162.1072 49  72503 303241212      241113        s-trans-Propenoic acid
  155960.0155  0.0028 -5.1050 3  162.1071 49  72503 303241213      241114        s-trans-Propenoic acid
  155963.5443  0.0069 -5.1303 3  336.0650 89  72503 303441034      44 935        s-trans-Propenoic acid
  155972.9291  0.0158 -6.0084 3  432.4813 99  72503 303491733      481830        s-trans-Propenoic acid
  155995.3376  0.0058 -5.1335 3  370.4348 93  72503 303461334      461235        s-trans-Propenoic acid
  156098.4209  0.0158 -6.0077 3  432.4811 99  72503 303491732      481831        s-trans-Propenoic acid
  156159.9193  0.0595 -6.5477 3  726.0486129  72503 303642540      632637        s-trans-Propenoic acid
  156159.9372  0.0595 -6.5477 3  726.0486129  72503 303642539      632638        s-trans-Propenoic acid
  156260.8241  0.0480 -5.4067 3  567.3705119  72503 303591544      591445        s-trans-Propenoic acid
  156289.2114  0.0035 -5.6709 3  272.1920 79  72503 30339 831      39 832        s-trans-Propenoic acid
  156540.1322  0.0034 -5.0963 3  272.1836 79  72503 30339 831      39 732        s-trans-Propenoic acid
  156540.6211  0.0030 -5.1211 3  155.9653 47  72503 303231211      231112        s-trans-Propenoic acid
  156541.5817  0.0030 -5.1211 3  155.9653 47  72503 303231212      231113        s-trans-Propenoic acid
  156556.1295  0.0044 -6.5925 3   93.7571 33  72503 30316 511      16 214        s-trans-Propenoic acid
  156673.1684  0.0038 -5.0465 3  271.4091 75  72503 303371325      371226        s-trans-Propenoic acid
  156684.6344  0.0026 -5.6888 3  181.9693 63  72503 30331 427      31 428        s-trans-Propenoic acid
  156685.3507  0.0026 -5.2126 3  181.9693 63  72503 30331 427      31 328        s-trans-Propenoic acid
  156699.3727  0.0026 -5.2125 3  181.9693 63  72503 30331 527      31 428        s-trans-Propenoic acid
  156700.0891  0.0026 -5.6888 3  181.9693 63  72503 30331 527      31 328        s-trans-Propenoic acid
  156754.8092  0.0016 -4.4377 3  117.8650 41  72503 30320 713      19 712        s-trans-Propenoic acid
  156824.5977  0.0039 -5.0442 3  261.8057 73  72503 303361323      361224        s-trans-Propenoic acid
  156851.8547  0.0075 -5.8108 3  312.7636 83  72503 303411328      401427        s-trans-Propenoic acid
  156903.8320  0.0193 -6.0612 3  466.0918103  72503 303511834      501931        s-trans-Propenoic acid
  156926.6114  0.0036 -6.8253 3   90.7149 29  72503 30314 7 8      14 5 9        s-trans-Propenoic acid
  156951.9816  0.0194 -6.0609 3  466.0917103  72503 303511833      501932        s-trans-Propenoic acid
  157037.7672  0.0067 -6.0081 3  211.3536 65  72503 303321023      32 824        s-trans-Propenoic acid
  157047.7956  0.0031 -5.1407 3  150.0886 45  72503 303221210      221111        s-trans-Propenoic acid
  157048.1446  0.0031 -5.1407 3  150.0886 45  72503 303221211      221112        s-trans-Propenoic acid
  157298.2731  0.0042 -5.1025 3  324.9344 87  72503 303431133      431034        s-trans-Propenoic acid
  157440.3451  0.0058 -5.6064 3  180.7781 59  72503 30329 821      28 920        s-trans-Propenoic acid
  157487.4653  0.0032 -5.1642 3  144.4759 43  72503 3032112 9      211110        s-trans-Propenoic acid
  157487.5847  0.0032 -5.1642 3  144.4759 43  72503 303211210      211111        s-trans-Propenoic acid
  157515.3328  0.0060 -5.6972 3  229.5679 69  72503 303341024      331123        s-trans-Propenoic acid
  157598.4840  0.0683 -6.6236 3  770.8894133  72503 303662641      652738        s-trans-Propenoic acid
  157598.4901  0.0683 -6.6236 3  770.8894133  72503 303662640      652739        s-trans-Propenoic acid
  157618.5404  0.0049 -5.1185 3  353.1747 91  72503 303451234      451135        s-trans-Propenoic acid
  157836.7470  0.0036 -5.0904 3  297.9380 83  72503 303411032      41 933        s-trans-Propenoic acid
  157867.0011  0.0034 -5.1922 3  139.1258 41  72503 3032012 8      2011 9        s-trans-Propenoic acid
  157867.0392  0.0034 -5.1922 3  139.1258 41  72503 3032012 9      201110        s-trans-Propenoic acid
  157911.0449  0.0051 -6.3800 3  126.4176 43  72503 30321 814      21 615        s-trans-Propenoic acid
  157926.5962  0.0235 -6.1171 3  501.1726107  72503 303531935      522032        s-trans-Propenoic acid
  157944.7197  0.0235 -6.1170 3  501.1726107  72503 303531934      522033        s-trans-Propenoic acid
  157979.3962  0.0026 -5.3526 3   89.1517 31  72503 30315 511      14 410        s-trans-Propenoic acid
  157980.3865  0.0026 -5.6493 3  202.5826 67  72503 30333 528      33 529        s-trans-Propenoic acid
  157984.3143  0.0026 -5.1514 3  202.5824 67  72503 30333 528      33 429        s-trans-Propenoic acid
  158043.5277  0.0026 -5.1511 3  202.5826 67  72503 30333 628      33 529        s-trans-Propenoic acid
  158047.4554  0.0026 -5.6490 3  202.5824 67  72503 30333 628      33 429        s-trans-Propenoic acid
  158071.1368  0.0351 -5.3277 3  515.7404113  72503 303561442      561343        s-trans-Propenoic acid
  158139.6758  0.0105 -5.1590 3  376.9345 95  72503 303471136      471037        s-trans-Propenoic acid
  158164.1458  0.0029 -5.6421 3  247.7081 75  72503 30337 730      37 731        s-trans-Propenoic acid
  158179.1861  0.0024 -5.1592 3   75.4171 19  72503 303 9 7 3       8 6 2        s-trans-Propenoic acid
  158179.5891  0.0024 -5.1592 3   75.4171 19  72503 303 9 7 2       8 6 3        s-trans-Propenoic acid
  158192.9537  0.0036 -5.2258 3  134.0373 39  72503 3031912 7      1911 8        s-trans-Propenoic acid
  158192.9650  0.0036 -5.2258 3  134.0373 39  72503 3031912 8      1911 9        s-trans-Propenoic acid
  158235.5757  0.0029 -5.0960 3  247.7057 75  72503 30337 730      37 631        s-trans-Propenoic acid
  158246.5528  0.0579 -5.3568 3  544.8055115  72503 303571740      571641        s-trans-Propenoic acid
  158333.8891  0.1259 -5.6002 3  706.2241133  72503 303661947      661848        s-trans-Propenoic acid
  158368.6280  0.0036 -5.0361 3  261.7477 73  72503 303361324      361225        s-trans-Propenoic acid
  158471.2119  0.0037 -5.2662 3  129.2094 37  72503 3031812 6      1811 7        s-trans-Propenoic acid
  158471.2149  0.0037 -5.2662 3  129.2094 37  72503 3031812 7      1811 8        s-trans-Propenoic acid
  158535.8113  0.0031 -5.0859 3  272.1920 79  72503 30339 931      39 832        s-trans-Propenoic acid
  158544.0136  0.0109 -6.0843 3  324.8929 87  72503 303431133      421230        s-trans-Propenoic acid
  158557.0043  0.0026 -5.6350 3  224.5001 71  72503 30335 629      35 630        s-trans-Propenoic acid
  158575.0058  0.0026 -5.1140 3  224.4995 71  72503 30335 629      35 530        s-trans-Propenoic acid
  158580.7577  0.0015 -4.3806 3  117.4055 43  72503 30321 517      20 516        s-trans-Propenoic acid
  158628.1070  0.0035 -5.6922 3  297.9116 83  72503 303411032      41 833        s-trans-Propenoic acid
  158649.6715  0.0033 -5.8699 3  150.8377 57  72503 30328 226      28 227        s-trans-Propenoic acid
  158649.6763  0.0033 -5.4358 3  150.8377 57  72503 30328 226      28 127        s-trans-Propenoic acid
  158649.8859  0.0033 -5.4358 3  150.8377 57  72503 30328 326      28 227        s-trans-Propenoic acid
  158649.8907  0.0033 -5.8699 3  150.8377 57  72503 30328 326      28 127        s-trans-Propenoic acid
  158704.5559  0.0033 -6.7061 3   68.2598 21  72503 30310 2 8       9 1 9        s-trans-Propenoic acid
  158707.1099  0.0039 -5.3154 3  124.6410 35  72503 3031712 5      1711 6        s-trans-Propenoic acid
  158707.1106  0.0039 -5.3154 3  124.6410 35  72503 3031712 6      1711 7        s-trans-Propenoic acid
  158728.7953  0.0040 -5.5588 3  203.4488 43  72503 3032120 1      2020 0        s-trans-Propenoic acid
  158728.7953  0.0040 -5.5588 3  203.4488 43  72503 3032120 2      2020 1        s-trans-Propenoic acid
  158751.0895  0.0015 -4.9438 3  119.5958 45  72503 30322 319      21 418        s-trans-Propenoic acid
  158786.7321  0.0031 -5.6583 3  272.1836 79  72503 30339 931      39 732        s-trans-Propenoic acid
  158791.1453  0.0026 -5.1129 3  224.5001 71  72503 30335 729      35 630        s-trans-Propenoic acid
  158804.8015  0.0016 -4.6843 3  122.7926 51  72503 30325 025      24 124        s-trans-Propenoic acid
  158804.8021  0.0016 -4.2874 3  122.7926 51  72503 30325 125      24 124        s-trans-Propenoic acid
  158804.8028  0.0016 -4.2874 3  122.7926 51  72503 30325 025      24 024        s-trans-Propenoic acid
  158804.8033  0.0016 -4.6843 3  122.7926 51  72503 30325 125      24 024        s-trans-Propenoic acid
  158809.1467  0.0026 -5.6337 3  224.4995 71  72503 30335 729      35 530        s-trans-Propenoic acid
  158810.9937  0.0035 -5.2493 3  194.4351 43  72503 3032119 2      2019 1        s-trans-Propenoic acid
  158810.9937  0.0035 -5.2493 3  194.4351 43  72503 3032119 3      2019 2        s-trans-Propenoic acid
  158815.6270  0.0015 -4.7522 3  122.2740 49  72503 30324 123      23 222        s-trans-Propenoic acid
  158815.7306  0.0015 -4.3111 3  122.2740 49  72503 30324 223      23 222        s-trans-Propenoic acid
  158815.8476  0.0015 -4.3111 3  122.2740 49  72503 30324 123      23 122        s-trans-Propenoic acid
  158815.9512  0.0015 -4.7522 3  122.2740 49  72503 30324 223      23 122        s-trans-Propenoic acid
  158873.5981  0.0015 -4.8343 3  121.2203 47  72503 30323 221      22 320        s-trans-Propenoic acid
  158881.2272  0.0015 -4.3341 3  121.2203 47  72503 30323 321      22 320        s-trans-Propenoic acid
  158888.8173  0.0015 -4.3340 3  121.2198 47  72503 30323 221      22 220        s-trans-Propenoic acid
  158896.4464  0.0015 -4.8342 3  121.2198 47  72503 30323 321      22 220        s-trans-Propenoic acid
  158905.4213  0.0031 -5.0658 3  185.8860 43  72503 3032118 3      2018 2        s-trans-Propenoic acid
  158905.4213  0.0031 -5.0658 3  185.8860 43  72503 3032118 4      2018 3        s-trans-Propenoic acid
  158905.5068  0.0041 -5.3765 3  120.3312 33  72503 3031612 4      1611 5        s-trans-Propenoic acid
  158905.5070  0.0041 -5.3765 3  120.3312 33  72503 3031612 5      1611 6        s-trans-Propenoic acid
  158931.3252  0.0028 -5.0923 3  247.7081 75  72503 30337 830      37 731        s-trans-Propenoic acid
  159002.7550  0.0028 -5.6379 3  247.7057 75  72503 30337 830      37 631        s-trans-Propenoic acid
  159015.2027  0.0028 -4.9348 3  177.8018 43  72503 3032117 4      2017 3        s-trans-Propenoic acid
  159015.2027  0.0028 -4.9348 3  177.8018 43  72503 3032117 5      2017 4        s-trans-Propenoic acid
  159031.1023  0.0282 -6.1761 3  537.7228111  72503 303552036      542133        s-trans-Propenoic acid
  159031.8981  0.0022 -5.2324 3   77.7341 23  72503 30311 6 6      10 5 5        s-trans-Propenoic acid
  159032.1189  0.0015 -4.3559 3  119.5958 45  72503 30322 419      21 418        s-trans-Propenoic acid
  159037.8117  0.0282 -6.1760 3  537.7228111  72503 303552035      542134        s-trans-Propenoic acid
  159059.6828  0.0780 -6.7027 3  817.1928137  72503 303682742      672839        s-trans-Propenoic acid
  159059.6849  0.0780 -6.7027 3  817.1928137  72503 303682741      672840        s-trans-Propenoic acid
  159070.8452  0.0043 -5.4549 3  116.2793 31  72503 3031512 3      1511 4        s-trans-Propenoic acid
  159070.8452  0.0043 -5.4549 3  116.2793 31  72503 3031512 4      1511 5        s-trans-Propenoic acid
  159131.7769  0.0243 -5.2590 3  466.7831107  72503 303531340      531241        s-trans-Propenoic acid
  159144.5028  0.0024 -4.8329 3  170.1834 43  72503 3032116 5      2016 4        s-trans-Propenoic acid
  159144.5028  0.0024 -4.8329 3  170.1834 43  72503 3032116 6      2016 5        s-trans-Propenoic acid
  159154.3484  0.0036 -5.0317 3  252.3979 71  72503 303351322      351223        s-trans-Propenoic acid
  159193.3725  0.0161 -5.2023 3  420.5107101  72503 303501238      501139        s-trans-Propenoic acid
  159207.1964  0.0045 -5.5607 3  112.4843 29  72503 3031412 2      1411 3        s-trans-Propenoic acid
  159207.1964  0.0045 -5.5607 3  112.4843 29  72503 3031412 3      1411 4        s-trans-Propenoic acid
  159248.1687  0.0022 -5.2315 3   77.7277 23  72503 30311 6 5      10 5 6        s-trans-Propenoic acid
  159264.2912  0.0015 -4.3545 3  119.5787 45  72503 30322 319      21 318        s-trans-Propenoic acid
  159273.3558  0.0027 -5.3289 3   93.2222 33  72503 30316 512      15 411        s-trans-Propenoic acid
  159298.9819  0.0021 -4.7498 3  163.0316 43  72503 3032115 6      2015 5        s-trans-Propenoic acid
  159298.9819  0.0021 -4.7498 3  163.0316 43  72503 3032115 7      2015 6        s-trans-Propenoic acid
  159310.8359  0.0078 -5.0821 3  329.0967 85  72503 303421428      421329        s-trans-Propenoic acid
  159318.2961  0.0046 -5.7167 3  108.9456 27  72503 3031312 1      1311 2        s-trans-Propenoic acid
  159318.2961  0.0046 -5.7167 3  108.9456 27  72503 3031312 2      1311 3        s-trans-Propenoic acid
  159407.5712  0.0048 -5.9965 3  105.6625 25  72503 3031212 0      1211 1        s-trans-Propenoic acid
  159407.5712  0.0048 -5.9965 3  105.6625 25  72503 3031212 1      1211 2        s-trans-Propenoic acid
  159486.5121  0.0019 -4.6802 3  156.3478 43  72503 3032114 7      2014 6        s-trans-Propenoic acid
  159486.5121  0.0019 -4.6802 3  156.3478 43  72503 3032114 8      2014 7        s-trans-Propenoic acid
  159545.3206  0.0015 -4.9392 3  119.5787 45  72503 30322 419      21 318        s-trans-Propenoic acid
  159556.1247  0.0040 -5.7366 3  324.8591 87  72503 303431133      43 934        s-trans-Propenoic acid
  159608.6893  0.0062 -5.1344 3  382.6618 95  72503 303471335      471236        s-trans-Propenoic acid
  159635.0966  0.1207 -5.8894 3  885.5286151  72503 303752055      751956        s-trans-Propenoic acid
  159718.3474  0.0017 -4.6206 3  150.1336 43  72503 3032113 9      2013 8        s-trans-Propenoic acid
  159718.3475  0.0017 -4.6206 3  150.1336 43  72503 3032113 8      2013 7        s-trans-Propenoic acid
  159823.7723  0.0445 -6.4952 3  461.6381107  72503 303531341      521438        s-trans-Propenoic acid
  159836.9024  0.0122 -6.6021 3  376.8779 95  72503 303471136      461333        s-trans-Propenoic acid
  159848.8822  0.0052 -5.7764 3  296.7286 81  72503 303401229      391326        s-trans-Propenoic acid
  159866.6251  0.1938 -5.8948 3  890.8534151  72503 303752154      752055        s-trans-Propenoic acid
  160004.8614  0.0035 -5.0273 3  252.3663 71  72503 303351323      351224        s-trans-Propenoic acid
  160011.1361  0.0015 -4.5689 3  144.3917 43  72503 303211210      2012 9        s-trans-Propenoic acid
  160011.1390  0.0015 -4.5689 3  144.3917 43  72503 3032112 9      2012 8        s-trans-Propenoic acid
  160106.3010  0.0037 -6.6557 3  104.9380 37  72503 30318 612      18 415        s-trans-Propenoic acid
  160111.2161  0.0027 -5.2944 3   97.5560 35  72503 30317 513      16 412        s-trans-Propenoic acid
  160156.9367  0.0069 -5.7551 3  286.5194 79  72503 303391227      381326        s-trans-Propenoic acid
  160205.3732  0.0336 -6.2382 3  575.7412115  72503 303572137      562234        s-trans-Propenoic acid
  160207.0060  0.0073 -5.9174 3  261.3706 75  72503 303371127      37 928        s-trans-Propenoic acid
  160207.8213  0.0336 -6.2382 3  575.7412115  72503 303572136      562235        s-trans-Propenoic acid
  160276.2318  0.1143 -6.0013 3  953.9041157  72503 303782157      782058        s-trans-Propenoic acid
  160332.8380  0.2025 -6.4852 3  775.8005141  72503 303701852      701853        s-trans-Propenoic acid
  160390.5906  0.0014 -4.5235 3  139.1258 43  72503 303211111      201110        s-trans-Propenoic acid
  160390.6747  0.0014 -4.5235 3  139.1258 43  72503 303211110      2011 9        s-trans-Propenoic acid
  160508.3670  0.1207 -6.8341 3  609.8798125  72503 303621548      611645        s-trans-Propenoic acid
  160540.8872  0.0885 -6.7850 3  864.9577141  72503 303702843      692940        s-trans-Propenoic acid
  160540.8879  0.0885 -6.7850 3  864.9577141  72503 303702842      692941        s-trans-Propenoic acid
  160600.9030  0.0101 -6.5501 3  364.4117 93  72503 303461135      451332        s-trans-Propenoic acid
  160613.7863  0.0080 -5.1154 3  375.6383 93  72503 303461433      461334        s-trans-Propenoic acid
  160623.1033  0.1195 -5.7781 3  819.7752145  72503 303721953      721854        s-trans-Propenoic acid
  160704.4395  0.0032 -6.6354 3   98.5350 33  72503 30316 7 9      16 512        s-trans-Propenoic acid
  160828.7632  0.0045 -5.7893 3  281.5269 79  72503 303391129      381226        s-trans-Propenoic acid
  160876.7421  0.0083 -5.1283 3  387.9858 95  72503 303471434      471335        s-trans-Propenoic acid
  160881.1629  0.0027 -5.2489 3  102.1337 37  72503 30318 514      17 413        s-trans-Propenoic acid
  160898.2302  0.0014 -4.4832 3  134.3420 43  72503 303211012      201011        s-trans-Propenoic acid
  160900.1043  0.0014 -4.4832 3  134.3420 43  72503 303211011      201010        s-trans-Propenoic acid
  160901.2635  0.0046 -5.6875 3  308.4744 85  72503 30342 933      42 934        s-trans-Propenoic acid
  160917.6688  0.0032 -6.7165 3   94.4213 31  72503 30315 7 8      15 511        s-trans-Propenoic acid
  161060.0413  0.0076 -5.1008 3  363.5455 91  72503 303451432      451333        s-trans-Propenoic acid
  161088.5084  0.0035 -5.0226 3  243.2811 69  72503 303341321      341222        s-trans-Propenoic acid
  161109.6500  0.0029 -5.7397 3  169.4257 61  72503 30330 327      30 328        s-trans-Propenoic acid
  161109.6992  0.0029 -5.2866 3  169.4257 61  72503 30330 327      30 228        s-trans-Propenoic acid
  161111.0909  0.0029 -5.2866 3  169.4257 61  72503 30330 427      30 328        s-trans-Propenoic acid
  161111.1401  0.0029 -5.7397 3  169.4257 61  72503 30330 427      30 228        s-trans-Propenoic acid
  161192.4386  0.0031 -6.5666 3  102.8967 35  72503 30317 710      17 513        s-trans-Propenoic acid
  161337.1539  0.0018 -4.3898 3  115.3459 41  72503 30320 614      19 613        s-trans-Propenoic acid
  161360.4043  0.0045 -5.0928 3  308.4591 85  72503 30342 933      42 834        s-trans-Propenoic acid
  161438.4495  0.0396 -6.3034 3  615.2269119  72503 303592238      582335        s-trans-Propenoic acid
  161439.3313  0.0396 -6.3034 3  615.2269119  72503 303592237      582336        s-trans-Propenoic acid
  161458.0643  0.0015 -4.3623 3  117.1411 43  72503 30321 417      20 416        s-trans-Propenoic acid
  161514.9158  0.0323 -5.2332 3  465.7062105  72503 303521636      521537        s-trans-Propenoic acid
  161541.9541  0.0034 -5.0202 3  243.2644 69  72503 303341322      341223        s-trans-Propenoic acid
  161554.9814  0.0033 -6.8104 3   90.5614 29  72503 30314 7 7      14 510        s-trans-Propenoic acid
  161597.6847  0.0014 -4.4470 3  130.0499 43  72503 30321 913      20 912        s-trans-Propenoic acid
  161628.5594  0.0014 -4.4468 3  130.0507 43  72503 30321 912      20 911        s-trans-Propenoic acid
  161714.7294  0.0061 -5.8121 3  341.2674 89  72503 303441233      441034        s-trans-Propenoic acid
  161763.3202  0.1714 -6.0782 3 1002.7988161  72503 303802258      802159        s-trans-Propenoic acid
  161861.8201  0.0687 -6.1309 3  583.3948121  72503 303601545      601546        s-trans-Propenoic acid
  161961.8702  0.0161 -5.1401 3  393.8129 95  72503 303471532      471433        s-trans-Propenoic acid
  161968.4137  0.0086 -5.1391 3  400.5798 97  72503 303481435      481336        s-trans-Propenoic acid
  161970.0871  0.0039 -6.1075 3  139.3070 55  72503 30327 126      27 127        s-trans-Propenoic acid
  161970.0872  0.0039 -5.6927 3  139.3070 55  72503 30327 126      27 027        s-trans-Propenoic acid
  161970.0975  0.0039 -5.6927 3  139.3070 55  72503 30327 226      27 127        s-trans-Propenoic acid
  161970.0976  0.0039 -6.1075 3  139.3070 55  72503 30327 226      27 027        s-trans-Propenoic acid
  161989.2458  0.0025 -5.1943 3  106.9352 39  72503 30319 515      18 414        s-trans-Propenoic acid
  162013.5128  0.0016 -5.0589 3  122.6952 45  72503 30322 418      21 517        s-trans-Propenoic acid
  162070.8313  0.0072 -5.0851 3  351.7153 89  72503 303441431      441332        s-trans-Propenoic acid
  162180.8920  0.0072 -5.8374 3  329.7212 87  72503 303431232      431033        s-trans-Propenoic acid
  162329.4695  0.0015 -4.3737 3  120.1250 43  72503 30321 616      20 615        s-trans-Propenoic acid
  162481.6461  0.0067 -5.7923 3  323.4478 85  72503 303421330      411427        s-trans-Propenoic acid
  162515.6388  0.0014 -4.4142 3  126.2640 43  72503 30321 814      20 813        s-trans-Propenoic acid
  162612.8810  0.0015 -4.3673 3  113.6223 41  72503 30320 515      19 514        s-trans-Propenoic acid
  162616.0262  0.0222 -6.2639 3  389.6825 97  72503 303481237      471334        s-trans-Propenoic acid
  162708.1311  0.1080 -5.6692 3  756.6485139  72503 303691851      691752        s-trans-Propenoic acid
  162718.6024  0.0030 -6.5110 3  107.5001 37  72503 30318 711      18 514        s-trans-Propenoic acid
  162721.1248  0.0463 -6.3718 3  656.1790123  72503 303612339      602436        s-trans-Propenoic acid
  162721.4388  0.0463 -6.3718 3  656.1790123  72503 303612338      602437        s-trans-Propenoic acid
  162724.8416  0.0034 -5.0163 3  234.4496 67  72503 303331320      331221        s-trans-Propenoic acid
  162799.4434  0.3745 -6.7520 3  927.2655155  72503 303772057      772058        s-trans-Propenoic acid
  162847.2991  0.0036 -6.3014 3  104.8465 37  72503 30318 612      18 315        s-trans-Propenoic acid
  162873.5766  0.0015 -4.4123 3  126.2748 43  72503 30321 813      20 812        s-trans-Propenoic acid
  162958.8855  0.0034 -5.0151 3  234.4411 67  72503 303331321      331222        s-trans-Propenoic acid
  162990.4969  0.1259 -6.1126 3 1024.9014163  72503 303812259      812160        s-trans-Propenoic acid
  162998.9567  0.1717 -5.7102 3  785.9561141  72503 303702050      701951        s-trans-Propenoic acid
  163078.7093  0.0027 -5.6661 3  189.3460 65  72503 30332 428      32 429        s-trans-Propenoic acid
  163079.0631  0.0027 -5.1933 3  189.3460 65  72503 30332 428      32 329        s-trans-Propenoic acid
  163086.3495  0.0027 -5.1933 3  189.3460 65  72503 30332 528      32 429        s-trans-Propenoic acid
  163086.7033  0.0027 -5.6661 3  189.3460 65  72503 30332 528      32 329        s-trans-Propenoic acid
  163191.5399  0.0023 -6.2216 3   76.4209 25  72503 30312 4 8      11 2 9        s-trans-Propenoic acid
  163236.1188  0.0015 -4.3870 3  122.9864 43  72503 30321 715      20 714        s-trans-Propenoic acid
  163274.2413  0.0054 -5.1114 3  364.9886 93  72503 303461235      461136        s-trans-Propenoic acid
  163452.0155  0.0066 -5.0547 3  317.9956 83  72503 303411427      411328        s-trans-Propenoic acid
  163452.5413  0.0054 -5.7881 3  352.9801 91  72503 303451234      451035        s-trans-Propenoic acid
  163492.7679  0.0067 -5.0688 3  340.1543 87  72503 303431430      431331        s-trans-Propenoic acid
  163502.3457  0.0867 -5.4380 3  614.1878123  72503 303611843      611744        s-trans-Propenoic acid
  163702.6123  0.0044 -5.0913 3  336.1103 89  72503 303441134      441035        s-trans-Propenoic acid
  163792.5538  0.0023 -5.1341 3  111.9420 41  72503 30320 516      19 415        s-trans-Propenoic acid
  163804.6723  0.0027 -5.2112 3  131.1957 47  72503 30323 518      22 617        s-trans-Propenoic acid
  163852.4086  0.0087 -5.8247 3  351.6559 89  72503 303441431      431528        s-trans-Propenoic acid
  163968.8340  0.0088 -5.1475 3  413.4118 99  72503 303491436      491337        s-trans-Propenoic acid
  163972.4087  0.0063 -6.1861 3  160.9887 53  72503 30326 918      26 719        s-trans-Propenoic acid
  164012.2620  0.0033 -5.6411 3  282.0906 81  72503 30340 832      40 833        s-trans-Propenoic acid
  164045.9026  0.0538 -6.4434 3  698.5963127  72503 303632440      622537        s-trans-Propenoic acid
  164046.0133  0.0538 -6.4434 3  698.5963127  72503 303632439      622538        s-trans-Propenoic acid
  164077.2875  0.0067 -5.1333 3  395.1068 97  72503 303481336      481237        s-trans-Propenoic acid
  164092.2539  0.0082 -5.9584 3  313.5381 85  72503 303421132      411229        s-trans-Propenoic acid
  164131.1706  0.0034 -5.0125 3  225.8992 65  72503 303321319      321220        s-trans-Propenoic acid
  164153.0777  0.0033 -5.0766 3  282.0859 81  72503 30340 832      40 733        s-trans-Propenoic acid
  164248.0833  0.0033 -5.0119 3  225.8950 65  72503 303321320      321221        s-trans-Propenoic acid
  164271.3758  0.0021 -5.3644 3   81.5599 27  72503 30313 5 8      12 4 9        s-trans-Propenoic acid
  164406.4296  0.0207 -6.5986 3  393.8129 97  72503 303481236      471433        s-trans-Propenoic acid
  164499.1860  0.0026 -5.6266 3  210.5859 69  72503 30334 529      34 530        s-trans-Propenoic acid
  164501.1898  0.0026 -5.1332 3  210.5858 69  72503 30334 529      34 430        s-trans-Propenoic acid
  164504.9820  0.0026 -5.0608 3   76.3977 17  72503 303 8 8 1       7 7 0        s-trans-Propenoic acid
  164504.9823  0.0026 -5.0608 3   76.3977 17  72503 303 8 8 0       7 7 1        s-trans-Propenoic acid
  164533.0651  0.0026 -5.1331 3  210.5859 69  72503 30334 629      34 530        s-trans-Propenoic acid
  164535.0689  0.0026 -5.6264 3  210.5858 69  72503 30334 629      34 430        s-trans-Propenoic acid
  164565.1220  0.0068 -5.7207 3  347.4908 91  72503 303451035      451036        s-trans-Propenoic acid
  164588.9407  0.0036 -5.0766 3  308.4744 85  72503 303421033      42 934        s-trans-Propenoic acid
  164619.5044  0.0028 -6.7273 3   67.6336 19  72503 303 9 4 6       8 1 7        s-trans-Propenoic acid
  164686.1135  0.0110 -5.8665 3  381.3453 93  72503 303461532      451629        s-trans-Propenoic acid
  164742.0679  0.0052 -5.4698 3  162.8494 55  72503 30327 720      26 819        s-trans-Propenoic acid
  164805.3793  0.0051 -5.8133 3  291.8617 81  72503 303401130      391227        s-trans-Propenoic acid
  164907.2538  0.0034 -5.8481 3  157.1733 59  72503 30329 227      29 228        s-trans-Propenoic acid
  164907.2560  0.0034 -5.4155 3  157.1733 59  72503 30329 227      29 128        s-trans-Propenoic acid
  164907.3568  0.0034 -5.4155 3  157.1733 59  72503 30329 327      29 228        s-trans-Propenoic acid
  164907.3590  0.0034 -5.8481 3  157.1733 59  72503 30329 327      29 128        s-trans-Propenoic acid
  165019.1994  0.2403 -6.0290 3  980.9009159  72503 303792257      792158        s-trans-Propenoic acid
  165030.3325  0.0016 -4.6442 3  128.0897 53  72503 30326 026      25 125        s-trans-Propenoic acid
  165030.3328  0.0016 -4.2481 3  128.0897 53  72503 30326 126      25 125        s-trans-Propenoic acid
  165030.3331  0.0016 -4.2481 3  128.0897 53  72503 30326 026      25 025        s-trans-Propenoic acid
  165030.3334  0.0016 -4.6442 3  128.0897 53  72503 30326 126      25 025        s-trans-Propenoic acid
  165039.6976  0.0015 -4.7091 3  127.5715 51  72503 30325 124      24 223        s-trans-Propenoic acid
  165039.7460  0.0015 -4.2708 3  127.5715 51  72503 30325 224      24 223        s-trans-Propenoic acid
  165039.8012  0.0015 -4.2708 3  127.5715 51  72503 30325 124      24 123        s-trans-Propenoic acid
  165039.8496  0.0015 -4.7091 3  127.5715 51  72503 30325 224      24 123        s-trans-Propenoic acid
  165048.0816  0.0036 -5.6674 3  308.4591 85  72503 303421033      42 834        s-trans-Propenoic acid
  165060.4736  0.0042 -5.7122 3  336.0650 89  72503 303441134      44 935        s-trans-Propenoic acid
  165094.7725  0.0015 -4.7866 3  126.5200 49  72503 30324 222      23 321        s-trans-Propenoic acid
  165098.5626  0.0015 -4.2929 3  126.5200 49  72503 30324 322      23 321        s-trans-Propenoic acid
  165102.4016  0.0015 -4.2928 3  126.5198 49  72503 30324 222      23 221        s-trans-Propenoic acid
  165106.1917  0.0015 -4.7865 3  126.5198 49  72503 30324 322      23 221        s-trans-Propenoic acid
  165107.4154  0.0015 -4.8868 3  124.9005 47  72503 30323 320      22 419        s-trans-Propenoic acid
  165109.2540  0.0015 -4.3353 3  122.6952 45  72503 30322 518      21 517        s-trans-Propenoic acid
  165179.2935  0.0062 -5.0526 3  328.8676 85  72503 303421429      421330        s-trans-Propenoic acid
  165232.4618  0.0028 -5.6167 3  256.9719 77  72503 30338 731      38 732        s-trans-Propenoic acid
  165244.5820  0.0086 -5.8641 3  318.3368 85  72503 303421231      421032        s-trans-Propenoic acid
  165258.7985  0.0015 -4.3136 3  124.9005 47  72503 30323 420      22 419        s-trans-Propenoic acid
  165271.2843  0.0028 -5.0781 3  256.9706 77  72503 30338 731      38 632        s-trans-Propenoic acid
  165276.0920  0.0026 -5.6115 3  233.1324 73  72503 30336 630      36 631        s-trans-Propenoic acid
  165285.5717  0.0026 -5.0964 3  233.1320 73  72503 30336 630      36 531        s-trans-Propenoic acid
  165319.6202  0.0900 -5.5647 3  696.1568133  72503 303661749      661650        s-trans-Propenoic acid
  165354.1757  0.0034 -5.0111 3  217.6264 63  72503 303311318      311219        s-trans-Propenoic acid
  165356.6440  0.0031 -5.0706 3  282.0906 81  72503 30340 932      40 833        s-trans-Propenoic acid
  165367.1300  0.0137 -5.9139 3  412.5117 97  72503 303481633      471730        s-trans-Propenoic acid
  165369.1208  0.0064 -5.1052 3  347.4639 91  72503 303451035      45 936        s-trans-Propenoic acid
  165388.4448  0.0015 -4.3129 3  124.8912 47  72503 30323 320      22 319        s-trans-Propenoic acid
  165406.1567  0.0026 -5.0958 3  233.1324 73  72503 30336 730      36 631        s-trans-Propenoic acid
  165406.7288  0.0621 -6.5181 3  742.4780131  72503 303652541      642638        s-trans-Propenoic acid
  165406.7675  0.0621 -6.5181 3  742.4780131  72503 303652540      642639        s-trans-Propenoic acid
  165410.6545  0.0034 -5.0108 3  217.6244 63  72503 303311319      311220        s-trans-Propenoic acid
  165415.6364  0.0026 -5.6108 3  233.1320 73  72503 30336 730      36 531        s-trans-Propenoic acid
  165497.4597  0.0031 -5.6339 3  282.0859 81  72503 30340 932      40 733        s-trans-Propenoic acid
  165539.8279  0.0015 -4.8844 3  124.8912 47  72503 30323 420      22 319        s-trans-Propenoic acid
  165674.1853  0.0027 -5.0761 3  256.9719 77  72503 30338 831      38 732        s-trans-Propenoic acid
  165680.1764  0.0031 -6.4703 3  112.3385 39  72503 30319 712      19 515        s-trans-Propenoic acid
  165707.0511  0.0024 -5.1238 3   77.6984 21  72503 30310 7 4       9 6 3        s-trans-Propenoic acid
  165709.0645  0.0024 -5.1238 3   77.6983 21  72503 30310 7 3       9 6 4        s-trans-Propenoic acid
  165713.0079  0.0027 -5.6143 3  256.9706 77  72503 30338 831      38 632        s-trans-Propenoic acid
  165807.9497  0.0017 -4.3732 3  123.0938 43  72503 30321 714      20 713        s-trans-Propenoic acid
  165840.1623  0.0447 -6.0161 3  530.7863115  72503 303571443      571444        s-trans-Propenoic acid
  165959.9757  0.0141 -5.9107 3  412.5107 97  72503 303481632      471731        s-trans-Propenoic acid
  165982.0002  0.0048 -6.4291 3  120.7275 41  72503 30320 813      20 614        s-trans-Propenoic acid
  166071.5057  0.0170 -5.9654 3  445.1523101  72503 303501734      491831        s-trans-Propenoic acid
  166072.2550  0.0062 -5.8683 3  302.5288 83  72503 303411131      401228        s-trans-Propenoic acid
  166120.5836  0.0118 -5.8585 3  381.3426 93  72503 303461531      451630        s-trans-Propenoic acid
  166180.8777  0.0022 -5.2021 3   80.5582 25  72503 30312 6 7      11 5 6        s-trans-Propenoic acid
  166271.5364  0.0045 -5.5490 3  218.2187 45  72503 3032221 1      2121 0        s-trans-Propenoic acid
  166271.5364  0.0045 -5.5490 3  218.2187 45  72503 3032221 2      2121 1        s-trans-Propenoic acid
  166309.2400  0.0172 -5.9641 3  445.1520101  72503 303501733      491832        s-trans-Propenoic acid
  166309.3363  0.0070 -5.6865 3  261.7477 75  72503 303371126      361225        s-trans-Propenoic acid
  166353.8091  0.0040 -5.2380 3  208.7434 45  72503 3032220 2      2120 1        s-trans-Propenoic acid
  166353.8091  0.0040 -5.2380 3  208.7434 45  72503 3032220 3      2120 2        s-trans-Propenoic acid
  166426.3625  0.0034 -5.0119 3  209.6287 61  72503 303301317      301218        s-trans-Propenoic acid
  166447.4649  0.0036 -5.0531 3  199.7325 45  72503 3032219 3      2119 2        s-trans-Propenoic acid
  166447.4649  0.0036 -5.0531 3  199.7325 45  72503 3032219 4      2119 3        s-trans-Propenoic acid
  166452.7174  0.0034 -5.0117 3  209.6277 61  72503 303301318      301219        s-trans-Propenoic acid
  166507.3113  0.0021 -5.0720 3  117.1411 43  72503 30321 517      20 416        s-trans-Propenoic acid
  166555.2555  0.0032 -4.9206 3  191.1865 45  72503 3032218 4      2118 3        s-trans-Propenoic acid
  166555.2555  0.0032 -4.9206 3  191.1865 45  72503 3032218 5      2118 4        s-trans-Propenoic acid
  166613.4342  0.0283 -6.7409 3  447.4101105  72503 303521240      511437        s-trans-Propenoic acid
  166680.7916  0.0028 -4.8172 3  183.1060 45  72503 3032217 5      2117 4        s-trans-Propenoic acid
  166680.7916  0.0028 -4.8172 3  183.1060 45  72503 3032217 6      2117 5        s-trans-Propenoic acid
  166745.2359  0.0022 -5.2000 3   80.5418 25  72503 30312 6 6      11 5 7        s-trans-Propenoic acid
  166783.1144  0.0063 -5.5975 3  208.2322 65  72503 30332 923      311022        s-trans-Propenoic acid
  166785.1787  0.0057 -5.0327 3  307.2098 81  72503 303401426      401327        s-trans-Propenoic acid
  166798.7048  0.0712 -6.5960 3  787.8231135  72503 303672642      662739        s-trans-Propenoic acid
  166798.7181  0.0712 -6.5960 3  787.8231135  72503 303672641      662740        s-trans-Propenoic acid
  166828.8933  0.0024 -4.7327 3  175.4919 45  72503 3032216 6      2116 5        s-trans-Propenoic acid
  166828.8933  0.0024 -4.7327 3  175.4919 45  72503 3032216 7      2116 6        s-trans-Propenoic acid
  166864.5737  0.0207 -6.0204 3  479.2654105  72503 303521835      511932        s-trans-Propenoic acid
  166902.6565  0.0072 -6.0482 3  202.6649 63  72503 303311022      31 823        s-trans-Propenoic acid
  166909.1129  0.0092 -5.1536 3  426.4736101  72503 303501437      501338        s-trans-Propenoic acid
  166929.1921  0.0052 -5.7653 3  364.8666 93  72503 303461235      461036        s-trans-Propenoic acid
  166957.5575  0.0208 -6.0199 3  479.2652105  72503 303521834      511933        s-trans-Propenoic acid
  167002.6738  0.0057 -5.0370 3  317.8590 83  72503 303411428      411329        s-trans-Propenoic acid
  167006.1259  0.0021 -4.6615 3  168.3453 45  72503 3032215 7      2115 6        s-trans-Propenoic acid
  167006.1259  0.0021 -4.6615 3  168.3453 45  72503 3032215 8      2115 7        s-trans-Propenoic acid
  167062.7599  0.0015 -4.3237 3  122.5268 45  72503 30322 418      21 417        s-trans-Propenoic acid
  167098.7609  0.0109 -5.7702 3  389.2352 97  72503 303481137      481138        s-trans-Propenoic acid
  167194.7407  0.0101 -5.8059 3  351.6487 89  72503 303441430      431529        s-trans-Propenoic acid
  167221.6465  0.0019 -4.6004 3  161.6677 45  72503 3032214 8      2114 7        s-trans-Propenoic acid
  167221.6465  0.0019 -4.6004 3  161.6677 45  72503 3032214 9      2114 8        s-trans-Propenoic acid
  167370.9978  0.0035 -5.0149 3  201.9036 59  72503 303291316      291217        s-trans-Propenoic acid
  167382.8585  0.0035 -5.0149 3  201.9032 59  72503 303291317      291218        s-trans-Propenoic acid
  167413.4507  0.0030 -5.7186 3  176.3850 63  72503 30331 328      31 329        s-trans-Propenoic acid
  167413.4741  0.0030 -5.2678 3  176.3850 63  72503 30331 328      31 229        s-trans-Propenoic acid
  167414.1671  0.0030 -5.2678 3  176.3850 63  72503 30331 428      31 329        s-trans-Propenoic acid
  167414.1905  0.0030 -5.7186 3  176.3850 63  72503 30331 428      31 229        s-trans-Propenoic acid
  167488.6025  0.0017 -4.5472 3  155.4613 45  72503 303221310      2113 9        s-trans-Propenoic acid
  167488.6028  0.0017 -4.5472 3  155.4613 45  72503 3032213 9      2113 8        s-trans-Propenoic acid
  167523.2693  0.0041 -5.3264 3  146.3329 51  72503 30325 619      24 718        s-trans-Propenoic acid
  167582.0004  0.2272 -5.8326 3  870.2998149  72503 303742153      742054        s-trans-Propenoic acid
  167726.1434  0.0514 -5.2957 3  529.3501113  72503 303561739      561640        s-trans-Propenoic acid
  167760.3239  0.0250 -6.0785 3  514.8493109  72503 303541936      532033        s-trans-Propenoic acid
  167795.9321  0.0250 -6.0783 3  514.8492109  72503 303541935      532034        s-trans-Propenoic acid
  167814.6776  0.0133 -5.1007 3  381.2861 93  72503 303461531      461432        s-trans-Propenoic acid
  167826.5651  0.0015 -4.5003 3  149.7291 45  72503 303221211      211210        s-trans-Propenoic acid
  167826.5744  0.0015 -4.5003 3  149.7291 45  72503 303221210      2112 9        s-trans-Propenoic acid
  167907.7749  0.0699 -5.4665 3  638.3110127  72503 303631647      631548        s-trans-Propenoic acid
  167939.2849  0.0283 -5.9177 3  480.8876109  72503 303541341      541342        s-trans-Propenoic acid
  168097.5109  0.1988 -6.2226 3 1098.5250169  72503 303842361      842262        s-trans-Propenoic acid
  168200.8481  0.0041 -5.6723 3  145.2271 57  72503 30328 127      28 028        s-trans-Propenoic acid
  168200.8481  0.0041 -6.0865 3  145.2271 57  72503 30328 127      28 128        s-trans-Propenoic acid
  168200.8529  0.0041 -5.6723 3  145.2271 57  72503 30328 227      28 128        s-trans-Propenoic acid
  168200.8530  0.0041 -6.0865 3  145.2271 57  72503 30328 227      28 028        s-trans-Propenoic acid
  168205.3906  0.0036 -5.0202 3  194.4494 57  72503 303281315      281216        s-trans-Propenoic acid
  168210.5286  0.0036 -5.0202 3  194.4492 57  72503 303281316      281217        s-trans-Propenoic acid
  168217.8419  0.0812 -6.6771 3  834.6305139  72503 303692743      682840        s-trans-Propenoic acid
  168217.8465  0.0812 -6.6771 3  834.6305139  72503 303692742      682841        s-trans-Propenoic acid
  168235.6467  0.1421 -6.3312 3  714.2373135  72503 303671750      671751        s-trans-Propenoic acid
  168266.0052  0.0014 -4.4587 3  144.4759 45  72503 303221112      211111        s-trans-Propenoic acid
  168266.2442  0.0014 -4.4587 3  144.4759 45  72503 303221111      211110        s-trans-Propenoic acid
  168274.6155  0.0055 -5.7510 3  307.2098 83  72503 303411230      401327        s-trans-Propenoic acid
  168294.8221  0.0176 -5.8358 3  433.7024103  72503 303511239      511240        s-trans-Propenoic acid
  168454.7576  0.0099 -5.1324 3  389.1900 97  72503 303481137      481038        s-trans-Propenoic acid
  168470.0067  0.1255 -5.5331 3  688.1911131  72503 303651946      651847        s-trans-Propenoic acid
  168616.5366  0.0080 -5.9521 3  251.3948 73  72503 303361126      36 927        s-trans-Propenoic acid
  168752.4391  0.0299 -6.1396 3  551.9028113  72503 303562037      552134        s-trans-Propenoic acid
  168765.8295  0.0299 -6.1396 3  551.9028113  72503 303562036      552135        s-trans-Propenoic acid
  168822.7406  0.1673 -6.1320 3 1047.1711165  72503 303822260      822161        s-trans-Propenoic acid
  168856.0333  0.0014 -4.4213 3  139.7090 45  72503 303221013      211012        s-trans-Propenoic acid
  168860.7188  0.0014 -4.4213 3  139.7091 45  72503 303221012      211011        s-trans-Propenoic acid
  168860.9411  0.0053 -5.0224 3  307.1310 81  72503 303401427      401328        s-trans-Propenoic acid
  168942.9868  0.0037 -5.0280 3  187.2643 55  72503 303271314      271215        s-trans-Propenoic acid
  168945.1242  0.0037 -5.0279 3  187.2642 55  72503 303271315      271216        s-trans-Propenoic acid
  169091.3632  0.1779 -6.0080 3  975.2606159  72503 303792158      792059        s-trans-Propenoic acid
  169203.6801  0.0043 -5.6568 3  319.2151 87  72503 30343 934      43 935        s-trans-Propenoic acid
  169305.2111  0.0073 -5.1308 3  407.7644 99  72503 303491337      491238        s-trans-Propenoic acid
  169335.7911  0.0271 -5.1816 3  451.7235103  72503 303511635      511536        s-trans-Propenoic acid
  169453.7821  0.0058 -5.1040 3  377.0094 95  72503 303471236      471137        s-trans-Propenoic acid
  169454.3999  0.0028 -5.6456 3  196.9300 67  72503 30333 429      33 430        s-trans-Propenoic acid
  169454.5736  0.0028 -5.1760 3  196.9300 67  72503 30333 429      33 330        s-trans-Propenoic acid
  169458.3276  0.0028 -5.1759 3  196.9300 67  72503 30333 529      33 430        s-trans-Propenoic acid
  169458.5014  0.0028 -5.6456 3  196.9300 67  72503 30333 529      33 330        s-trans-Propenoic acid
  169466.6551  0.0043 -5.0738 3  319.2063 87  72503 30343 934      43 835        s-trans-Propenoic acid
  169504.2665  0.0052 -5.0149 3  296.7286 79  72503 303391425      391326        s-trans-Propenoic acid
  169560.6148  0.0015 -4.3246 3  125.5397 45  72503 30322 617      21 616        s-trans-Propenoic acid
  169594.6736  0.0038 -5.0382 3  180.3468 53  72503 303261313      261214        s-trans-Propenoic acid
  169595.5250  0.0038 -5.0382 3  180.3468 53  72503 303261314      261215        s-trans-Propenoic acid
  169660.8673  0.0922 -6.7613 3  882.8993143  72503 303712844      702941        s-trans-Propenoic acid
  169660.8689  0.0922 -6.7613 3  882.8993143  72503 303712843      702942        s-trans-Propenoic acid
  169664.5171  0.0014 -4.3874 3  135.4403 45  72503 30322 914      21 913        s-trans-Propenoic acid
  169681.6106  0.0015 -4.9798 3  128.2027 47  72503 30323 419      22 518        s-trans-Propenoic acid
  169726.0353  0.0015 -4.3204 3  119.0465 43  72503 30321 516      20 515        s-trans-Propenoic acid
  169732.3447  0.0014 -4.3870 3  135.4420 45  72503 30322 913      21 912        s-trans-Propenoic acid
  169828.5470  0.0355 -6.2039 3  590.4249117  72503 303582138      572235        s-trans-Propenoic acid
  169833.5033  0.0355 -6.2038 3  590.4249117  72503 303582137      572236        s-trans-Propenoic acid
  169877.7718  0.0030 -5.7088 3   79.6949 27  72503 30313 4 9      12 310        s-trans-Propenoic acid
  169893.2267  0.0091 -5.7495 3  323.4297 85  72503 303421329      411428        s-trans-Propenoic acid
  170001.4425  0.0512 -5.3766 3  583.1232121  72503 303601545      601446        s-trans-Propenoic acid
  170068.8667  0.0359 -6.6705 3  438.0949103  72503 303511338      501535        s-trans-Propenoic acid
  170158.5010  0.0018 -5.0108 3  122.5268 45  72503 30322 518      21 417        s-trans-Propenoic acid
  170169.5822  0.0039 -5.0512 3  173.6956 51  72503 303251312      251213        s-trans-Propenoic acid
  170169.9058  0.0039 -5.0512 3  173.6956 51  72503 303251313      251214        s-trans-Propenoic acid
  170306.7084  0.2896 -6.1746 3 1075.5462167  72503 303832360      832261        s-trans-Propenoic acid
  170399.1228  0.0046 -5.0807 3  347.4908 91  72503 303451135      451036        s-trans-Propenoic acid
  170503.2260  0.0700 -6.5556 3  525.0989115  72503 303571444      561541        s-trans-Propenoic acid
  170507.9250  0.0154 -5.1739 3  433.6286103  72503 303511239      511140        s-trans-Propenoic acid
  170530.6997  0.0033 -6.4472 3  117.4055 41  72503 30320 713      20 516        s-trans-Propenoic acid
  170566.6882  0.1636 -6.2556 3 1121.6962171  72503 303852362      852263        s-trans-Propenoic acid
  170586.5941  0.0017 -4.3267 3  120.7275 43  72503 30321 615      20 614        s-trans-Propenoic acid
  170648.8708  0.0131 -5.1411 3  432.0411101  72503 303501536      501437        s-trans-Propenoic acid
  170658.3457  0.0014 -4.3567 3  131.6850 45  72503 30322 815      21 814        s-trans-Propenoic acid
  170675.5838  0.0041 -5.0671 3  167.3094 49  72503 303241311      241212        s-trans-Propenoic acid
  170675.7007  0.0041 -5.0671 3  167.3094 49  72503 303241312      241213        s-trans-Propenoic acid
  170679.7134  0.0049 -5.0092 3  296.6844 79  72503 303391426      391327        s-trans-Propenoic acid
  170768.5571  0.0098 -5.1575 3  439.7578103  72503 303511438      511339        s-trans-Propenoic acid
  170882.0899  0.1734 -5.8850 3  905.9662153  72503 303762056      761957        s-trans-Propenoic acid
  170975.9479  0.0417 -6.2712 3  630.4144121  72503 303602239      592336        s-trans-Propenoic acid
  170977.7570  0.0417 -6.2712 3  630.4144121  72503 303602238      592337        s-trans-Propenoic acid
  170982.1391  0.0026 -5.6062 3  218.7962 71  72503 30335 530      35 531        s-trans-Propenoic acid
  170983.1541  0.0026 -5.1170 3  218.7961 71  72503 30335 530      35 431        s-trans-Propenoic acid
  170997.4659  0.0126 -5.1237 3  418.8812 99  72503 303491535      491436        s-trans-Propenoic acid
  171000.1405  0.0026 -5.1169 3  218.7962 71  72503 30335 630      35 531        s-trans-Propenoic acid
  171001.1556  0.0026 -5.6061 3  218.7961 71  72503 30335 630      35 431        s-trans-Propenoic acid
  171063.4642  0.0135 -5.1568 3  445.4540103  72503 303511537      511438        s-trans-Propenoic acid
  171103.8380  0.0098 -5.8922 3  307.1154 83  72503 303411230      411031        s-trans-Propenoic acid
  171119.6012  0.0042 -5.0865 3  161.1869 47  72503 303231310      231211        s-trans-Propenoic acid
  171119.6412  0.0042 -5.0865 3  161.1869 47  72503 303231311      231212        s-trans-Propenoic acid
  171159.3224  0.0015 -4.3328 3  128.4313 45  72503 30322 716      21 715        s-trans-Propenoic acid
  171161.2246  0.0036 -5.8281 3  163.7164 61  72503 30330 228      30 229        s-trans-Propenoic acid
  171161.2256  0.0036 -5.3969 3  163.7164 61  72503 30330 228      30 129        s-trans-Propenoic acid
  171161.2738  0.0036 -5.3969 3  163.7164 61  72503 30330 328      30 229        s-trans-Propenoic acid
  171161.2748  0.0036 -5.8281 3  163.7164 61  72503 30330 328      30 129        s-trans-Propenoic acid
  171203.1216  0.0044 -5.6897 3  347.4639 91  72503 303451135      45 936        s-trans-Propenoic acid
  171251.0992  0.0356 -5.2970 3  530.6058115  72503 303571443      571344        s-trans-Propenoic acid
  171255.6466  0.0016 -4.6065 3  133.5945 55  72503 30327 027      26 126        s-trans-Propenoic acid
  171255.6467  0.0016 -4.2111 3  133.5945 55  72503 30327 127      26 126        s-trans-Propenoic acid
  171255.6469  0.0016 -4.2111 3  133.5945 55  72503 30327 027      26 026        s-trans-Propenoic acid
  171255.6470  0.0016 -4.6065 3  133.5945 55  72503 30327 127      26 026        s-trans-Propenoic acid
  171263.7134  0.0015 -4.6686 3  133.0767 53  72503 30326 125      25 224        s-trans-Propenoic acid
  171263.7360  0.0015 -4.2329 3  133.0767 53  72503 30326 225      25 224        s-trans-Propenoic acid
  171263.7618  0.0015 -4.2329 3  133.0767 53  72503 30326 125      25 124        s-trans-Propenoic acid
  171263.7844  0.0015 -4.6686 3  133.0767 53  72503 30326 225      25 124        s-trans-Propenoic acid
  171314.4861  0.0015 -4.7419 3  132.0271 51  72503 30325 223      24 322        s-trans-Propenoic acid
  171316.3538  0.0015 -4.2541 3  132.0271 51  72503 30325 323      24 322        s-trans-Propenoic acid
  171318.2762  0.0015 -4.2541 3  132.0270 51  72503 30325 223      24 222        s-trans-Propenoic acid
  171320.1439  0.0015 -4.7419 3  132.0270 51  72503 30325 323      24 222        s-trans-Propenoic acid
  171340.5426  0.0015 -4.3532 3  131.7077 45  72503 30322 814      21 813        s-trans-Propenoic acid
  171393.0789  0.0015 -4.8346 3  130.4130 49  72503 30324 321      23 420        s-trans-Propenoic acid
  171408.6433  0.0032 -5.6163 3  292.1941 83  72503 30341 833      41 834        s-trans-Propenoic acid
  171446.6559  0.0238 -5.2291 3  480.7706109  72503 303541341      541242        s-trans-Propenoic acid
  171461.5318  0.0037 -5.0641 3  319.2151 87  72503 303431034      43 935        s-trans-Propenoic acid
  171473.4666  0.0015 -4.2740 3  130.4130 49  72503 30324 421      23 420        s-trans-Propenoic acid
  171478.6153  0.0030 -6.7301 3   68.2555 21  72503 30310 3 8       9 0 9        s-trans-Propenoic acid
  171486.8029  0.0032 -5.0605 3  292.1915 83  72503 30341 833      41 734        s-trans-Propenoic acid
  171507.8113  0.0044 -5.1097 3  155.3272 45  72503 3032213 9      221210        s-trans-Propenoic acid
  171507.8242  0.0044 -5.1097 3  155.3272 45  72503 303221310      221211        s-trans-Propenoic acid
  171521.3175  0.0015 -4.2935 3  128.2027 47  72503 30323 519      22 518        s-trans-Propenoic acid
  171544.4619  0.0015 -4.2736 3  130.4079 49  72503 30324 321      23 320        s-trans-Propenoic acid
  171624.8497  0.0015 -4.8333 3  130.4079 49  72503 30324 421      23 320        s-trans-Propenoic acid
  171698.8992  0.0055 -5.7438 3  376.9345 95  72503 303471236      471037        s-trans-Propenoic acid
  171724.5068  0.0036 -5.6450 3  319.2063 87  72503 303431034      43 835        s-trans-Propenoic acid
  171764.3028  0.0048 -5.0006 3  286.5434 77  72503 303381424      381325        s-trans-Propenoic acid
  171845.7829  0.0046 -5.1375 3  149.7291 43  72503 3032113 8      2112 9        s-trans-Propenoic acid
  171845.7868  0.0046 -5.1375 3  149.7291 43  72503 3032113 9      211210        s-trans-Propenoic acid
  171869.6659  0.0046 -6.6859 3  109.6129 39  72503 30319 613      19 416        s-trans-Propenoic acid
  171922.8307  0.0026 -5.5908 3  241.9709 75  72503 30337 631      37 632        s-trans-Propenoic acid
  171927.7817  0.0026 -5.0809 3  241.9708 75  72503 30337 631      37 532        s-trans-Propenoic acid
  171968.9313  0.0119 -5.1050 3  405.9825 97  72503 303481534      481435        s-trans-Propenoic acid
  171994.2605  0.0026 -5.0806 3  241.9709 75  72503 30337 731      37 632        s-trans-Propenoic acid
  171999.2116  0.0026 -5.5904 3  241.9708 75  72503 30337 731      37 532        s-trans-Propenoic acid
  172058.1568  0.0028 -6.7739 3   69.9422 21  72503 30310 4 7       9 2 8        s-trans-Propenoic acid
  172060.5782  0.0026 -5.0292 3   78.4177 19  72503 303 9 8 2       8 7 1        s-trans-Propenoic acid
  172060.5820  0.0026 -5.0292 3   78.4177 19  72503 303 9 8 1       8 7 2        s-trans-Propenoic acid
  172129.3799  0.2928 -5.9671 3  959.2503157  72503 303782256      782157        s-trans-Propenoic acid
  172138.5744  0.0048 -5.1708 3  144.3917 41  72503 3032013 7      2012 8        s-trans-Propenoic acid
  172138.5755  0.0048 -5.1708 3  144.3917 41  72503 3032013 8      2012 9        s-trans-Propenoic acid
  172147.8944  0.0028 -5.5947 3  266.4414 79  72503 30339 732      39 733        s-trans-Propenoic acid
  172168.7946  0.0028 -5.0628 3  266.4407 79  72503 30339 732      39 633        s-trans-Propenoic acid
  172183.5023  0.0487 -6.3416 3  671.8702125  72503 303622340      612437        s-trans-Propenoic acid
  172184.1545  0.0487 -6.3416 3  671.8702125  72503 303622339      612438        s-trans-Propenoic acid
  172187.0829  0.0072 -5.7558 3  334.4107 87  72503 303431331      421428        s-trans-Propenoic acid
  172200.0033  0.0031 -5.0570 3  292.1941 83  72503 30341 933      41 834        s-trans-Propenoic acid
  172278.1629  0.0031 -5.6123 3  292.1915 83  72503 30341 933      41 734        s-trans-Propenoic acid
  172351.7508  0.0138 -5.1703 3  459.1114105  72503 303521538      521439        s-trans-Propenoic acid
  172371.7764  0.0054 -6.6460 3   97.8210 35  72503 30317 512      17 215        s-trans-Propenoic acid
  172390.8070  0.0050 -5.2109 3  139.3141 39  72503 3031913 6      1912 7        s-trans-Propenoic acid
  172390.8073  0.0050 -5.2109 3  139.3141 39  72503 3031913 7      1912 8        s-trans-Propenoic acid
  172398.8152  0.0027 -5.0617 3  266.4414 79  72503 30339 832      39 733        s-trans-Propenoic acid
  172409.9858  0.0047 -4.9975 3  286.5194 77  72503 303381425      381326        s-trans-Propenoic acid
  172419.7154  0.0027 -5.5934 3  266.4407 79  72503 30339 832      39 633        s-trans-Propenoic acid
  172557.8635  0.0111 -5.0680 3  369.0946 91  72503 303451530      451431        s-trans-Propenoic acid
  172606.7206  0.0052 -5.2598 3  134.4954 37  72503 3031813 5      1812 6        s-trans-Propenoic acid
  172606.7206  0.0052 -5.2598 3  134.4954 37  72503 3031813 6      1812 7        s-trans-Propenoic acid
  172671.9478  0.2736 -6.5761 3  859.4683149  72503 303741955      741956        s-trans-Propenoic acid
  172728.9470  0.0588 -6.7740 3  485.1395109  72503 303541440      531637        s-trans-Propenoic acid
  172777.3517  0.0015 -4.2865 3  128.0994 47  72503 30323 419      22 418        s-trans-Propenoic acid
  172790.2176  0.0054 -5.3208 3  129.9349 35  72503 3031713 4      1712 5        s-trans-Propenoic acid
  172790.2176  0.0054 -5.3208 3  129.9349 35  72503 3031713 5      1712 6        s-trans-Propenoic acid
  172918.7029  0.0044 -6.4793 3  115.3459 39  72503 30319 812      19 613        s-trans-Propenoic acid
  172944.8981  0.0056 -5.3991 3  125.6318 33  72503 3031613 3      1612 4        s-trans-Propenoic acid
  172944.8981  0.0056 -5.3991 3  125.6318 33  72503 3031613 4      1612 5        s-trans-Propenoic acid
  173001.8041  0.0022 -5.1775 3   83.6572 27  72503 30313 6 8      12 5 7        s-trans-Propenoic acid
  173003.9101  0.0093 -5.8236 3  394.8090 97  72503 303481336      481137        s-trans-Propenoic acid
  173074.0879  0.0058 -5.5049 3  121.5853 31  72503 3031513 2      1512 3        s-trans-Propenoic acid
  173074.0879  0.0058 -5.5049 3  121.5853 31  72503 3031513 3      1512 4        s-trans-Propenoic acid
  173167.9127  0.0110 -5.8439 3  382.2095 95  72503 303471335      471136        s-trans-Propenoic acid
  173180.8609  0.0059 -5.6612 3  117.7949 29  72503 3031413 1      1412 2        s-trans-Propenoic acid
  173180.8609  0.0059 -5.6612 3  117.7949 29  72503 3031413 2      1412 3        s-trans-Propenoic acid
  173188.6661  0.1760 -5.6416 3  766.8119139  72503 303692049      691950        s-trans-Propenoic acid
  173206.3681  0.0024 -5.0906 3   80.2386 23  72503 30311 7 5      10 6 4        s-trans-Propenoic acid
  173214.3912  0.0024 -5.0906 3   80.2384 23  72503 30311 7 4      10 6 5        s-trans-Propenoic acid
  173268.0568  0.0061 -5.9414 3  114.2599 27  72503 3031313 0      1312 1        s-trans-Propenoic acid
  173268.0568  0.0061 -5.9414 3  114.2599 27  72503 3031313 1      1312 2        s-trans-Propenoic acid
  173396.1258  0.0168 -6.0988 3  376.8779 95  72503 303471236      461333        s-trans-Propenoic acid
  173409.2216  0.0110 -5.0855 3  393.3521 95  72503 303471533      471434        s-trans-Propenoic acid
  173441.9810  0.0565 -6.4152 3  714.7915129  72503 303642441      632538        s-trans-Propenoic acid
  173442.2135  0.0565 -6.4152 3  714.7915129  72503 303642440      632539        s-trans-Propenoic acid
  173479.3837  0.0044 -6.3087 3  109.5592 39  72503 30319 613      19 316        s-trans-Propenoic acid
  173548.1991  0.0789 -5.3733 3  597.6170121  72503 303601842      601743        s-trans-Propenoic acid
  173628.7260  0.0064 -5.6880 3  359.0750 93  72503 303461036      461037        s-trans-Propenoic acid
  173629.1500  0.1547 -5.7648 3  839.2939147  72503 303731954      731855        s-trans-Propenoic acid
  173641.8681  0.0162 -6.5397 3  406.6871 99  72503 303491237      481434        s-trans-Propenoic acid
  173679.2530  0.0046 -4.9891 3  276.6478 75  72503 303371423      371324        s-trans-Propenoic acid
  173709.3079  0.0031 -5.6995 3  183.5517 65  72503 30332 329      32 330        s-trans-Propenoic acid
  173709.3190  0.0031 -5.2508 3  183.5517 65  72503 30332 329      32 230        s-trans-Propenoic acid
  173709.6618  0.0031 -5.2508 3  183.5517 65  72503 30332 429      32 330        s-trans-Propenoic acid
  173709.6728  0.0031 -5.6995 3  183.5517 65  72503 30332 429      32 230        s-trans-Propenoic acid
  173812.5528  0.0050 -5.5425 3  233.7017 47  72503 3032322 1      2222 0        s-trans-Propenoic acid
  173812.5528  0.0050 -5.5425 3  233.7017 47  72503 3032322 2      2222 1        s-trans-Propenoic acid
  173875.4592  0.0036 -6.1480 3   74.9068 25  72503 30312 3 9      11 210        s-trans-Propenoic acid
  173895.0262  0.0045 -5.2302 3  223.7649 47  72503 3032321 2      2221 1        s-trans-Propenoic acid
  173895.0262  0.0045 -5.2302 3  223.7649 47  72503 3032321 3      2221 2        s-trans-Propenoic acid
  173988.1348  0.0040 -5.0439 3  214.2924 47  72503 3032320 3      2220 2        s-trans-Propenoic acid
  173988.1348  0.0040 -5.0439 3  214.2924 47  72503 3032320 4      2220 3        s-trans-Propenoic acid
  174010.5598  0.0061 -6.2252 3  153.9039 51  72503 30325 917      25 718        s-trans-Propenoic acid
  174023.5492  0.0045 -4.9875 3  276.6351 75  72503 303371424      371325        s-trans-Propenoic acid
  174094.3200  0.0036 -4.9099 3  205.2846 47  72503 3032319 4      2219 3        s-trans-Propenoic acid
  174094.3200  0.0036 -4.9099 3  205.2846 47  72503 3032319 5      2219 4        s-trans-Propenoic acid
  174098.2729  0.0061 -5.0861 3  359.0594 93  72503 303461036      46 937        s-trans-Propenoic acid
  174130.6473  0.0095 -5.7839 3  363.1096 91  72503 303451432      441529        s-trans-Propenoic acid
  174198.3166  0.0964 -6.1927 3  655.3736129  72503 303641648      641649        s-trans-Propenoic acid
  174216.7409  0.0032 -4.8050 3  196.7422 47  72503 3032318 5      2218 4        s-trans-Propenoic acid
  174216.7409  0.0032 -4.8050 3  196.7422 47  72503 3032318 6      2218 5        s-trans-Propenoic acid
  174327.4345  0.0022 -5.1730 3   83.6192 27  72503 30313 6 7      12 5 8        s-trans-Propenoic acid
  174359.5477  0.0028 -4.7190 3  188.6659 47  72503 3032317 6      2217 5        s-trans-Propenoic acid
  174359.5477  0.0028 -4.7190 3  188.6659 47  72503 3032317 7      2217 6        s-trans-Propenoic acid
  174430.4546  0.0043 -5.6536 3  151.3549 59  72503 30329 128      29 029        s-trans-Propenoic acid
  174430.4546  0.0043 -6.0671 3  151.3549 59  72503 30329 128      29 129        s-trans-Propenoic acid
  174430.4568  0.0043 -6.0671 3  151.3549 59  72503 30329 228      29 029        s-trans-Propenoic acid
  174430.4568  0.0043 -5.6536 3  151.3549 59  72503 30329 228      29 129        s-trans-Propenoic acid
  174528.2910  0.0025 -4.6464 3  181.0567 47  72503 3032316 7      2216 6        s-trans-Propenoic acid
  174528.2910  0.0025 -4.6464 3  181.0567 47  72503 3032316 8      2216 7        s-trans-Propenoic acid
  174533.0369  0.0190 -6.6176 3  433.4943103  72503 303511239      501436        s-trans-Propenoic acid
  174581.2752  0.0141 -5.1815 3  473.0046107  72503 303531539      531440        s-trans-Propenoic acid
  174617.0587  0.0017 -4.9523 3  128.0994 47  72503 30323 519      22 418        s-trans-Propenoic acid
  174696.0663  0.2277 -6.3780 3 1198.8388177  72503 303882464      882365        s-trans-Propenoic acid
  174730.5495  0.0022 -4.5838 3  173.9160 47  72503 3032315 8      2215 7        s-trans-Propenoic acid
  174730.5495  0.0022 -4.5838 3  173.9160 47  72503 3032315 9      2215 8        s-trans-Propenoic acid
  174743.8867  0.0652 -6.4919 3  759.1770133  72503 303662542      652639        s-trans-Propenoic acid
  174743.9688  0.0652 -6.4919 3  759.1770133  72503 303662541      652640        s-trans-Propenoic acid
  174812.9296  0.0035 -6.5308 3   74.8755 25  72503 30312 3 9      11 110        s-trans-Propenoic acid
  174884.1703  0.0028 -6.5224 3   69.8479 21  72503 30310 4 7       9 1 8        s-trans-Propenoic acid
  174899.6015  0.0022 -5.0913 3  137.0858 49  72503 30324 519      23 618        s-trans-Propenoic acid
  174976.9305  0.0019 -4.5291 3  167.2456 47  72503 3032314 9      2214 8        s-trans-Propenoic acid
  174976.9305  0.0019 -4.5291 3  167.2456 47  72503 303231410      2214 9        s-trans-Propenoic acid
  175030.5713  0.0083 -5.8042 3  407.5734 99  72503 303491337      491138        s-trans-Propenoic acid
  175129.6938  0.0121 -5.8248 3  393.2947 95  72503 303471533      461630        s-trans-Propenoic acid
  175142.2859  0.0023 -5.3636 3   84.8728 29  72503 30314 5 9      13 410        s-trans-Propenoic acid
  175166.5957  0.0102 -5.0659 3  380.9957 93  72503 303461532      461433        s-trans-Propenoic acid
  175169.4826  0.0080 -5.1274 3  420.6306101  72503 303501338      501239        s-trans-Propenoic acid
  175173.8542  0.0018 -4.3119 3  128.6246 45  72503 30322 715      21 714        s-trans-Propenoic acid
  175208.2184  0.0087 -5.6836 3  296.6844 81  72503 303401228      391327        s-trans-Propenoic acid
  175282.7393  0.0017 -4.4809 3  161.0481 47  72503 303231311      221310        s-trans-Propenoic acid
  175282.7402  0.0017 -4.4809 3  161.0481 47  72503 303231310      2213 9        s-trans-Propenoic acid
  175315.6119  0.0359 -6.3047 3  447.4101105  72503 303521340      511437        s-trans-Propenoic acid
  175329.3924  0.0045 -4.9801 3  267.0368 73  72503 303361422      361323        s-trans-Propenoic acid
  175472.6070  0.0057 -5.7422 3  317.9956 85  72503 303421231      411328        s-trans-Propenoic acid
  175474.8023  0.0071 -5.5957 3  238.4426 71  72503 303351025      341124        s-trans-Propenoic acid
  175478.7750  0.0105 -5.1597 3  453.2580105  72503 303521439      521340        s-trans-Propenoic acid
  175507.6329  0.0044 -4.9792 3  267.0303 73  72503 303361423      361324        s-trans-Propenoic acid
  175670.9223  0.0015 -4.4379 3  155.3272 47  72503 303231212      221211        s-trans-Propenoic acid
  175670.9504  0.0015 -4.4379 3  155.3272 47  72503 303231211      221210        s-trans-Propenoic acid
  175767.5368  0.3398 -6.3313 3 1174.7835175  72503 303872463      872364        s-trans-Propenoic acid
  175772.4477  0.0151 -5.8731 3  424.9595 99  72503 303491634      481731        s-trans-Propenoic acid
  175814.7408  0.0028 -5.6270 3  204.7213 69  72503 30334 430      34 431        s-trans-Propenoic acid
  175814.8257  0.0028 -5.1603 3  204.7213 69  72503 30334 430      34 331        s-trans-Propenoic acid
  175816.7446  0.0028 -5.1603 3  204.7213 69  72503 30334 530      34 431        s-trans-Propenoic acid
  175816.8295  0.0028 -5.6270 3  204.7213 69  72503 30334 530      34 331        s-trans-Propenoic acid
  175878.6197  0.0027 -6.1610 3   79.4947 27  72503 30313 4 9      12 210        s-trans-Propenoic acid
  175908.6054  0.0226 -5.1371 3  438.0949101  72503 303501634      501535        s-trans-Propenoic acid
  175961.9266  0.0130 -5.8654 3  369.7688 93  72503 303461334      461135        s-trans-Propenoic acid
  176011.0769  0.0060 -5.4679 3  188.3436 61  72503 30330 822      29 921        s-trans-Propenoic acid
  176025.3835  0.0062 -5.0968 3  389.2352 97  72503 303481237      481138        s-trans-Propenoic acid
  176083.1492  0.0747 -6.5717 3  805.0258137  72503 303682643      672740        s-trans-Propenoic acid
  176083.1779  0.0747 -6.5717 3  805.0258137  72503 303682642      672741        s-trans-Propenoic acid
  176177.4852  0.0014 -4.3993 3  150.0886 47  72503 303231113      221112        s-trans-Propenoic acid
  176178.1249  0.0014 -4.3993 3  150.0886 47  72503 303231112      221111        s-trans-Propenoic acid
  176192.0442  0.0015 -4.2807 3  124.7079 45  72503 30322 517      21 516        s-trans-Propenoic acid
  176287.4069  0.0440 -5.2395 3  514.2563111  72503 303551738      551639        s-trans-Propenoic acid
  176354.6791  0.0185 -5.9263 3  458.1004103  72503 303511735      501832        s-trans-Propenoic acid
  176392.4085  0.0095 -5.0409 3  357.2257 89  72503 303441529      441430        s-trans-Propenoic acid
  176583.3791  0.0015 -4.2800 3  131.1957 47  72503 30323 618      22 617        s-trans-Propenoic acid
  176686.5669  0.3677 -6.1133 3 1052.8025165  72503 303822359      822260        s-trans-Propenoic acid
  176747.0237  0.1280 -5.6494 3  775.2530141  72503 303701852      701753        s-trans-Propenoic acid
  176770.3458  0.0044 -4.9733 3  257.7067 71  72503 303351421      351322        s-trans-Propenoic acid
  176782.2743  0.0015 -4.9125 3  133.9240 49  72503 30324 420      23 519        s-trans-Propenoic acid
  176795.6934  0.0189 -5.9241 3  458.0996103  72503 303511734      501833        s-trans-Propenoic acid
  176847.0737  0.0159 -5.8676 3  424.9575 99  72503 303491633      481732        s-trans-Propenoic acid
  176859.6605  0.0014 -4.3643 3  145.3414 47  72503 303231014      221013        s-trans-Propenoic acid
  176859.9072  0.0044 -4.9728 3  257.7034 71  72503 303351422      351323        s-trans-Propenoic acid
  176870.7626  0.0014 -4.3643 3  145.3417 47  72503 303231013      221012        s-trans-Propenoic acid
  177002.8355  0.0224 -5.9832 3  492.7146107  72503 303531836      521933        s-trans-Propenoic acid
  177033.0329  0.0042 -5.6320 3  330.1598 89  72503 30344 935      44 936        s-trans-Propenoic acid
  177045.8687  0.0141 -6.5471 3  419.9152101  72503 303501238      491435        s-trans-Propenoic acid
  177104.8098  0.0093 -5.0466 3  368.9179 91  72503 303451531      451432        s-trans-Propenoic acid
  177143.2146  0.0099 -5.7342 3  401.6645 99  72503 303491138      491139        s-trans-Propenoic acid
  177178.8665  0.0226 -5.9823 3  492.7143107  72503 303531835      521934        s-trans-Propenoic acid
  177181.9083  0.0041 -5.0589 3  330.1548 89  72503 30344 935      44 836        s-trans-Propenoic acid
  177283.6768  0.0048 -5.0711 3  359.0750 93  72503 303461136      461037        s-trans-Propenoic acid
  177381.3803  0.0059 -5.7238 3  389.1900 97  72503 303481237      481038        s-trans-Propenoic acid
  177411.9817  0.0037 -5.8098 3  170.4672 63  72503 30331 229      31 230        s-trans-Propenoic acid
  177411.9822  0.0037 -5.3799 3  170.4672 63  72503 30331 229      31 130        s-trans-Propenoic acid
  177412.0051  0.0037 -5.3799 3  170.4672 63  72503 30331 329      31 230        s-trans-Propenoic acid
  177412.0056  0.0037 -5.8098 3  170.4672 63  72503 30331 329      31 130        s-trans-Propenoic acid
  177436.5759  0.0026 -5.5880 3  227.2134 73  72503 30336 531      36 532        s-trans-Propenoic acid
  177437.0867  0.0026 -5.1026 3  227.2134 73  72503 30336 531      36 432        s-trans-Propenoic acid
  177446.0556  0.0026 -5.1025 3  227.2134 73  72503 30336 631      36 532        s-trans-Propenoic acid
  177446.5664  0.0026 -5.5879 3  227.2134 73  72503 30336 631      36 432        s-trans-Propenoic acid
  177454.8341  0.0852 -6.6547 3  852.3369141  72503 303702744      692841        s-trans-Propenoic acid
  177454.8440  0.0852 -6.6547 3  852.3369141  72503 303702743      692842        s-trans-Propenoic acid
  177480.7328  0.0016 -4.5710 3  139.3070 57  72503 30328 028      27 127        s-trans-Propenoic acid
  177480.7328  0.0016 -4.1763 3  139.3070 57  72503 30328 128      27 127        s-trans-Propenoic acid
  177480.7329  0.0016 -4.1763 3  139.3070 57  72503 30328 028      27 027        s-trans-Propenoic acid
  177480.7330  0.0016 -4.5710 3  139.3070 57  72503 30328 128      27 027        s-trans-Propenoic acid
  177487.6513  0.0015 -4.6305 3  138.7894 55  72503 30327 126      26 225        s-trans-Propenoic acid
  177487.6617  0.0015 -4.1973 3  138.7894 55  72503 30327 226      26 225        s-trans-Propenoic acid
  177487.6738  0.0015 -4.1973 3  138.7894 55  72503 30327 126      26 125        s-trans-Propenoic acid
  177487.6843  0.0015 -4.6305 3  138.7894 55  72503 30327 226      26 125        s-trans-Propenoic acid
  177533.7921  0.0015 -4.7002 3  137.7416 53  72503 30326 224      25 323        s-trans-Propenoic acid
  177534.7057  0.0015 -4.2176 3  137.7416 53  72503 30326 324      25 323        s-trans-Propenoic acid
  177535.6598  0.0015 -4.2176 3  137.7415 53  72503 30326 224      25 223        s-trans-Propenoic acid
  177536.5734  0.0015 -4.7002 3  137.7415 53  72503 30326 324      25 223        s-trans-Propenoic acid
  177568.4443  0.0039 -6.2680 3  111.9420 39  72503 30319 712      19 415        s-trans-Propenoic acid
  177640.3422  0.0015 -4.7865 3  136.1327 51  72503 30325 322      24 421        s-trans-Propenoic acid
  177660.4847  0.0136 -5.8116 3  393.2893 95  72503 303471532      461631        s-trans-Propenoic acid
  177682.4947  0.0015 -4.2367 3  136.1327 51  72503 30325 422      24 421        s-trans-Propenoic acid
  177692.6373  0.2434 -6.2741 3 1145.0235173  72503 303862363      862264        s-trans-Propenoic acid
  177699.2813  0.2398 -5.7629 3  850.0463147  72503 303732152      732053        s-trans-Propenoic acid
  177720.7299  0.0015 -4.2365 3  136.1300 51  72503 30325 322      24 321        s-trans-Propenoic acid
  177753.2237  0.0046 -5.6693 3  359.0594 93  72503 303461136      46 937        s-trans-Propenoic acid
  177757.7406  0.0269 -6.0434 3  528.8005111  72503 303551937      542034        s-trans-Propenoic acid
  177757.8916  0.0038 -6.4447 3  122.6952 43  72503 30321 714      21 517        s-trans-Propenoic acid
  177762.8825  0.0015 -4.7859 3  136.1300 51  72503 30325 422      24 321        s-trans-Propenoic acid
  177768.8713  0.0146 -5.1904 3  487.1254109  72503 303541540      541441        s-trans-Propenoic acid
  177781.8949  0.0014 -4.3322 3  141.0997 47  72503 30323 915      22 914        s-trans-Propenoic acid
  177811.2319  0.0073 -6.0838 3  194.2147 61  72503 303301021      30 822        s-trans-Propenoic acid
  177826.3864  0.0270 -6.0430 3  528.8004111  72503 303551936      542035        s-trans-Propenoic acid
  177847.9957  0.0015 -4.2547 3  133.9240 49  72503 30324 520      23 519        s-trans-Propenoic acid
  177923.6088  0.0014 -4.3315 3  141.1037 47  72503 30323 914      22 913        s-trans-Propenoic acid
  177950.1987  0.0093 -5.1126 3  401.6376 99  72503 303491138      491039        s-trans-Propenoic acid
  178040.7900  0.0044 -4.9685 3  248.6544 69  72503 303341420      341321        s-trans-Propenoic acid
  178084.4421  0.0044 -4.9683 3  248.6528 69  72503 303341421      341322        s-trans-Propenoic acid
  178195.8420  0.0633 -6.0699 3  599.2122123  72503 303611546      611547        s-trans-Propenoic acid
  178302.7894  0.0032 -6.7053 3   71.7865 21  72503 30310 5 5       9 3 6        s-trans-Propenoic acid
  178390.8941  0.0037 -5.0532 3  330.1598 89  72503 303441035      44 936        s-trans-Propenoic acid
  178457.2533  0.0036 -6.1711 3  117.1411 41  72503 30320 713      20 416        s-trans-Propenoic acid
  178459.7349  0.2224 -6.4098 3 1223.0741179  72503 303892465      892366        s-trans-Propenoic acid
  178505.6782  0.0040 -6.5353 3  110.2785 37  72503 30318 811      18 612        s-trans-Propenoic acid
  178515.3132  0.0026 -5.5724 3  251.0160 77  72503 30338 632      38 633        s-trans-Propenoic acid
  178517.8794  0.0026 -5.0674 3  251.0159 77  72503 30338 632      38 533        s-trans-Propenoic acid
  178539.7696  0.0037 -5.6252 3  330.1548 89  72503 303441035      44 836        s-trans-Propenoic acid
  178554.1357  0.0026 -5.0673 3  251.0160 77  72503 30338 732      38 633        s-trans-Propenoic acid
  178556.7019  0.0026 -5.5723 3  251.0159 77  72503 30338 732      38 533        s-trans-Propenoic acid
  178576.7406  0.0031 -5.5955 3  302.5024 85  72503 30342 834      42 835        s-trans-Propenoic acid
  178619.6883  0.0031 -5.0472 3  302.5010 85  72503 30342 834      42 735        s-trans-Propenoic acid
  178621.9812  0.0015 -4.2506 3  133.8626 49  72503 30324 420      23 419        s-trans-Propenoic acid
  178622.5498  0.0320 -6.1066 3  566.3566115  72503 303572038      562135        s-trans-Propenoic acid
  178648.7913  0.0321 -6.1065 3  566.3565115  72503 303572037      562136        s-trans-Propenoic acid
  178762.2064  0.0081 -5.7858 3  420.5107101  72503 303501338      501139        s-trans-Propenoic acid
  178805.5200  0.0014 -4.3035 3  137.3775 47  72503 30323 816      22 815        s-trans-Propenoic acid
  178854.9024  0.0967 -6.7408 3  901.1093145  72503 303722845      712942        s-trans-Propenoic acid
  178854.9058  0.0967 -6.7408 3  901.1093145  72503 303722844      712943        s-trans-Propenoic acid
  178855.9540  0.2561 -6.1385 3 1069.5802167  72503 303832261      832162        s-trans-Propenoic acid
  178948.8491  0.0015 -4.2832 3  134.1406 47  72503 30323 717      22 716        s-trans-Propenoic acid
  178954.3046  0.0027 -5.5756 3  276.1167 81  72503 30340 733      40 734        s-trans-Propenoic acid
  178965.4581  0.0027 -5.0499 3  276.1163 81  72503 30340 733      40 634        s-trans-Propenoic acid
  179005.6346  0.1167 -5.4653 3  670.5044129  72503 303641945      641846        s-trans-Propenoic acid
  179029.3888  0.0085 -5.9849 3  241.6221 71  72503 303351125      35 926        s-trans-Propenoic acid
  179035.8815  0.0030 -5.0453 3  302.5024 85  72503 30342 934      42 835        s-trans-Propenoic acid
  179078.8291  0.0030 -5.5932 3  302.5010 85  72503 30342 934      42 735        s-trans-Propenoic acid
  179095.1203  0.0027 -5.0492 3  276.1167 81  72503 30340 833      40 734        s-trans-Propenoic acid
  179106.2738  0.0027 -5.5750 3  276.1163 81  72503 30340 833      40 634        s-trans-Propenoic acid
  179111.6421  0.0085 -5.0282 3  357.1214 89  72503 303441530      441431        s-trans-Propenoic acid
  179168.1518  0.0045 -4.9657 3  239.8776 67  72503 303331419      331320        s-trans-Propenoic acid
  179188.7702  0.0045 -4.9656 3  239.8768 67  72503 303331420      331321        s-trans-Propenoic acid
  179285.7952  0.0023 -5.1595 3   87.0394 29  72503 30314 6 9      13 5 8        s-trans-Propenoic acid
  179285.8153  0.0036 -6.6733 3   70.4406 23  72503 30311 2 9      10 110        s-trans-Propenoic acid
  179426.1606  0.0017 -4.2709 3  126.4176 45  72503 30322 616      21 615        s-trans-Propenoic acid
  179525.2314  0.0083 -5.0182 3  345.6676 87  72503 303431528      431429        s-trans-Propenoic acid
  179568.3310  0.0159 -5.7953 3  446.9780105  72503 303521240      521241        s-trans-Propenoic acid
  179586.6654  0.0378 -6.1729 3  605.3815119  72503 303592139      582236        s-trans-Propenoic acid
  179596.5248  0.0378 -6.1729 3  605.3815119  72503 303592138      582237        s-trans-Propenoic acid
  179609.3568  0.0026 -4.9981 3   80.6934 21  72503 30310 8 3       9 7 2        s-trans-Propenoic acid
  179609.3875  0.0026 -4.9981 3   80.6934 21  72503 30310 8 2       9 7 3        s-trans-Propenoic acid
  179655.4027  0.0044 -6.4030 3  106.9352 37  72503 30318 711      18 414        s-trans-Propenoic acid
  179657.5456  0.0107 -5.9206 3  296.0678 81  72503 303401229      401030        s-trans-Propenoic acid
  179687.7026  0.0016 -4.8972 3  133.8626 49  72503 30324 520      23 419        s-trans-Propenoic acid
  179692.3532  0.0992 -5.5408 3  713.8552135  72503 303671750      671651        s-trans-Propenoic acid
  179836.1776  0.0121 -5.7534 3  363.0960 91  72503 303451431      441530        s-trans-Propenoic acid
  179998.2183  0.0033 -5.6821 3  190.9259 67  72503 30333 330      33 331        s-trans-Propenoic acid
  179998.2235  0.0033 -5.2353 3  190.9259 67  72503 30333 330      33 231        s-trans-Propenoic acid
  179998.3920  0.0033 -5.2353 3  190.9259 67  72503 30333 430      33 331        s-trans-Propenoic acid
  179998.3972  0.0033 -5.6821 3  190.9259 67  72503 30333 430      33 231        s-trans-Propenoic acid
  180037.0600  0.0016 -4.2975 3  137.4230 47  72503 30323 815      22 814        s-trans-Propenoic acid
  180172.5135  0.0046 -4.9649 3  231.3740 65  72503 303321418      321319        s-trans-Propenoic acid
  180181.9397  0.0046 -4.9649 3  231.3737 65  72503 303321419      321320        s-trans-Propenoic acid
  180308.4292  0.0406 -5.9628 3  545.7564117  72503 303581444      581445        s-trans-Propenoic acid
  180567.4920  0.0121 -5.9632 3  364.4117 93  72503 303461235      451332        s-trans-Propenoic acid
  180584.7886  0.0209 -5.1832 3  493.0551109  72503 303541639      541540        s-trans-Propenoic acid
  180636.2500  0.0444 -6.2423 3  645.8740123  72503 303612240      602337        s-trans-Propenoic acid
  180639.8986  0.0444 -6.2422 3  645.8740123  72503 303612239      602338        s-trans-Propenoic acid
  180647.2658  0.1931 -6.4151 3  794.3639143  72503 303711853      711854        s-trans-Propenoic acid
  180658.9990  0.0045 -6.0494 3  157.6903 61  72503 30330 129      30 130        s-trans-Propenoic acid
  180658.9991  0.0045 -5.6365 3  157.6903 61  72503 30330 129      30 030        s-trans-Propenoic acid
  180659.0001  0.0045 -6.0494 3  157.6903 61  72503 30330 229      30 030        s-trans-Propenoic acid
  180659.0001  0.0045 -5.6365 3  157.6903 61  72503 30330 229      30 130        s-trans-Propenoic acid
  180661.2878  0.0024 -5.0599 3   83.0396 25  72503 30312 7 6      11 6 5        s-trans-Propenoic acid
  180688.3496  0.0023 -5.0598 3   83.0388 25  72503 30312 7 5      11 6 6        s-trans-Propenoic acid
  180696.8185  0.0255 -5.8714 3  495.0103111  72503 303551342      551343        s-trans-Propenoic acid
  180749.1190  0.1071 -6.6321 3  593.1830123  72503 303611547      601644        s-trans-Propenoic acid
  180813.1798  0.0202 -5.1630 3  478.8280107  72503 303531638      531539        s-trans-Propenoic acid
  180903.9635  0.0060 -5.7542 3  329.0967 87  72503 303431232      421329        s-trans-Propenoic acid
  180909.9833  0.0145 -5.1527 3  446.9333105  72503 303521240      521141        s-trans-Propenoic acid
  180933.8317  0.0115 -5.1605 3  466.9693107  72503 303531440      531341        s-trans-Propenoic acid
  181069.1708  0.0047 -4.9661 3  223.1421 63  72503 303311417      311318        s-trans-Propenoic acid
  181073.3355  0.0047 -4.9661 3  223.1419 63  72503 303311418      311319        s-trans-Propenoic acid
  181102.2689  0.0077 -5.0109 3  345.6078 87  72503 303431529      431430        s-trans-Propenoic acid
  181171.1566  0.0213 -5.2014 3  507.5333111  72503 303551640      551541        s-trans-Propenoic acid
  181285.4488  0.0189 -5.0992 3  424.8094 99  72503 303491633      491534        s-trans-Propenoic acid
  181297.6656  0.4507 -6.2708 3 1150.9506173  72503 303862462      862363        s-trans-Propenoic acid
  181306.8086  0.0076 -5.7297 3  345.6676 89  72503 303441332      431429        s-trans-Propenoic acid
  181351.7584  0.0056 -5.5393 3  249.8976 49  72503 3032423 1      2323 0        s-trans-Propenoic acid
  181351.7584  0.0056 -5.5393 3  249.8976 49  72503 3032423 2      2323 1        s-trans-Propenoic acid
  181415.2098  0.2454 -6.0043 3  996.7474161  72503 303802159      802060        s-trans-Propenoic acid
  181434.5467  0.0050 -5.2255 3  239.4994 49  72503 3032422 2      2322 1        s-trans-Propenoic acid
  181434.5467  0.0050 -5.2255 3  239.4994 49  72503 3032422 3      2322 2        s-trans-Propenoic acid
  181436.8292  0.3885 -6.4989 3 1278.6066183  72503 303912566      912467        s-trans-Propenoic acid
  181527.3042  0.0045 -5.0378 3  229.5654 49  72503 3032421 3      2321 2        s-trans-Propenoic acid
  181527.3042  0.0045 -5.0378 3  229.5654 49  72503 3032421 4      2321 3        s-trans-Propenoic acid
  181535.3345  0.0088 -5.1238 3  433.7024103  72503 303511339      511240        s-trans-Propenoic acid
  181583.2551  0.2628 -6.5443 3 1303.7338185  72503 303922567      922468        s-trans-Propenoic acid
  181632.2117  0.0041 -4.9024 3  220.0960 49  72503 3032420 4      2320 3        s-trans-Propenoic acid
  181632.2117  0.0041 -4.9024 3  220.0960 49  72503 3032420 5      2320 4        s-trans-Propenoic acid
  181657.1681  0.0148 -5.8879 3  357.4861 91  72503 303451333      451134        s-trans-Propenoic acid
  181721.8062  0.0193 -5.1415 3  464.8604105  72503 303521637      521538        s-trans-Propenoic acid
  181752.0549  0.0036 -4.7962 3  211.0918 49  72503 3032419 5      2319 4        s-trans-Propenoic acid
  181752.0549  0.0036 -4.7962 3  211.0918 49  72503 3032419 6      2319 5        s-trans-Propenoic acid
  181758.2191  0.0517 -6.3147 3  687.8331127  72503 303632341      622438        s-trans-Propenoic acid
  181759.5513  0.0517 -6.3147 3  687.8331127  72503 303632340      622439        s-trans-Propenoic acid
  181870.2582  0.0048 -4.9694 3  215.1800 61  72503 303301416      301317        s-trans-Propenoic acid
  181872.0333  0.0048 -4.9693 3  215.1800 61  72503 303301417      301318        s-trans-Propenoic acid
  181879.6870  0.0154 -5.1972 3  501.4665111  72503 303551541      551442        s-trans-Propenoic acid
  181890.4425  0.0032 -4.7088 3  202.5534 49  72503 3032418 6      2318 5        s-trans-Propenoic acid
  181890.4425  0.0032 -4.7088 3  202.5534 49  72503 3032418 7      2318 6        s-trans-Propenoic acid
  181918.2691  0.0035 -5.1832 3  152.8035 53  72503 30326 620      25 719        s-trans-Propenoic acid
  181943.7788  0.0050 -5.3200 3  169.8780 57  72503 30328 721      27 820        s-trans-Propenoic acid
  182019.4785  0.0727 -5.4407 3  655.1127129  72503 303641648      641549        s-trans-Propenoic acid
  182028.6334  0.0060 -5.6624 3  370.8627 95  72503 303471037      471038        s-trans-Propenoic acid
  182044.2800  0.3184 -5.8966 3  937.8900155  72503 303772255      772156        s-trans-Propenoic acid
  182052.1228  0.0028 -4.6347 3  194.4819 49  72503 3032417 7      2317 6        s-trans-Propenoic acid
  182052.1228  0.0028 -4.6347 3  194.4819 49  72503 3032417 8      2317 7        s-trans-Propenoic acid
  182074.1064  0.0032 -6.5416 3   74.4849 23  72503 30311 5 6      10 3 7        s-trans-Propenoic acid
  182110.0317  0.0015 -4.2464 3  130.5851 47  72503 30323 518      22 517        s-trans-Propenoic acid
  182126.3325  0.0022 -5.1511 3   86.9596 29  72503 30314 6 8      13 5 9        s-trans-Propenoic acid
  182129.6446  0.0074 -4.9991 3  334.4107 85  72503 303421527      421428        s-trans-Propenoic acid
  182161.9782  0.0029 -5.6103 3  212.7199 71  72503 30335 431      35 432        s-trans-Propenoic acid
  182162.0194  0.0029 -5.1463 3  212.7199 71  72503 30335 431      35 332        s-trans-Propenoic acid
  182162.9932  0.0029 -5.1463 3  212.7199 71  72503 30335 531      35 432        s-trans-Propenoic acid
  182163.0344  0.0029 -5.6103 3  212.7199 71  72503 30335 531      35 332        s-trans-Propenoic acid
  182243.4596  0.0025 -4.5707 3  186.8783 49  72503 3032416 8      2316 7        s-trans-Propenoic acid
  182243.4596  0.0025 -4.5707 3  186.8783 49  72503 3032416 9      2316 8        s-trans-Propenoic acid
  182299.4917  0.0058 -5.0718 3  370.8537 95  72503 303471037      47 938        s-trans-Propenoic acid
  182473.1663  0.0022 -4.5146 3  179.7444 49  72503 3032415 9      2315 8        s-trans-Propenoic acid
  182473.1663  0.0022 -4.5146 3  179.7444 49  72503 303241510      2315 9        s-trans-Propenoic acid
  182585.7667  0.0049 -4.9747 3  207.4865 59  72503 303291415      291316        s-trans-Propenoic acid
  182586.4950  0.0049 -4.9747 3  207.4865 59  72503 303291416      291317        s-trans-Propenoic acid
  182672.6297  0.0216 -5.2175 3  522.2538113  72503 303561641      561542        s-trans-Propenoic acid
  182753.4873  0.0019 -4.4649 3  173.0822 49  72503 303241411      231410        s-trans-Propenoic acid
  182753.4874  0.0019 -4.4649 3  173.0822 49  72503 303241410      2314 9        s-trans-Propenoic acid
  182771.4857  0.0038 -6.6009 3  105.5229 35  72503 30317 810      17 611        s-trans-Propenoic acid
  182807.1386  0.0037 -6.1163 3  122.5268 43  72503 30321 714      21 417        s-trans-Propenoic acid
  182827.7712  0.0687 -5.3128 3  581.4098119  72503 303591841      591742        s-trans-Propenoic acid
  182862.6515  0.0225 -5.2061 3  494.9380111  72503 303551342      551243        s-trans-Propenoic acid
  182868.5748  0.0066 -5.0902 3  401.6645 99  72503 303491238      491139        s-trans-Propenoic acid
  182941.4029  0.0599 -6.3902 3  731.2575131  72503 303652442      642539        s-trans-Propenoic acid
  182941.8835  0.0599 -6.3902 3  731.2575131  72503 303652441      642540        s-trans-Propenoic acid
  183018.2638  0.0071 -4.9950 3  334.3774 85  72503 303421528      421429        s-trans-Propenoic acid
  183102.1914  0.0017 -4.4206 3  166.8949 49  72503 303241312      231311        s-trans-Propenoic acid
  183102.1945  0.0017 -4.4206 3  166.8949 49  72503 303241311      231310        s-trans-Propenoic acid
  183157.4659  0.0182 -5.1191 3  451.1601103  72503 303511636      511537        s-trans-Propenoic acid
  183224.1775  0.0051 -4.9824 3  200.0601 57  72503 303281414      281315        s-trans-Propenoic acid
  183224.4643  0.0051 -4.9824 3  200.0601 57  72503 303281415      281316        s-trans-Propenoic acid
  183407.5579  0.0015 -4.2395 3  137.0858 49  72503 30324 619      23 618        s-trans-Propenoic acid
  183416.3112  0.0509 -5.3508 3  599.0381123  72503 303611546      611447        s-trans-Propenoic acid
  183478.5223  0.0057 -6.2599 3  147.1121 49  72503 30324 916      24 717        s-trans-Propenoic acid
  183512.0045  0.0015 -4.8540 3  139.8564 51  72503 30325 421      24 520        s-trans-Propenoic acid
  183546.1319  0.0015 -4.3807 3  161.1869 49  72503 303241213      231212        s-trans-Propenoic acid
  183546.2119  0.0015 -4.3807 3  161.1869 49  72503 303241212      231211        s-trans-Propenoic acid
  183548.6926  0.0294 -6.5747 3  451.7235105  72503 303521339      511536        s-trans-Propenoic acid
  183597.1773  0.0370 -5.1899 3  499.5226109  72503 303541737      541638        s-trans-Propenoic acid
  183659.8545  0.0039 -5.7932 3  177.4255 65  72503 30332 230      32 231        s-trans-Propenoic acid
  183659.8547  0.0039 -5.3644 3  177.4255 65  72503 30332 230      32 131        s-trans-Propenoic acid
  183659.8656  0.0039 -5.3644 3  177.4255 65  72503 30332 330      32 231        s-trans-Propenoic acid
  183659.8658  0.0039 -5.7932 3  177.4255 65  72503 30332 330      32 131        s-trans-Propenoic acid
  183675.5590  0.0063 -5.7056 3  401.6376 99  72503 303491238      491039        s-trans-Propenoic acid
  183705.5805  0.0016 -4.1435 3  145.2271 59  72503 30329 029      28 028        s-trans-Propenoic acid
  183705.5805  0.0016 -4.5377 3  145.2271 59  72503 30329 029      28 128        s-trans-Propenoic acid
  183705.5805  0.0016 -4.5377 3  145.2271 59  72503 30329 129      28 028        s-trans-Propenoic acid
  183705.5805  0.0016 -4.1435 3  145.2271 59  72503 30329 129      28 128        s-trans-Propenoic acid
  183711.4835  0.0015 -4.5948 3  144.7098 57  72503 30328 127      27 226        s-trans-Propenoic acid
  183711.4883  0.0015 -4.1638 3  144.7098 57  72503 30328 227      27 226        s-trans-Propenoic acid
  183711.4939  0.0015 -4.1638 3  144.7098 57  72503 30328 127      27 126        s-trans-Propenoic acid
  183711.4987  0.0015 -4.5948 3  144.7098 57  72503 30328 227      27 126        s-trans-Propenoic acid
  183712.7031  0.0344 -5.2723 3  545.6429117  72503 303581444      581345        s-trans-Propenoic acid
  183748.4373  0.0084 -5.7685 3  433.6286103  72503 303511339      511140        s-trans-Propenoic acid
  183753.1506  0.0015 -4.6611 3  143.6635 55  72503 30327 225      26 324        s-trans-Propenoic acid
  183753.5946  0.0015 -4.1834 3  143.6635 55  72503 30327 325      26 324        s-trans-Propenoic acid
  183754.0642  0.0015 -4.1834 3  143.6635 55  72503 30327 225      26 224        s-trans-Propenoic acid
  183754.5082  0.0015 -4.6611 3  143.6635 55  72503 30327 325      26 224        s-trans-Propenoic acid
  183792.8609  0.0052 -4.9925 3  192.8996 55  72503 303271413      271314        s-trans-Propenoic acid
  183792.9691  0.0052 -4.9925 3  192.8996 55  72503 303271414      271315        s-trans-Propenoic acid
  183818.9050  0.0085 -5.6000 3  271.4091 77  72503 303381127      371226        s-trans-Propenoic acid
  183867.5922  0.0027 -5.5717 3  235.8376 75  72503 30337 532      37 533        s-trans-Propenoic acid
  183867.6996  0.0015 -4.7420 3  142.0596 53  72503 30326 323      25 422        s-trans-Propenoic acid
  183867.8477  0.0027 -5.0898 3  235.8376 75  72503 30337 532      37 433        s-trans-Propenoic acid
  183872.5432  0.0027 -5.0898 3  235.8376 75  72503 30337 632      37 533        s-trans-Propenoic acid
  183872.7987  0.0027 -5.5717 3  235.8376 75  72503 30337 632      37 433        s-trans-Propenoic acid
  183889.5559  0.0015 -4.2017 3  142.0596 53  72503 30326 423      25 422        s-trans-Propenoic acid
  183909.8521  0.0015 -4.2016 3  142.0582 53  72503 30326 323      25 322        s-trans-Propenoic acid
  183931.7085  0.0015 -4.7417 3  142.0582 53  72503 30326 423      25 322        s-trans-Propenoic acid
  183955.0431  0.0068 -5.7922 3  340.5255 89  72503 303441233      431330        s-trans-Propenoic acid
  184008.7669  0.0087 -5.8609 3  352.2944 91  72503 303451234      441331        s-trans-Propenoic acid
  184009.0694  0.0172 -5.8683 3  439.3161103  72503 303511438      511239        s-trans-Propenoic acid
  184066.8716  0.0048 -6.5674 3  102.1337 35  72503 30317 710      17 413        s-trans-Propenoic acid
  184116.3823  0.0015 -4.2186 3  139.8564 51  72503 30325 521      24 520        s-trans-Propenoic acid
  184125.6939  0.1674 -5.5711 3  748.0095137  72503 303682048      681949        s-trans-Propenoic acid
  184127.6981  0.0014 -4.3446 3  155.9653 49  72503 303241114      231113        s-trans-Propenoic acid
  184129.3201  0.0014 -4.3446 3  155.9653 49  72503 303241113      231112        s-trans-Propenoic acid
  184176.6218  0.0689 -6.4687 3  776.1464135  72503 303672543      662640        s-trans-Propenoic acid
  184176.7933  0.0689 -6.4687 3  776.1464135  72503 303672542      662641        s-trans-Propenoic acid
  184180.9527  0.0146 -5.8524 3  452.9678105  72503 303521439      521240        s-trans-Propenoic acid
  184228.1225  0.0103 -5.7501 3  374.8506 93  72503 303461433      451530        s-trans-Propenoic acid
  184273.7505  0.0049 -5.0629 3  370.8627 95  72503 303471137      471038        s-trans-Propenoic acid
  184298.3344  0.0054 -5.0052 3  186.0039 53  72503 303261412      261313        s-trans-Propenoic acid
  184298.3733  0.0054 -5.0052 3  186.0039 53  72503 303261413      261314        s-trans-Propenoic acid
  184317.0198  0.0113 -5.6887 3  334.3774 87  72503 303431330      421429        s-trans-Propenoic acid
  184336.7140  0.0068 -4.9829 3  323.4478 83  72503 303411526      411427        s-trans-Propenoic acid
  184367.4002  0.0033 -6.3950 3  120.1250 41  72503 30320 812      20 615        s-trans-Propenoic acid
  184528.9421  0.0040 -5.6117 3  341.3087 91  72503 30345 936      45 937        s-trans-Propenoic acid
  184544.6087  0.0048 -5.6513 3  370.8537 95  72503 303471137      47 938        s-trans-Propenoic acid
  184577.7260  0.0015 -4.2163 3  139.8208 51  72503 30325 421      24 420        s-trans-Propenoic acid
  184612.3332  0.0040 -5.0473 3  341.3059 91  72503 30345 936      45 837        s-trans-Propenoic acid
  184620.7136  0.0019 -4.9930 3  143.2037 51  72503 30325 520      24 619        s-trans-Propenoic acid
  184683.3149  0.0034 -6.4507 3  114.9583 39  72503 30319 811      19 614        s-trans-Propenoic acid
  184746.4342  0.0056 -5.0209 3  179.3719 51  72503 303251411      251312        s-trans-Propenoic acid
  184746.4475  0.0056 -5.0209 3  179.3719 51  72503 303251412      251313        s-trans-Propenoic acid
  184749.7220  0.0018 -4.2539 3  134.4677 47  72503 30323 716      22 715        s-trans-Propenoic acid
  184760.6356  0.0024 -5.1490 3   90.7149 31  72503 30315 610      14 5 9        s-trans-Propenoic acid
  184776.2078  0.2163 -5.8734 3  926.5324155  72503 303772057      771958        s-trans-Propenoic acid
  184823.7193  0.0067 -4.9807 3  323.4297 83  72503 303411527      411428        s-trans-Propenoic acid
  184911.5073  0.0033 -6.3487 3  125.5397 43  72503 30321 813      21 616        s-trans-Propenoic acid
  184911.9246  0.0014 -4.3115 3  151.2408 49  72503 303241015      231014        s-trans-Propenoic acid
  184936.9616  0.0014 -4.3114 3  151.2414 49  72503 303241014      231013        s-trans-Propenoic acid
  184964.5700  0.0168 -5.0963 3  437.7333101  72503 303501635      501536        s-trans-Propenoic acid
  185065.5819  0.0026 -5.5563 3  260.2676 79  72503 30339 633      39 634        s-trans-Propenoic acid
  185066.9025  0.0026 -5.0557 3  260.2675 79  72503 30339 633      39 534        s-trans-Propenoic acid
  185086.4821  0.0026 -5.0556 3  260.2676 79  72503 30339 733      39 634        s-trans-Propenoic acid
  185087.8028  0.0026 -5.5562 3  260.2675 79  72503 30339 733      39 534        s-trans-Propenoic acid
  185142.4361  0.0058 -5.0400 3  173.0025 49  72503 303241410      241311        s-trans-Propenoic acid
  185142.4404  0.0058 -5.0400 3  173.0025 49  72503 303241411      241312        s-trans-Propenoic acid
  185143.5435  0.0220 -5.2313 3  537.2079115  72503 303571642      571543        s-trans-Propenoic acid
  185167.6708  0.3623 -6.6807 3  947.7275157  72503 303782058      782059        s-trans-Propenoic acid
  185182.1037  0.0015 -4.8455 3  139.8208 51  72503 30325 521      24 420        s-trans-Propenoic acid
  185185.5063  0.0029 -6.6849 3   72.3173 23  72503 30311 4 8      10 2 9        s-trans-Propenoic acid
  185332.9409  0.0037 -5.0440 3  341.3087 91  72503 303451036      45 937        s-trans-Propenoic acid
  185416.3320  0.0037 -5.6078 3  341.3059 91  72503 303451036      45 837        s-trans-Propenoic acid
  185456.4195  0.0789 -6.5504 3  822.4985139  72503 303692644      682741        s-trans-Propenoic acid
  185456.4801  0.0789 -6.5504 3  822.4985139  72503 303692643      682742        s-trans-Propenoic acid
  185491.1433  0.0060 -5.0629 3  166.8949 47  72503 3032314 9      231310        s-trans-Propenoic acid
  185491.1446  0.0060 -5.0629 3  166.8949 47  72503 303231410      231311        s-trans-Propenoic acid
  185546.3320  0.0034 -6.5151 3  110.0457 37  72503 30318 810      18 613        s-trans-Propenoic acid
  185583.5495  0.0031 -5.5778 3  313.0159 87  72503 30343 835      43 836        s-trans-Propenoic acid
  185606.9310  0.0031 -5.0364 3  313.0151 87  72503 30343 835      43 736        s-trans-Propenoic acid
  185615.2550  0.0133 -5.7883 3  405.5273 97  72503 303481534      471631        s-trans-Propenoic acid
  185652.5489  0.0160 -5.0672 3  411.8538 97  72503 303481632      481533        s-trans-Propenoic acid
  185680.6171  0.0027 -5.5592 3  285.9978 83  72503 30341 734      41 735        s-trans-Propenoic acid
  185686.5210  0.0027 -5.0388 3  285.9976 83  72503 30341 734      41 635        s-trans-Propenoic acid
  185702.1370  0.0031 -6.3789 3   77.4628 25  72503 30312 5 7      11 3 8        s-trans-Propenoic acid
  185758.7767  0.0027 -5.0385 3  285.9978 83  72503 30341 834      41 735        s-trans-Propenoic acid
  185764.6806  0.0027 -5.5588 3  285.9976 83  72503 30341 834      41 635        s-trans-Propenoic acid
  185796.9530  0.0062 -5.0903 3  161.0481 45  72503 3032214 8      2213 9        s-trans-Propenoic acid
  185796.9533  0.0062 -5.0903 3  161.0481 45  72503 3032214 9      221310        s-trans-Propenoic acid
  185846.5245  0.0030 -5.0353 3  313.0159 87  72503 30343 935      43 836        s-trans-Propenoic acid
  185869.9060  0.0030 -5.5766 3  313.0151 87  72503 30343 935      43 736        s-trans-Propenoic acid
  185918.5951  0.0036 -6.6783 3  101.0706 33  72503 30316 8 9      16 610        s-trans-Propenoic acid
  185929.4118  0.0029 -4.9119 3   81.8850 19  72503 303 9 9 0       8 8 1        s-trans-Propenoic acid
  185929.4118  0.0029 -4.9119 3   81.8850 19  72503 303 9 9 1       8 8 0        s-trans-Propenoic acid
  185945.1702  0.0014 -4.2810 3  147.0298 49  72503 30324 916      23 915        s-trans-Propenoic acid
  185960.1587  0.0068 -5.4753 3  216.5918 67  72503 30333 924      321023        s-trans-Propenoic acid
  186004.9546  0.5395 -6.4394 3 1253.6889181  72503 303902565      902466        s-trans-Propenoic acid
  186063.9092  0.0064 -5.1233 3  155.4613 43  72503 3032114 7      2113 8        s-trans-Propenoic acid
  186063.9093  0.0064 -5.1233 3  155.4613 43  72503 3032114 8      2113 9        s-trans-Propenoic acid
  186227.4262  0.0014 -4.2797 3  147.0386 49  72503 30324 915      23 914        s-trans-Propenoic acid
  186240.3821  0.0064 -4.9692 3  312.7732 81  72503 303401525      401426        s-trans-Propenoic acid
  186267.1227  0.4127 -6.0423 3 1030.3382163  72503 303812358      812259        s-trans-Propenoic acid
  186280.9854  0.0034 -5.6664 3  198.5076 69  72503 30334 331      34 332        s-trans-Propenoic acid
  186280.9878  0.0034 -5.2214 3  198.5076 69  72503 30334 331      34 232        s-trans-Propenoic acid
  186281.0702  0.0034 -5.2214 3  198.5076 69  72503 30334 431      34 332        s-trans-Propenoic acid
  186281.0726  0.0034 -5.6664 3  198.5076 69  72503 30334 431      34 232        s-trans-Propenoic acid
  186289.1145  0.0092 -5.7067 3  414.2968101  72503 303501139      501140        s-trans-Propenoic acid
  186295.7446  0.0066 -5.1631 3  150.1336 41  72503 3032014 6      2013 7        s-trans-Propenoic acid
  186295.7446  0.0066 -5.1631 3  150.1336 41  72503 3032014 7      2013 8        s-trans-Propenoic acid
  186323.4647  0.0166 -5.8366 3  437.6880101  72503 303501635      491732        s-trans-Propenoic acid
  186477.9467  0.0203 -5.8850 3  425.8208101  72503 303501437      501238        s-trans-Propenoic acid
  186495.9137  0.0068 -5.2118 3  145.0644 39  72503 3031914 5      1913 6        s-trans-Propenoic acid
  186495.9137  0.0068 -5.2118 3  145.0644 39  72503 3031914 6      1913 7        s-trans-Propenoic acid
  186500.1070  0.0063 -4.9680 3  312.7636 81  72503 303401526      401427        s-trans-Propenoic acid
  186515.3947  0.0132 -5.8373 3  466.7831107  72503 303531440      531241        s-trans-Propenoic acid
  186566.7170  0.0015 -4.2381 3  140.1097 49  72503 30324 718      23 717        s-trans-Propenoic acid
  186619.1523  0.1319 -6.2692 3  731.9546137  72503 303681751      681752        s-trans-Propenoic acid
  186667.6213  0.0070 -5.2726 3  140.2530 37  72503 3031814 4      1813 5        s-trans-Propenoic acid
  186667.6213  0.0070 -5.2726 3  140.2530 37  72503 3031814 5      1813 6        s-trans-Propenoic acid
  186680.5892  0.3113 -6.5749 3 1329.0289187  72503 303932568      932469        s-trans-Propenoic acid
  186691.4350  0.0034 -6.3131 3  131.1957 45  72503 30322 814      22 617        s-trans-Propenoic acid
  186705.5012  0.0034 -6.5884 3  105.3925 35  72503 30317 8 9      17 612        s-trans-Propenoic acid
  186763.1059  0.0089 -5.0984 3  414.2810101  72503 303501139      501040        s-trans-Propenoic acid
  186774.7387  0.0899 -6.6353 3  870.3127143  72503 303712745      702842        s-trans-Propenoic acid
  186774.7599  0.0899 -6.6353 3  870.3127143  72503 303712744      702843        s-trans-Propenoic acid
  186813.8443  0.0072 -5.3508 3  135.6986 35  72503 3031714 3      1713 4        s-trans-Propenoic acid
  186813.8443  0.0072 -5.3508 3  135.6986 35  72503 3031714 4      1713 5        s-trans-Propenoic acid
  186819.8048  0.0203 -5.8909 3  471.3270105  72503 303521736      511833        s-trans-Propenoic acid
  186833.0389  0.0165 -5.2024 3  516.0218113  72503 303561542      561443        s-trans-Propenoic acid
  186849.5371  0.0030 -6.3761 3   72.2618 23  72503 30311 4 8      10 1 9        s-trans-Propenoic acid
  186886.5587  0.0047 -5.6208 3  164.2333 63  72503 30331 130      31 031        s-trans-Propenoic acid
  186886.5587  0.0047 -6.0332 3  164.2333 63  72503 30331 130      31 131        s-trans-Propenoic acid
  186886.5592  0.0047 -6.0332 3  164.2333 63  72503 30331 230      31 031        s-trans-Propenoic acid
  186886.5592  0.0047 -5.6208 3  164.2333 63  72503 30331 230      31 131        s-trans-Propenoic acid
  186887.3793  0.3486 -6.4277 3 1247.4550181  72503 303902466      902367        s-trans-Propenoic acid
  186925.1513  0.0015 -4.2544 3  143.3418 49  72503 30324 817      23 816        s-trans-Propenoic acid
  186937.3506  0.0074 -5.4566 3  131.4006 33  72503 3031614 2      1613 3        s-trans-Propenoic acid
  186937.3506  0.0074 -5.4566 3  131.4006 33  72503 3031614 3      1613 4        s-trans-Propenoic acid
  186999.3493  0.0154 -5.0737 3  424.5851 99  72503 303491634      491535        s-trans-Propenoic acid
  187004.3545  0.0126 -5.1605 3  480.8876109  72503 303541441      541342        s-trans-Propenoic acid
  187040.7140  0.0076 -5.6129 3  127.3584 31  72503 3031514 1      1513 2        s-trans-Propenoic acid
  187040.7140  0.0076 -5.6129 3  127.3584 31  72503 3031514 2      1513 3        s-trans-Propenoic acid
  187126.3260  0.0078 -5.8935 3  123.5716 29  72503 3031414 0      1413 1        s-trans-Propenoic acid
  187126.3260  0.0078 -5.8935 3  123.5716 29  72503 3031414 1      1413 2        s-trans-Propenoic acid
  187146.0361  0.0025 -4.9681 3   83.2258 23  72503 30311 8 4      10 7 3        s-trans-Propenoic acid
  187146.2098  0.0025 -4.9681 3   83.2258 23  72503 30311 8 3      10 7 4        s-trans-Propenoic acid
  187326.1581  0.0245 -5.9495 3  506.4411109  72503 303541837      531934        s-trans-Propenoic acid
  187346.2216  0.4339 -6.6773 3 1387.0090191  72503 303952669      952570        s-trans-Propenoic acid
  187527.4239  0.0576 -6.3638 3  509.7665113  72503 303561443      551540        s-trans-Propenoic acid
  187620.9103  0.0211 -5.8871 3  471.3255105  72503 303521735      511834        s-trans-Propenoic acid
  187629.6965  0.0054 -6.3481 3  114.4688 41  72503 30320 614      20 317        s-trans-Propenoic acid
  187652.4595  0.0036 -5.7392 3   82.8923 29  72503 30314 410      13 311        s-trans-Propenoic acid
  187652.8944  0.0249 -5.9480 3  506.4405109  72503 303541836      531935        s-trans-Propenoic acid
  187678.3083  0.0016 -4.2155 3  136.6596 49  72503 30324 519      23 518        s-trans-Propenoic acid
  187690.5007  0.0016 -4.2229 3  132.4026 47  72503 30323 617      22 616        s-trans-Propenoic acid
  187773.5492  0.0273 -6.1343 3  433.4943103  72503 303511339      501436        s-trans-Propenoic acid
  187822.4918  0.0046 -6.4647 3  128.2027 45  72503 30322 715      22 518        s-trans-Propenoic acid
  187848.2953  0.0027 -5.3780 3   88.4272 31  72503 30315 510      14 411        s-trans-Propenoic acid
  187906.3468  0.0061 -4.9576 3  302.3826 79  72503 303391524      391425        s-trans-Propenoic acid
  187929.6114  0.0292 -6.0116 3  543.0277113  72503 303561938      552035        s-trans-Propenoic acid
  187970.2888  0.0035 -6.6715 3  101.0025 33  72503 30316 8 8      16 611        s-trans-Propenoic acid
  188041.1465  0.0061 -4.9570 3  302.3777 79  72503 303391525      391426        s-trans-Propenoic acid
  188046.9937  0.0023 -5.0322 3   86.1038 27  72503 30313 7 7      12 6 6        s-trans-Propenoic acid
  188059.4877  0.0294 -6.0110 3  543.0275113  72503 303561937      552036        s-trans-Propenoic acid
  188127.1124  0.0023 -5.0319 3   86.1014 27  72503 30313 7 6      12 6 7        s-trans-Propenoic acid
  188227.5342  0.0182 -5.8273 3  437.6840101  72503 303501634      491733        s-trans-Propenoic acid
  188270.5087  0.0095 -5.1203 3  446.9780105  72503 303521340      521241        s-trans-Propenoic acid
  188339.7281  0.0033 -6.6743 3   70.4385 23  72503 30311 3 9      10 010        s-trans-Propenoic acid
  188345.6909  0.1776 -5.7478 3  858.9455149  72503 303741955      741856        s-trans-Propenoic acid
  188497.8385  0.0030 -5.5954 3  220.9258 73  72503 30336 432      36 433        s-trans-Propenoic acid
  188497.8584  0.0030 -5.1338 3  220.9258 73  72503 30336 432      36 333        s-trans-Propenoic acid
  188498.3493  0.0030 -5.1338 3  220.9258 73  72503 30336 532      36 433        s-trans-Propenoic acid
  188498.3692  0.0030 -5.5954 3  220.9258 73  72503 30336 532      36 333        s-trans-Propenoic acid
  188586.2481  0.0226 -5.2428 3  552.3873117  72503 303581643      581544        s-trans-Propenoic acid
  188652.3643  0.0346 -6.0768 3  581.0852117  72503 303582039      572136        s-trans-Propenoic acid
  188702.8745  0.0347 -6.0766 3  581.0851117  72503 303582038      572137        s-trans-Propenoic acid
  188799.9822  0.0311 -6.6549 3  494.7400111  72503 303551342      541539        s-trans-Propenoic acid
  188889.0674  0.0061 -5.5390 3  266.8063 51  72503 3032524 1      2424 0        s-trans-Propenoic acid
  188889.0674  0.0061 -5.5390 3  266.8063 51  72503 3032524 2      2424 1        s-trans-Propenoic acid
  188921.2456  0.3603 -6.2808 3 1168.4818175  72503 303872364      872265        s-trans-Propenoic acid
  188938.4014  0.2334 -5.6901 3  830.1288145  72503 303722151      722052        s-trans-Propenoic acid
  188969.5594  0.1034 -5.4008 3  653.1821127  72503 303631944      631845        s-trans-Propenoic acid
  188972.2750  0.0056 -5.2239 3  255.9469 51  72503 3032523 2      2423 1        s-trans-Propenoic acid
  188972.2750  0.0056 -5.2239 3  255.9469 51  72503 3032523 3      2423 2        s-trans-Propenoic acid
  189023.9931  0.0071 -6.1134 3  186.0297 59  72503 303291020      29 821        s-trans-Propenoic acid
  189025.4370  0.0016 -4.2446 3  143.4284 49  72503 30324 816      23 815        s-trans-Propenoic acid
  189064.8550  0.0050 -5.0349 3  245.5514 51  72503 3032522 3      2422 2        s-trans-Propenoic acid
  189064.8550  0.0050 -5.0349 3  245.5514 51  72503 3032522 4      2422 3        s-trans-Propenoic acid
  189139.8617  0.0141 -5.0517 3  411.7187 97  72503 303481633      481534        s-trans-Propenoic acid
  189147.7012  0.0025 -5.1455 3   94.6932 33  72503 30316 611      15 510        s-trans-Propenoic acid
  189168.7665  0.0045 -4.8981 3  235.6205 51  72503 3032521 4      2421 3        s-trans-Propenoic acid
  189168.7665  0.0045 -4.8981 3  235.6205 51  72503 3032521 5      2421 4        s-trans-Propenoic acid
  189225.3599  0.0138 -5.0398 3  399.2154 95  72503 303471631      471532        s-trans-Propenoic acid
  189286.4841  0.0041 -4.7905 3  226.1546 51  72503 3032520 5      2420 4        s-trans-Propenoic acid
  189286.4841  0.0041 -4.7905 3  226.1546 51  72503 3032520 6      2420 5        s-trans-Propenoic acid
  189380.3707  0.0060 -4.9479 3  292.2729 77  72503 303381523      381424        s-trans-Propenoic acid
  189421.1722  0.0036 -4.7017 3  217.1544 51  72503 3032519 6      2419 5        s-trans-Propenoic acid
  189421.1722  0.0036 -4.7017 3  217.1544 51  72503 3032519 7      2419 6        s-trans-Propenoic acid
  189448.4402  0.0059 -4.9476 3  292.2704 77  72503 303381524      381425        s-trans-Propenoic acid
  189463.0144  0.0078 -5.7167 3  357.2257 91  72503 303451333      441430        s-trans-Propenoic acid
  189489.6998  0.0407 -6.1451 3  620.6120121  72503 303602140      592237        s-trans-Propenoic acid
  189508.9769  0.0407 -6.1450 3  620.6120121  72503 303602139      592238        s-trans-Propenoic acid
  189576.9352  0.0032 -4.6263 3  208.6206 51  72503 3032518 7      2418 6        s-trans-Propenoic acid
  189576.9352  0.0032 -4.6263 3  208.6206 51  72503 3032518 8      2418 7        s-trans-Propenoic acid
  189612.1610  0.0091 -5.7527 3  446.9333105  72503 303521340      521141        s-trans-Propenoic acid
  189637.7018  0.0312 -5.1471 3  485.1395107  72503 303531736      531637        s-trans-Propenoic acid
  189674.7288  0.0146 -5.7649 3  460.4562107  72503 303531241      531242        s-trans-Propenoic acid
  189759.1837  0.0028 -4.5609 3  200.5545 51  72503 3032517 8      2417 7        s-trans-Propenoic acid
  189759.1837  0.0028 -4.5609 3  200.5545 51  72503 3032517 9      2417 8        s-trans-Propenoic acid
  189851.9547  0.0030 -6.2212 3   80.7066 27  72503 30313 5 8      12 3 9        s-trans-Propenoic acid
  189881.8382  0.0070 -5.0847 3  414.2968101  72503 303501239      501140        s-trans-Propenoic acid
  189905.1189  0.0041 -5.7780 3  184.5914 67  72503 30333 231      33 232        s-trans-Propenoic acid
  189905.1190  0.0041 -5.3504 3  184.5914 67  72503 30333 231      33 132        s-trans-Propenoic acid
  189905.1241  0.0041 -5.3504 3  184.5914 67  72503 30333 331      33 232        s-trans-Propenoic acid
  189905.1242  0.0041 -5.7780 3  184.5914 67  72503 30333 331      33 132        s-trans-Propenoic acid
  189930.1793  0.0016 -4.1128 3  151.3549 61  72503 30330 030      29 029        s-trans-Propenoic acid
  189930.1793  0.0016 -4.5063 3  151.3549 61  72503 30330 030      29 129        s-trans-Propenoic acid
  189930.1793  0.0016 -4.5063 3  151.3549 61  72503 30330 130      29 029        s-trans-Propenoic acid
  189930.1793  0.0016 -4.1128 3  151.3549 61  72503 30330 130      29 129        s-trans-Propenoic acid
  189935.1822  0.0015 -4.5613 3  150.8377 59  72503 30329 128      28 227        s-trans-Propenoic acid
  189935.1844  0.0015 -4.1323 3  150.8377 59  72503 30329 228      28 227        s-trans-Propenoic acid
  189935.1870  0.0015 -4.1323 3  150.8377 59  72503 30329 128      28 127        s-trans-Propenoic acid
  189935.1892  0.0015 -4.5613 3  150.8377 59  72503 30329 228      28 127        s-trans-Propenoic acid
  189952.5062  0.0058 -5.6421 3  382.8538 97  72503 303481038      481039        s-trans-Propenoic acid
  189968.0167  0.0161 -5.7666 3  405.5171 97  72503 303481533      471632        s-trans-Propenoic acid
  189972.7281  0.0015 -4.6245 3  149.7929 57  72503 30328 226      27 325        s-trans-Propenoic acid
  189972.9425  0.0015 -4.1511 3  149.7929 57  72503 30328 326      27 325        s-trans-Propenoic acid
  189973.1721  0.0015 -4.1511 3  149.7929 57  72503 30328 226      27 225        s-trans-Propenoic acid
  189973.3865  0.0015 -4.6245 3  149.7929 57  72503 30328 326      27 225        s-trans-Propenoic acid
  189975.1856  0.0025 -4.5034 3  192.9573 51  72503 3032516 9      2416 8        s-trans-Propenoic acid
  189975.1856  0.0025 -4.5034 3  192.9573 51  72503 303251610      2416 9        s-trans-Propenoic acid
  190011.2538  0.0015 -4.8020 3  145.9978 53  72503 30326 422      25 521        s-trans-Propenoic acid
  190054.7983  0.0015 -4.2026 3  143.2037 51  72503 30325 620      24 619        s-trans-Propenoic acid
  190085.3808  0.0015 -4.7007 3  148.1935 55  72503 30327 324      26 423        s-trans-Propenoic acid
  190096.5997  0.0015 -4.1688 3  148.1935 55  72503 30327 424      26 423        s-trans-Propenoic acid
  190107.0113  0.0057 -5.0614 3  382.8487 97  72503 303481038      48 939        s-trans-Propenoic acid
  190107.2372  0.0015 -4.1688 3  148.1927 55  72503 30327 324      26 323        s-trans-Propenoic acid
  190118.4560  0.0015 -4.7005 3  148.1927 55  72503 30327 424      26 323        s-trans-Propenoic acid
  190145.1160  0.0036 -6.2906 3  137.0858 47  72503 30323 815      23 618        s-trans-Propenoic acid
  190191.5379  0.0515 -6.6489 3  499.5226111  72503 303551441      541638        s-trans-Propenoic acid
  190234.9251  0.0022 -4.4524 3  185.8310 51  72503 303251511      241510        s-trans-Propenoic acid
  190234.9252  0.0022 -4.4524 3  185.8310 51  72503 303251510      2415 9        s-trans-Propenoic acid
  190238.1374  0.0161 -5.9106 3  345.3697 89  72503 303441332      441133        s-trans-Propenoic acid
  190278.8677  0.0028 -5.5573 3  244.6689 77  72503 30338 533      38 534        s-trans-Propenoic acid
  190278.9947  0.0028 -5.0786 3  244.6689 77  72503 30338 533      38 434        s-trans-Propenoic acid
  190281.4338  0.0028 -5.0786 3  244.6689 77  72503 30338 633      38 534        s-trans-Propenoic acid
  190281.5609  0.0028 -5.5573 3  244.6689 77  72503 30338 633      38 434        s-trans-Propenoic acid
  190347.8637  0.0015 -4.1849 3  145.9978 53  72503 30326 522      25 521        s-trans-Propenoic acid
  190355.8296  0.0068 -5.6895 3  414.2810101  72503 303501239      501040        s-trans-Propenoic acid
  190357.7700  0.0022 -5.1354 3   90.5614 31  72503 30315 6 9      14 510        s-trans-Propenoic acid
  190411.8117  0.5231 -6.1997 3 1127.3857171  72503 303852461      852362        s-trans-Propenoic acid
  190428.0992  0.0476 -6.2164 3  661.6068125  72503 303622241      612338        s-trans-Propenoic acid
  190435.3359  0.0476 -6.2164 3  661.6067125  72503 303622240      612339        s-trans-Propenoic acid
  190437.7064  0.0320 -5.2405 3  558.6778117  72503 303581742      581643        s-trans-Propenoic acid
  190476.7360  0.0137 -5.1379 3  460.4295107  72503 303531241      531142        s-trans-Propenoic acid
  190486.4407  0.0111 -5.9472 3  285.2140 79  72503 303391228      391029        s-trans-Propenoic acid
  190511.7255  0.0129 -5.8230 3  480.7706109  72503 303541441      541242        s-trans-Propenoic acid
  190524.4649  0.0313 -5.2179 3  543.3836115  72503 303571741      571642        s-trans-Propenoic acid
  190552.4972  0.0019 -4.4067 3  179.1782 51  72503 303251412      241411        s-trans-Propenoic acid
  190552.4975  0.0019 -4.4067 3  179.1782 51  72503 303251411      241410        s-trans-Propenoic acid
  190597.6791  0.0876 -6.1386 3  672.2434131  72503 303651649      651650        s-trans-Propenoic acid
  190615.6315  0.0015 -4.1836 3  145.9777 53  72503 30326 422      25 421        s-trans-Propenoic acid
  190694.7303  0.0059 -4.9402 3  282.4411 75  72503 303371522      371423        s-trans-Propenoic acid
  190728.1559  0.0059 -4.9400 3  282.4399 75  72503 303371523      371424        s-trans-Propenoic acid
  190765.9013  0.0086 -6.0133 3  232.0793 69  72503 303341124      34 925        s-trans-Propenoic acid
  190848.4638  0.6310 -6.6189 3 1361.0110189  72503 303942668      942569        s-trans-Propenoic acid
  190884.5497  0.0585 -5.2585 3  565.5680117  72503 303581840      581741        s-trans-Propenoic acid
  190918.2330  0.0043 -6.1029 3  128.0994 45  72503 30322 715      22 418        s-trans-Propenoic acid
  190948.4901  0.0017 -4.3655 3  173.0025 51  72503 303251313      241312        s-trans-Propenoic acid
  190948.4994  0.0017 -4.3655 3  173.0025 51  72503 303251312      241311        s-trans-Propenoic acid
  190952.2415  0.0015 -4.7974 3  145.9777 53  72503 30326 522      25 421        s-trans-Propenoic acid
  191214.5244  0.0323 -5.2612 3  574.2211119  72503 303591743      591644        s-trans-Propenoic acid
  191290.9340  0.0127 -5.0308 3  399.1364 95  72503 303471632      471533        s-trans-Propenoic acid
  191308.5030  0.0051 -5.0561 3  382.8538 97  72503 303481138      481039        s-trans-Propenoic acid
  191347.4368  0.0302 -5.1937 3  528.3471113  72503 303561740      561641        s-trans-Propenoic acid
  191416.2955  0.0219 -6.5397 3  465.7062107  72503 303531340      521537        s-trans-Propenoic acid
  191433.6397  0.0033 -6.1411 3   82.7662 29  72503 30314 410      13 211        s-trans-Propenoic acid
  191452.8477  0.0553 -6.2907 3  704.0683129  72503 303642342      632439        s-trans-Propenoic acid
  191454.2850  0.0015 -4.3282 3  167.3094 51  72503 303251214      241213        s-trans-Propenoic acid
  191454.5010  0.0015 -4.3282 3  167.3094 51  72503 303251213      241212        s-trans-Propenoic acid
  191455.5251  0.0553 -6.2907 3  704.0683129  72503 303642341      632440        s-trans-Propenoic acid
  191463.0080  0.0050 -5.6357 3  382.8487 97  72503 303481138      48 939        s-trans-Propenoic acid
  191581.8570  0.0027 -5.5422 3  269.7258 81  72503 30340 634      40 635        s-trans-Propenoic acid
  191582.5322  0.0027 -5.0456 3  269.7258 81  72503 30340 634      40 535        s-trans-Propenoic acid
  191593.0104  0.0027 -5.0456 3  269.7258 81  72503 30340 734      40 635        s-trans-Propenoic acid
  191593.6856  0.0027 -5.5422 3  269.7258 81  72503 30340 734      40 535        s-trans-Propenoic acid
  191594.2417  0.1373 -5.6292 3  793.9988143  72503 303711853      711754        s-trans-Propenoic acid
  191789.8662  0.0039 -5.5951 3  352.6619 93  72503 30346 937      46 938        s-trans-Propenoic acid
  191836.1237  0.0039 -5.0383 3  352.6604 93  72503 30346 937      46 838        s-trans-Propenoic acid
  191851.9469  0.0051 -6.2934 3  140.6303 47  72503 30323 915      23 716        s-trans-Propenoic acid
  191872.7816  0.0059 -4.9342 3  272.8852 73  72503 303361521      361422        s-trans-Propenoic acid
  191888.7308  0.0059 -4.9341 3  272.8846 73  72503 303361522      361423        s-trans-Propenoic acid
  191926.7710  0.0234 -5.9024 3  412.4792 99  72503 303491436      491237        s-trans-Propenoic acid
  192010.8781  0.0231 -5.8368 3  509.3356113  72503 303561343      561344        s-trans-Propenoic acid
  192079.8497  0.0109 -5.6102 3  307.1310 83  72503 303411229      401328        s-trans-Propenoic acid
  192119.4952  0.0014 -4.2941 3  162.1071 51  72503 303251115      241114        s-trans-Propenoic acid
  192123.4091  0.0014 -4.2941 3  162.1072 51  72503 303251114      241113        s-trans-Propenoic acid
  192194.4545  0.0121 -5.0162 3  386.8837 93  72503 303461630      461531        s-trans-Propenoic acid
  192207.3589  0.3394 -6.1359 3 1092.1137169  72503 303842262      842163        s-trans-Propenoic acid
  192259.4131  0.0037 -5.0365 3  352.6619 93  72503 303461037      46 938        s-trans-Propenoic acid
  192265.4343  0.0027 -5.1465 3   98.9793 35  72503 30317 612      16 511        s-trans-Propenoic acid
  192305.6706  0.0037 -5.5930 3  352.6604 93  72503 303461037      46 838        s-trans-Propenoic acid
  192346.0131  0.0027 -5.5450 3  296.0850 85  72503 30342 735      42 736        s-trans-Propenoic acid
  192349.1147  0.0027 -5.0296 3  296.0849 85  72503 30342 735      42 636        s-trans-Propenoic acid
  192388.9608  0.0027 -5.0295 3  296.0850 85  72503 30342 835      42 736        s-trans-Propenoic acid
  192392.0624  0.0027 -5.5448 3  296.0849 85  72503 30342 835      42 636        s-trans-Propenoic acid
  192473.8386  0.0031 -5.5629 3  323.7346 89  72503 30344 836      44 837        s-trans-Propenoic acid
  192486.4593  0.0031 -5.0277 3  323.7342 89  72503 30344 836      44 737        s-trans-Propenoic acid
  192513.8340  0.0179 -5.2064 3  530.7863115  72503 303571543      571444        s-trans-Propenoic acid
  192550.7248  0.0638 -6.3681 3  747.9954133  72503 303662443      652540        s-trans-Propenoic acid
  192551.7026  0.0638 -6.3681 3  747.9954133  72503 303662442      652541        s-trans-Propenoic acid
  192558.2710  0.0035 -5.6522 3  206.2968 71  72503 30335 332      35 333        s-trans-Propenoic acid
  192558.2722  0.0035 -5.2089 3  206.2968 71  72503 30335 332      35 233        s-trans-Propenoic acid
  192558.3122  0.0035 -5.2089 3  206.2968 71  72503 30335 432      35 333        s-trans-Propenoic acid
  192558.3134  0.0035 -5.6522 3  206.2968 71  72503 30335 432      35 233        s-trans-Propenoic acid
  192622.7141  0.0030 -5.0271 3  323.7346 89  72503 30344 936      44 837        s-trans-Propenoic acid
  192635.3347  0.0030 -5.5623 3  323.7342 89  72503 30344 936      44 737        s-trans-Propenoic acid
  192694.2229  0.0569 -6.0232 3  615.2338125  72503 303621547      621548        s-trans-Propenoic acid
  192755.7503  0.0287 -5.1685 3  513.5766111  72503 303551739      551640        s-trans-Propenoic acid
  192932.0238  0.0060 -4.9299 3  263.6031 71  72503 303351520      351421        s-trans-Propenoic acid
  192939.4114  0.0060 -4.9299 3  263.6028 71  72503 303351521      351422        s-trans-Propenoic acid
  192944.0623  0.0325 -5.2798 3  590.0043121  72503 303601744      601645        s-trans-Propenoic acid
  192952.0217  0.0237 -5.2525 3  567.7849119  72503 303591644      591545        s-trans-Propenoic acid
  193014.8578  0.0014 -4.2626 3  157.4088 51  72503 303251016      241015        s-trans-Propenoic acid
  193068.7737  0.0014 -4.2623 3  157.4103 51  72503 303251015      241014        s-trans-Propenoic acid
  193092.0536  0.0364 -5.9227 3  560.9297119  72503 303591445      591446        s-trans-Propenoic acid
  193113.1987  0.0049 -5.6066 3  170.9839 65  72503 30332 131      32 032        s-trans-Propenoic acid
  193113.1987  0.0049 -6.0184 3  170.9839 65  72503 30332 131      32 132        s-trans-Propenoic acid
  193113.1989  0.0049 -6.0184 3  170.9839 65  72503 30332 231      32 032        s-trans-Propenoic acid
  193113.1989  0.0049 -5.6066 3  170.9839 65  72503 30332 231      32 132        s-trans-Propenoic acid
  193128.6700  0.0016 -4.1864 3  142.9199 51  72503 30325 520      24 519        s-trans-Propenoic acid
  193134.8078  0.0209 -6.5681 3  480.0471109  72503 303541341      531538        s-trans-Propenoic acid
  193162.8051  0.2569 -6.5128 3  879.0854151  72503 303751956      751957        s-trans-Propenoic acid
  193202.2402  0.0016 -4.9127 3  149.5432 53  72503 30326 521      25 620        s-trans-Propenoic acid
  193328.1869  0.0212 -5.1900 3  509.2916113  72503 303561343      561244        s-trans-Propenoic acid
  193384.4614  0.0116 -5.0111 3  386.8387 93  72503 303461631      461532        s-trans-Propenoic acid
  193476.5019  0.3174 -5.8218 3  916.8586153  72503 303762254      762155        s-trans-Propenoic acid
  193485.0218  0.0028 -4.8851 3   84.1571 21  72503 30310 9 2       9 8 1        s-trans-Propenoic acid
  193485.0220  0.0028 -4.8851 3   84.1571 21  72503 30310 9 1       9 8 2        s-trans-Propenoic acid
  193552.8060  0.0137 -5.1604 3  495.0103111  72503 303551442      551343        s-trans-Propenoic acid
  193682.2742  0.0149 -5.7017 3  374.8255 93  72503 303461432      451531        s-trans-Propenoic acid
  193710.6388  0.0733 -6.4485 3  793.3869137  72503 303682544      672641        s-trans-Propenoic acid
  193710.9918  0.0733 -6.4485 3  793.3869137  72503 303682543      672642        s-trans-Propenoic acid
  193886.0864  0.0061 -4.9275 3  254.5932 69  72503 303341519      341420        s-trans-Propenoic acid
  193889.4042  0.0061 -4.9275 3  254.5931 69  72503 303341520      341421        s-trans-Propenoic acid
  193914.9268  0.0109 -5.7245 3  386.8837 95  72503 303471434      461531        s-trans-Propenoic acid
  193984.8158  0.0014 -4.1973 3  146.3329 51  72503 30325 719      24 718        s-trans-Propenoic acid
  194107.5164  0.1009 -5.5193 3  731.7048137  72503 303681751      681652        s-trans-Propenoic acid
  194117.6087  0.0030 -5.1473 3  103.5707 37  72503 30318 613      17 512        s-trans-Propenoic acid
  194143.9522  0.0014 -4.2335 3  153.2323 51  72503 30325 917      24 916        s-trans-Propenoic acid
  194318.5949  0.0018 -4.2001 3  140.6303 49  72503 30324 717      23 716        s-trans-Propenoic acid
  194497.4036  0.0032 -5.0665 3  124.7079 45  72503 30322 617      21 516        s-trans-Propenoic acid
  194522.3713  0.6491 -6.3684 3 1229.0269179  72503 303892564      892465        s-trans-Propenoic acid
  194569.2796  0.0265 -5.1104 3  471.0937105  72503 303521735      521636        s-trans-Propenoic acid
  194584.6416  0.0059 -5.3294 3  196.1742 63  72503 30331 823      30 922        s-trans-Propenoic acid
  194591.3461  0.0269 -5.1428 3  499.0788109  72503 303541738      541639        s-trans-Propenoic acid
  194618.3721  0.0041 -6.1468 3   77.7080 27  72503 30313 310      12 211        s-trans-Propenoic acid
  194662.8240  0.0034 -5.1028 3  119.0465 43  72503 30321 616      20 515        s-trans-Propenoic acid
  194664.1340  0.0025 -4.9398 3   86.0162 25  72503 30312 8 5      11 7 4        s-trans-Propenoic acid
  194664.9137  0.0025 -4.9398 3   86.0162 25  72503 30312 8 4      11 7 5        s-trans-Propenoic acid
  194680.4921  0.0015 -4.2311 3  153.2504 51  72503 30325 916      24 915        s-trans-Propenoic acid
  194708.6047  0.0108 -4.9956 3  374.8506 91  72503 303451629      451530        s-trans-Propenoic acid
  194727.6107  0.1508 -5.5028 3  729.5709135  72503 303672047      671948        s-trans-Propenoic acid
  194735.6745  0.0263 -5.9093 3  501.0377111  72503 303551541      551342        s-trans-Propenoic acid
  194745.9923  0.0062 -4.9268 3  245.8540 67  72503 303331518      331419        s-trans-Propenoic acid
  194747.4348  0.0062 -4.9268 3  245.8539 67  72503 303331519      331420        s-trans-Propenoic acid
  194772.6302  0.0088 -5.6858 3  427.1317103  72503 303511140      511141        s-trans-Propenoic acid
  194794.7235  0.0029 -5.0595 3  159.5144 55  72503 30327 621      26 720        s-trans-Propenoic acid
  194823.6925  0.0031 -5.5820 3  229.3390 75  72503 30337 433      37 434        s-trans-Propenoic acid
  194823.7021  0.0031 -5.1228 3  229.3390 75  72503 30337 433      37 334        s-trans-Propenoic acid
  194823.9480  0.0031 -5.1228 3  229.3390 75  72503 30337 533      37 434        s-trans-Propenoic acid
  194823.9576  0.0031 -5.5820 3  229.3390 75  72503 30337 533      37 334        s-trans-Propenoic acid
  194874.0712  0.0081 -5.4895 3  247.5939 73  72503 303361026      351125        s-trans-Propenoic acid
  194888.7385  0.0030 -5.0216 3  130.5851 47  72503 30323 618      22 517        s-trans-Propenoic acid
  194900.6450  0.0032 -5.1425 3  108.4571 39  72503 30319 614      18 513        s-trans-Propenoic acid
  194923.5133  0.0838 -6.5320 3  840.2417141  72503 303702645      692742        s-trans-Propenoic acid
  194923.6393  0.0838 -6.5320 3  840.2417141  72503 303702644      692743        s-trans-Propenoic acid
  194946.2355  0.0033 -5.1283 3  113.6223 41  72503 30320 615      19 514        s-trans-Propenoic acid
  194977.8168  0.0014 -4.2092 3  149.5770 51  72503 30325 818      24 817        s-trans-Propenoic acid
  195047.7607  0.0086 -5.0886 3  427.1225103  72503 303511140      511041        s-trans-Propenoic acid
  195128.8565  0.0040 -6.5265 3   77.6910 27  72503 30313 310      12 111        s-trans-Propenoic acid
  195198.7806  0.0324 -5.2545 3  560.8594119  72503 303591445      591346        s-trans-Propenoic acid
  195256.2918  0.0102 -5.1175 3  460.4562107  72503 303531341      531242        s-trans-Propenoic acid
  195269.3200  0.0226 -5.8975 3  515.7404113  72503 303561542      561343        s-trans-Propenoic acid
  195283.4321  0.0015 -4.1824 3  138.6633 49  72503 30324 618      23 617        s-trans-Propenoic acid
  195319.3004  0.0027 -6.0789 3   84.1998 29  72503 30314 5 9      13 310        s-trans-Propenoic acid
  195322.3820  0.0023 -5.0078 3   89.4342 29  72503 30314 7 8      13 6 7        s-trans-Propenoic acid
  195376.3682  0.0106 -4.9928 3  374.8255 91  72503 303451630      451531        s-trans-Propenoic acid
  195520.9534  0.0064 -4.9280 3  237.3840 65  72503 303321517      321418        s-trans-Propenoic acid
  195521.5596  0.0064 -4.9280 3  237.3839 65  72503 303321518      321419        s-trans-Propenoic acid
  195535.5822  0.0023 -5.0071 3   89.4279 29  72503 30314 7 7      13 6 8        s-trans-Propenoic acid
  195613.6710  0.0712 -5.4197 3  672.0761131  72503 303651649      651550        s-trans-Propenoic acid
  195666.8669  0.0329 -5.2960 3  606.0187123  72503 303611745      611646        s-trans-Propenoic acid
  195718.6390  0.0134 -5.8097 3  494.9380111  72503 303551442      551243        s-trans-Propenoic acid
  195762.9950  0.0040 -6.2839 3  143.2037 49  72503 30324 816      24 619        s-trans-Propenoic acid
  195982.1762  0.0486 -5.3312 3  615.1241125  72503 303621547      621448        s-trans-Propenoic acid
  196021.1518  0.0145 -5.7575 3  418.0465 99  72503 303491535      481632        s-trans-Propenoic acid
  196058.2990  0.0099 -5.7386 3  460.4295107  72503 303531341      531142        s-trans-Propenoic acid
  196129.3743  0.2957 -5.9947 3 1018.3592163  72503 303812160      812061        s-trans-Propenoic acid
  196148.0087  0.0042 -5.7644 3  191.9648 69  72503 30334 232      34 233        s-trans-Propenoic acid
  196148.0088  0.0042 -5.3377 3  191.9648 69  72503 30334 232      34 133        s-trans-Propenoic acid
  196148.0112  0.0042 -5.7644 3  191.9648 69  72503 30334 332      34 133        s-trans-Propenoic acid
  196148.0112  0.0042 -5.3377 3  191.9648 69  72503 30334 332      34 233        s-trans-Propenoic acid
  196154.5192  0.0016 -4.0838 3  157.6903 63  72503 30331 031      30 030        s-trans-Propenoic acid
  196154.5192  0.0016 -4.4769 3  157.6903 63  72503 30331 031      30 130        s-trans-Propenoic acid
  196154.5192  0.0016 -4.4769 3  157.6903 63  72503 30331 131      30 030        s-trans-Propenoic acid
  196154.5192  0.0016 -4.0838 3  157.6903 63  72503 30331 131      30 130        s-trans-Propenoic acid
  196158.7215  0.0015 -4.5298 3  157.1733 61  72503 30330 129      29 228        s-trans-Propenoic acid
  196158.7225  0.0015 -4.1027 3  157.1733 61  72503 30330 229      29 228        s-trans-Propenoic acid
  196158.7237  0.0015 -4.1027 3  157.1733 61  72503 30330 129      29 128        s-trans-Propenoic acid
  196158.7247  0.0015 -4.5298 3  157.1733 61  72503 30330 229      29 128        s-trans-Propenoic acid
  196172.1996  0.0079 -5.7203 3  369.0946 93  72503 303461334      451431        s-trans-Propenoic acid
  196181.9651  0.0954 -6.6186 3  888.5586145  72503 303722746      712843        s-trans-Propenoic acid
  196182.0097  0.0954 -6.6186 3  888.5586145  72503 303722745      712844        s-trans-Propenoic acid
  196186.2647  0.0026 -4.9716 3  136.6596 49  72503 30324 619      23 518        s-trans-Propenoic acid
  196192.5524  0.0015 -4.5902 3  156.1297 59  72503 30329 227      28 326        s-trans-Propenoic acid
  196192.6553  0.0015 -4.1209 3  156.1297 59  72503 30329 327      28 326        s-trans-Propenoic acid
  196192.7668  0.0015 -4.1209 3  156.1297 59  72503 30329 227      28 226        s-trans-Propenoic acid
  196192.8697  0.0015 -4.5902 3  156.1297 59  72503 30329 327      28 226        s-trans-Propenoic acid
  196218.8740  0.0065 -4.9312 3  229.1819 63  72503 303311516      311417        s-trans-Propenoic acid
  196219.1197  0.0065 -4.9312 3  229.1819 63  72503 303311517      311418        s-trans-Propenoic acid
  196298.8396  0.0014 -4.6622 3  154.5344 57  72503 30328 325      27 424        s-trans-Propenoic acid
  196304.5458  0.0014 -4.1379 3  154.5344 57  72503 30328 425      27 424        s-trans-Propenoic acid
  196310.0584  0.0014 -4.1379 3  154.5340 57  72503 30328 325      27 324        s-trans-Propenoic acid
  196315.7647  0.0014 -4.6622 3  154.5340 57  72503 30328 425      27 324        s-trans-Propenoic acid
  196373.3518  0.0015 -4.7551 3  152.3471 55  72503 30327 423      26 522        s-trans-Propenoic acid
  196403.8080  0.4899 -6.5924 3 1354.4597189  72503 303942569      942470        s-trans-Propenoic acid
  196424.3950  0.0067 -5.5416 3  284.4275 53  72503 3032625 1      2525 0        s-trans-Propenoic acid
  196424.3950  0.0067 -5.5416 3  284.4275 53  72503 3032625 2      2525 1        s-trans-Propenoic acid
  196508.1181  0.0061 -5.2253 3  273.1070 53  72503 3032624 2      2524 1        s-trans-Propenoic acid
  196508.1181  0.0061 -5.2253 3  273.1070 53  72503 3032624 3      2524 2        s-trans-Propenoic acid
  196554.6325  0.0015 -4.1688 3  149.5432 53  72503 30326 621      25 620        s-trans-Propenoic acid
  196557.9163  0.0015 -4.1533 3  152.3471 55  72503 30327 523      26 522        s-trans-Propenoic acid
  196600.6753  0.0056 -5.0349 3  262.2503 53  72503 3032623 3      2523 2        s-trans-Propenoic acid
  196600.6753  0.0056 -5.0349 3  262.2503 53  72503 3032623 4      2523 3        s-trans-Propenoic acid
  196614.7025  0.0195 -5.9903 3  419.9152101  72503 303501338      491435        s-trans-Propenoic acid
  196673.1637  0.0029 -5.5446 3  253.7072 79  72503 30339 534      39 535        s-trans-Propenoic acid
  196673.2265  0.0029 -5.0689 3  253.7072 79  72503 30339 534      39 435        s-trans-Propenoic acid
  196674.4844  0.0029 -5.0689 3  253.7072 79  72503 30339 634      39 535        s-trans-Propenoic acid
  196674.5472  0.0029 -5.5446 3  253.7072 79  72503 30339 634      39 435        s-trans-Propenoic acid
  196703.8363  0.0050 -4.8968 3  251.8580 53  72503 3032622 4      2522 3        s-trans-Propenoic acid
  196703.8363  0.0050 -4.8968 3  251.8580 53  72503 3032622 5      2522 4        s-trans-Propenoic acid
  196704.0007  0.0249 -5.1171 3  484.8592107  72503 303531737      531638        s-trans-Propenoic acid
  196709.9617  0.0015 -4.1526 3  152.3359 55  72503 30327 423      26 422        s-trans-Propenoic acid
  196819.8131  0.0045 -4.7879 3  241.9305 53  72503 3032621 5      2521 4        s-trans-Propenoic acid
  196819.8131  0.0045 -4.7879 3  241.9305 53  72503 3032621 6      2521 5        s-trans-Propenoic acid
  196833.9409  0.0312 -5.9216 3  486.4894109  72503 303541540      541341        s-trans-Propenoic acid
  196846.6738  0.0067 -4.9364 3  221.2466 61  72503 303301515      301416        s-trans-Propenoic acid
  196846.7697  0.0067 -4.9364 3  221.2466 61  72503 303301516      301417        s-trans-Propenoic acid
  196854.0847  0.0031 -6.5953 3   73.9754 23  72503 30311 5 7      10 3 8        s-trans-Propenoic acid
  196876.5576  0.0099 -4.9776 3  363.1096 89  72503 303441628      441529        s-trans-Propenoic acid
  196894.5262  0.0015 -4.7527 3  152.3359 55  72503 30327 523      26 422        s-trans-Propenoic acid
  196951.4019  0.0040 -4.6978 3  232.4685 53  72503 3032620 6      2520 5        s-trans-Propenoic acid
  196951.4019  0.0040 -4.6978 3  232.4685 53  72503 3032620 7      2520 6        s-trans-Propenoic acid
  196966.9032  0.0183 -5.8044 3  450.6994103  72503 303511636      501733        s-trans-Propenoic acid
  196985.7331  0.0074 -5.0804 3  427.1317103  72503 303511240      511141        s-trans-Propenoic acid
  197102.1827  0.0036 -4.6210 3  223.4728 53  72503 3032619 7      2519 6        s-trans-Propenoic acid
  197102.1827  0.0036 -4.6210 3  223.4728 53  72503 3032619 8      2519 7        s-trans-Propenoic acid
  197241.8189  0.0097 -4.9760 3  363.0960 89  72503 303441629      441530        s-trans-Propenoic acid
  197260.8635  0.0072 -5.6756 3  427.1225103  72503 303511240      511041        s-trans-Propenoic acid
  197276.8060  0.0032 -4.5542 3  214.9442 53  72503 3032618 8      2518 7        s-trans-Propenoic acid
  197276.8060  0.0032 -4.5542 3  214.9442 53  72503 3032618 9      2518 8        s-trans-Propenoic acid
  197410.5022  0.0069 -4.9439 3  213.5769 59  72503 303291514      291415        s-trans-Propenoic acid
  197410.5381  0.0069 -4.9439 3  213.5769 59  72503 303291515      291416        s-trans-Propenoic acid
  197451.2128  0.0224 -5.8592 3  484.8343107  72503 303531737      521834        s-trans-Propenoic acid
  197481.4143  0.0028 -4.4954 3  206.8842 53  72503 3032617 9      2517 8        s-trans-Propenoic acid
  197481.4143  0.0028 -4.4954 3  206.8842 53  72503 303261710      2517 9        s-trans-Propenoic acid
  197539.2258  0.0056 -5.6262 3  395.0484 99  72503 303491039      491040        s-trans-Propenoic acid
  197616.0963  0.0496 -5.2109 3  550.0840115  72503 303571839      571740        s-trans-Propenoic acid
  197626.4614  0.0056 -5.0540 3  395.0455 99  72503 303491039      49 940        s-trans-Propenoic acid
  197724.2815  0.0024 -4.4430 3  199.2942 53  72503 303261610      2516 9        s-trans-Propenoic acid
  197724.2815  0.0024 -4.4430 3  199.2942 53  72503 303261611      251610        s-trans-Propenoic acid
  197775.1895  0.0891 -5.3419 3  636.2297125  72503 303621943      621844        s-trans-Propenoic acid
  197775.2706  0.4219 -5.9659 3 1008.1946161  72503 303802357      802258        s-trans-Propenoic acid
  197836.7583  0.0269 -5.9191 3  520.4463111  72503 303551838      541935        s-trans-Propenoic acid
  197915.8848  0.0071 -4.9537 3  206.1718 57  72503 303281513      281414        s-trans-Propenoic acid
  197915.8976  0.0071 -4.9537 3  206.1718 57  72503 303281514      281415        s-trans-Propenoic acid
  197924.7710  0.0205 -5.8863 3  530.6058115  72503 303571543      571344        s-trans-Propenoic acid
  198016.8162  0.0021 -4.3959 3  192.1766 53  72503 303261511      251510        s-trans-Propenoic acid
  198016.8162  0.0021 -4.3959 3  192.1766 53  72503 303261512      251511        s-trans-Propenoic acid
  198069.9361  0.0027 -5.5300 3  279.3907 83  72503 30341 635      41 636        s-trans-Propenoic acid
  198070.2792  0.0027 -5.0371 3  279.3907 83  72503 30341 635      41 536        s-trans-Propenoic acid
  198075.8400  0.0027 -5.0371 3  279.3907 83  72503 30341 735      41 636        s-trans-Propenoic acid
  198076.1831  0.0027 -5.5299 3  279.3907 83  72503 30341 735      41 536        s-trans-Propenoic acid
  198148.5704  0.0252 -5.2605 3  583.3948121  72503 303601645      601546        s-trans-Propenoic acid
  198175.6591  0.0044 -5.1797 3  177.1601 59  72503 30329 722      28 821        s-trans-Propenoic acid
  198285.1787  0.0320 -5.9829 3  557.5322115  72503 303571939      562036        s-trans-Propenoic acid
  198344.8498  0.0017 -4.1941 3  149.7336 51  72503 30325 817      24 816        s-trans-Propenoic acid
  198346.2099  0.0052 -5.0509 3  395.0484 99  72503 303491139      491040        s-trans-Propenoic acid
  198367.8289  0.0073 -4.9661 3  199.0303 55  72503 303271512      271413        s-trans-Propenoic acid
  198367.8333  0.0073 -4.9661 3  199.0303 55  72503 303271513      271414        s-trans-Propenoic acid
  198375.2082  0.0019 -4.3535 3  185.5343 53  72503 303261413      251412        s-trans-Propenoic acid
  198375.2093  0.0019 -4.3535 3  185.5343 53  72503 303261412      251411        s-trans-Propenoic acid
  198431.3715  0.0278 -5.9164 3  520.4452111  72503 303551837      541936        s-trans-Propenoic acid
  198433.4455  0.0051 -5.6225 3  395.0455 99  72503 303491139      49 940        s-trans-Propenoic acid
  198526.3651  0.0324 -5.9818 3  557.5318115  72503 303571938      562037        s-trans-Propenoic acid
  198562.7547  0.0023 -4.9200 3  142.9199 51  72503 30325 620      24 519        s-trans-Propenoic acid
  198610.0644  0.0228 -5.0785 3  457.3719103  72503 303511734      511635        s-trans-Propenoic acid
  198636.3249  0.0015 -4.1584 3  149.3619 53  72503 30326 521      25 520        s-trans-Propenoic acid
  198642.3209  0.7892 -6.5482 3 1335.2559187  72503 303932667      932568        s-trans-Propenoic acid
  198770.9026  0.0075 -4.9815 3  192.1514 53  72503 303261511      261412        s-trans-Propenoic acid
  198770.9040  0.0075 -4.9815 3  192.1514 53  72503 303261512      261413        s-trans-Propenoic acid
  198775.2297  0.0091 -4.9616 3  351.6559 87  72503 303431627      431528        s-trans-Propenoic acid
  198787.2445  0.0194 -5.2097 3  545.7564117  72503 303581544      581445        s-trans-Propenoic acid
  198819.7740  0.0046 -6.3298 3  134.4677 45  72503 30322 914      22 715        s-trans-Propenoic acid
  198823.2825  0.0017 -4.3149 3  179.3719 53  72503 303261314      251313        s-trans-Propenoic acid
  198823.3091  0.0017 -4.3149 3  179.3719 53  72503 303261313      251312        s-trans-Propenoic acid
  198830.6295  0.0037 -5.6395 3  214.2935 73  72503 30336 333      36 334        s-trans-Propenoic acid
  198830.6300  0.0037 -5.1978 3  214.2935 73  72503 30336 333      36 234        s-trans-Propenoic acid
  198830.6494  0.0037 -5.1978 3  214.2935 73  72503 30336 433      36 334        s-trans-Propenoic acid
  198830.6499  0.0037 -5.6395 3  214.2935 73  72503 30336 433      36 234        s-trans-Propenoic acid
  198852.9229  0.0377 -6.0500 3  596.0899119  72503 303592040      582137        s-trans-Propenoic acid
  198875.8639  0.0240 -5.8526 3  484.8314107  72503 303531736      521835        s-trans-Propenoic acid
  198882.9886  0.0039 -5.5816 3  364.2197 95  72503 30347 938      47 939        s-trans-Propenoic acid
  198886.7490  0.0137 -5.7424 3  474.1364109  72503 303541242      541243        s-trans-Propenoic acid
  198908.4177  0.0039 -5.0316 3  364.2188 95  72503 30347 938      47 839        s-trans-Propenoic acid
  198948.4341  0.0379 -6.0496 3  596.0898119  72503 303592039      582138        s-trans-Propenoic acid
  198962.6954  0.0229 -5.0918 3  470.9220105  72503 303521736      521637        s-trans-Propenoic acid
  198963.4228  0.0028 -5.5328 3  306.3784 87  72503 30343 736      43 737        s-trans-Propenoic acid
  198965.0408  0.0028 -5.0221 3  306.3784 87  72503 30343 736      43 637        s-trans-Propenoic acid
  198970.0557  0.0090 -4.9608 3  351.6487 87  72503 303431628      431529        s-trans-Propenoic acid
  198986.8043  0.0028 -5.0220 3  306.3784 87  72503 30343 836      43 737        s-trans-Propenoic acid
  198988.4223  0.0028 -5.5327 3  306.3784 87  72503 30343 836      43 637        s-trans-Propenoic acid
  199101.0515  0.1768 -6.3598 3  813.1339145  72503 303721854      721855        s-trans-Propenoic acid
  199129.2956  0.0077 -5.0002 3  185.5343 51  72503 303251510      251411        s-trans-Propenoic acid
  199129.2961  0.0077 -5.0002 3  185.5343 51  72503 303251511      251412        s-trans-Propenoic acid
  199153.8468  0.0038 -5.0306 3  364.2197 95  72503 303471038      47 939        s-trans-Propenoic acid
  199179.2760  0.0038 -5.5804 3  364.2188 95  72503 303471038      47 839        s-trans-Propenoic acid
  199251.1289  0.0901 -6.4396 3  576.7484121  72503 303601546      591643        s-trans-Propenoic acid
  199275.5424  0.4958 -6.4347 3 1271.9595183  72503 303912467      912368        s-trans-Propenoic acid
  199277.3888  0.0031 -5.5505 3  334.6588 91  72503 30345 837      45 838        s-trans-Propenoic acid
  199284.1471  0.0031 -5.0208 3  334.6585 91  72503 30345 837      45 738        s-trans-Propenoic acid
  199338.9738  0.0052 -5.5937 3  177.9421 67  72503 30333 132      33 033        s-trans-Propenoic acid
  199338.9738  0.0052 -6.0050 3  177.9421 67  72503 30333 132      33 133        s-trans-Propenoic acid
  199338.9739  0.0052 -6.0050 3  177.9421 67  72503 30333 232      33 033        s-trans-Propenoic acid
  199338.9739  0.0052 -5.5937 3  177.9421 67  72503 30333 232      33 133        s-trans-Propenoic acid
  199340.1148  0.0022 -5.1275 3   94.4213 33  72503 30316 610      15 511        s-trans-Propenoic acid
  199360.1912  0.0132 -5.1282 3  474.1206109  72503 303541242      541143        s-trans-Propenoic acid
  199360.7799  0.0030 -5.0205 3  334.6588 91  72503 30345 937      45 838        s-trans-Propenoic acid
  199367.5382  0.0030 -5.5501 3  334.6585 91  72503 30345 937      45 738        s-trans-Propenoic acid
  199370.7405  0.0337 -5.3102 3  622.2561125  72503 303621746      621647        s-trans-Propenoic acid
  199397.6633  0.0015 -4.2797 3  173.6956 53  72503 303261215      251214        s-trans-Propenoic acid
  199398.2177  0.0015 -4.2797 3  173.6956 53  72503 303261214      251213        s-trans-Propenoic acid
  199446.8680  0.0079 -5.0228 3  179.1782 49  72503 3032415 9      241410        s-trans-Propenoic acid
  199446.8681  0.0079 -5.0228 3  179.1782 49  72503 303241510      241411        s-trans-Propenoic acid
  199456.0381  0.0032 -6.6160 3   74.9068 25  72503 30312 4 9      11 210        s-trans-Propenoic acid
  199548.3079  0.0441 -6.1202 3  636.1176123  72503 303612141      602238        s-trans-Propenoic acid
  199585.3610  0.0442 -6.1200 3  636.1175123  72503 303612140      602239        s-trans-Propenoic acid
  199727.1891  0.0081 -5.0499 3  173.0822 47  72503 3032315 8      2314 9        s-trans-Propenoic acid
  199727.1891  0.0081 -5.0499 3  173.0822 47  72503 3032315 9      231410        s-trans-Propenoic acid
  199817.5559  0.0039 -6.6361 3   72.8296 25  72503 30312 210      11 111        s-trans-Propenoic acid
  199826.4094  0.0067 -6.1377 3  178.1346 57  72503 303281019      28 820        s-trans-Propenoic acid
  199973.5702  0.0083 -5.0825 3  167.2456 45  72503 3032215 7      2214 8        s-trans-Propenoic acid
  199973.5702  0.0083 -5.0825 3  167.2456 45  72503 3032215 8      2214 9        s-trans-Propenoic acid
  200094.0215  0.2412 -5.8592 3  947.2296157  72503 303782058      781959        s-trans-Propenoic acid
  200119.3409  0.2142 -5.6184 3  810.5733143  72503 303712150      712051        s-trans-Propenoic acid
  200146.7029  0.0465 -5.2874 3  612.5454123  72503 303611844      611745        s-trans-Propenoic acid
  200155.8277  0.0014 -4.2473 3  168.5155 53  72503 303261116      251115        s-trans-Propenoic acid
  200164.8475  0.0014 -4.2473 3  168.5157 53  72503 303261115      251114        s-trans-Propenoic acid
  200189.0908  0.0085 -5.1220 3  161.6677 43  72503 3032115 6      2114 7        s-trans-Propenoic acid
  200189.0908  0.0085 -5.1220 3  161.6677 43  72503 3032115 7      2114 8        s-trans-Propenoic acid
  200221.8428  0.0471 -5.3125 3  628.9064125  72503 303621845      621746        s-trans-Propenoic acid
  200262.5215  0.0213 -5.7890 3  450.6919103  72503 303511635      501734        s-trans-Propenoic acid
  200361.0411  0.0514 -6.1934 3  677.6137127  72503 303632242      622339        s-trans-Propenoic acid
  200375.1606  0.0514 -6.1933 3  677.6137127  72503 303632241      622340        s-trans-Propenoic acid
  200376.6210  0.0088 -5.1704 3  156.3478 41  72503 3032015 5      2014 6        s-trans-Propenoic acid
  200376.6211  0.0088 -5.1704 3  156.3478 41  72503 3032015 6      2014 7        s-trans-Propenoic acid
  200393.5085  0.0031 -6.2734 3   74.8755 25  72503 30312 4 9      11 110        s-trans-Propenoic acid
  200427.1242  0.0257 -5.9201 3  399.2969 97  72503 303481435      481236        s-trans-Propenoic acid
  200447.1592  0.0148 -5.1605 3  509.3356113  72503 303561443      561344        s-trans-Propenoic acid
  200458.4305  0.0086 -4.9476 3  340.4859 85  72503 303421626      421527        s-trans-Propenoic acid
  200458.5089  0.0143 -5.6266 3  345.6078 89  72503 303441331      431430        s-trans-Propenoic acid
  200538.8397  0.0090 -5.2310 3  151.2853 39  72503 3031915 4      1914 5        s-trans-Propenoic acid
  200538.8397  0.0090 -5.2310 3  151.2853 39  72503 3031915 5      1914 6        s-trans-Propenoic acid
  200559.7670  0.0085 -4.9472 3  340.4822 85  72503 303421627      421528        s-trans-Propenoic acid
  200678.2495  0.0092 -5.3090 3  146.4795 37  72503 3031815 3      1814 4        s-trans-Propenoic acid
  200678.2495  0.0092 -5.3090 3  146.4795 37  72503 3031815 4      1814 5        s-trans-Propenoic acid
  200797.1899  0.0094 -5.4148 3  141.9300 35  72503 3031715 2      1714 3        s-trans-Propenoic acid
  200797.1899  0.0094 -5.4148 3  141.9300 35  72503 3031715 3      1714 4        s-trans-Propenoic acid
  200852.8624  0.0082 -5.7451 3  381.2861 95  72503 303471335      461432        s-trans-Propenoic acid
  200861.9693  0.0454 -5.2608 3  596.4402121  72503 303601843      601744        s-trans-Propenoic acid
  200897.8471  0.0096 -5.5712 3  137.6361 33  72503 3031615 1      1614 2        s-trans-Propenoic acid
  200897.8471  0.0096 -5.5712 3  137.6361 33  72503 3031615 2      1614 3        s-trans-Propenoic acid
  200929.6825  0.0015 -4.8461 3  156.0996 55  72503 30327 522      26 621        s-trans-Propenoic acid
  200982.2632  0.0099 -5.8519 3  133.5975 31  72503 3031515 0      1514 1        s-trans-Propenoic acid
  200982.2632  0.0099 -5.8519 3  133.5975 31  72503 3031515 1      1514 2        s-trans-Propenoic acid
  201035.4307  0.0027 -4.8587 3   86.6845 23  72503 30311 9 3      10 8 2        s-trans-Propenoic acid
  201035.4329  0.0027 -4.8587 3   86.6845 23  72503 30311 9 2      10 8 3        s-trans-Propenoic acid
  201050.8963  0.0056 -6.5064 3  133.9240 47  72503 30323 716      23 519        s-trans-Propenoic acid
  201140.6572  0.0032 -5.5703 3  237.9595 77  72503 30338 434      38 435        s-trans-Propenoic acid
  201140.6618  0.0032 -5.1132 3  237.9595 77  72503 30338 434      38 335        s-trans-Propenoic acid
  201140.7843  0.0032 -5.1132 3  237.9595 77  72503 30338 534      38 435        s-trans-Propenoic acid
  201140.7889  0.0032 -5.5703 3  237.9595 77  72503 30338 534      38 335        s-trans-Propenoic acid
  201168.8520  0.0014 -4.2171 3  163.8471 53  72503 303261017      251016        s-trans-Propenoic acid
  201188.2768  0.0014 -4.1604 3  152.8035 53  72503 30326 720      25 719        s-trans-Propenoic acid
  201206.3067  0.0472 -5.3355 3  645.5142127  72503 303631846      631747        s-trans-Propenoic acid
  201262.1060  0.0208 -5.0674 3  457.2695103  72503 303511735      511636        s-trans-Propenoic acid
  201275.7067  0.0594 -6.2695 3  720.5769131  72503 303652343      642440        s-trans-Propenoic acid
  201279.9960  0.0014 -4.2166 3  163.8503 53  72503 303261016      251015        s-trans-Propenoic acid
  201281.0029  0.0595 -6.2695 3  720.5769131  72503 303652342      642441        s-trans-Propenoic acid
  201355.1522  0.0167 -5.9317 3  333.4378 87  72503 303431331      431132        s-trans-Propenoic acid
  201599.8050  0.0134 -5.8770 3  406.6871 99  72503 303491337      481434        s-trans-Propenoic acid
  201655.9697  0.0445 -6.1891 3  494.7400111  72503 303551442      541539        s-trans-Propenoic acid
  201764.4679  0.0144 -5.7978 3  509.2916113  72503 303561443      561244        s-trans-Propenoic acid
  201872.2125  0.5489 -6.1220 3 1104.1322169  72503 303842460      842361        s-trans-Propenoic acid
  201964.0259  0.0082 -4.9353 3  329.5966 83  72503 303411625      411526        s-trans-Propenoic acid
  201964.8930  0.0362 -5.9344 3  472.0911107  72503 303531539      531340        s-trans-Propenoic acid
  201966.0140  0.0200 -5.0506 3  443.9626101  72503 303501733      501634        s-trans-Propenoic acid
  201988.7171  0.0020 -4.8694 3  149.3619 53  72503 30326 621      25 520        s-trans-Propenoic acid
  202015.4142  0.0082 -4.9351 3  329.5947 83  72503 303411626      411527        s-trans-Propenoic acid
  202155.5699  0.0025 -4.9133 3   89.0659 27  72503 30313 8 6      12 7 5        s-trans-Propenoic acid
  202158.5160  0.0025 -4.9133 3   89.0658 27  72503 30313 8 5      12 7 6        s-trans-Propenoic acid
  202160.0141  0.0213 -5.8116 3  523.8625115  72503 303571344      571345        s-trans-Propenoic acid
  202167.0651  0.0015 -4.1488 3  145.1773 51  72503 30325 619      24 618        s-trans-Propenoic acid
  202191.5184  0.0201 -5.8758 3  545.6429117  72503 303581544      581345        s-trans-Propenoic acid
  202220.5580  0.0437 -5.2329 3  580.5993119  72503 303591842      591743        s-trans-Propenoic acid
  202277.1452  0.0685 -6.3487 3  765.0058135  72503 303672444      662541        s-trans-Propenoic acid
  202279.1042  0.0685 -6.3487 3  765.0058135  72503 303672443      662542        s-trans-Propenoic acid
  202360.2946  0.0014 -4.1894 3  159.7082 53  72503 30326 918      25 917        s-trans-Propenoic acid
  202378.5904  0.0017 -4.0567 3  164.2333 65  72503 30332 032      31 031        s-trans-Propenoic acid
  202378.5904  0.0017 -4.4492 3  164.2333 65  72503 30332 032      31 131        s-trans-Propenoic acid
  202378.5904  0.0017 -4.4492 3  164.2333 65  72503 30332 132      31 031        s-trans-Propenoic acid
  202378.5904  0.0017 -4.0567 3  164.2333 65  72503 30332 132      31 131        s-trans-Propenoic acid
  202382.0779  0.0015 -4.5002 3  163.7164 63  72503 30331 130      30 229        s-trans-Propenoic acid
  202382.0784  0.0015 -4.0749 3  163.7164 63  72503 30331 230      30 229        s-trans-Propenoic acid
  202382.0789  0.0015 -4.0749 3  163.7164 63  72503 30331 130      30 129        s-trans-Propenoic acid
  202382.0794  0.0015 -4.5002 3  163.7164 63  72503 30331 230      30 129        s-trans-Propenoic acid
  202388.7234  0.0044 -5.3264 3  199.5459 71  72503 30335 233      35 134        s-trans-Propenoic acid
  202388.7234  0.0044 -5.7521 3  199.5459 71  72503 30335 233      35 234        s-trans-Propenoic acid
  202388.7245  0.0044 -5.7521 3  199.5459 71  72503 30335 333      35 134        s-trans-Propenoic acid
  202388.7245  0.0044 -5.3264 3  199.5459 71  72503 30335 333      35 234        s-trans-Propenoic acid
  202394.1200  0.0109 -5.1157 3  474.1364109  72503 303541342      541243        s-trans-Propenoic acid
  202412.5903  0.0014 -4.5582 3  162.6740 61  72503 30330 228      29 327        s-trans-Propenoic acid
  202412.6395  0.0014 -4.0924 3  162.6740 61  72503 30330 328      29 327        s-trans-Propenoic acid
  202412.6933  0.0014 -4.0924 3  162.6740 61  72503 30330 228      29 227        s-trans-Propenoic acid
  202412.7425  0.0014 -4.5582 3  162.6740 61  72503 30330 328      29 227        s-trans-Propenoic acid
  202418.1269  0.0023 -4.9872 3   93.0347 31  72503 30315 7 9      14 6 8        s-trans-Propenoic acid
  202510.8594  0.0014 -4.6264 3  161.0824 59  72503 30329 326      28 425        s-trans-Propenoic acid
  202513.7378  0.0014 -4.1089 3  161.0824 59  72503 30329 426      28 425        s-trans-Propenoic acid
  202516.5657  0.0014 -4.1089 3  161.0822 59  72503 30329 326      28 325        s-trans-Propenoic acid
  202519.4441  0.0014 -4.6264 3  161.0822 59  72503 30329 426      28 325        s-trans-Propenoic acid
  202563.2067  0.0401 -6.5763 3  514.2563113  72503 303561442      551639        s-trans-Propenoic acid
  202657.0867  0.0014 -4.7124 3  158.9036 57  72503 30328 424      27 523        s-trans-Propenoic acid
  202730.2386  0.0032 -5.4060 3   92.2169 33  72503 30316 511      15 412        s-trans-Propenoic acid
  202756.9004  0.0014 -4.1237 3  158.9036 57  72503 30328 524      27 523        s-trans-Propenoic acid
  202780.6896  0.0086 -5.6699 3  440.1692105  72503 303521141      521142        s-trans-Propenoic acid
  202841.6512  0.0015 -4.1233 3  158.8975 57  72503 30328 424      27 423        s-trans-Propenoic acid
  202865.1400  0.0097 -5.7959 3  393.8129 97  72503 303481336      471433        s-trans-Propenoic acid
  202867.5622  0.0106 -5.7265 3  474.1206109  72503 303541342      541143        s-trans-Propenoic acid
  202871.6836  0.0113 -5.7094 3  399.2154 97  72503 303481435      471532        s-trans-Propenoic acid
  202890.6033  0.0054 -6.1250 3  133.8626 47  72503 30323 716      23 419        s-trans-Propenoic acid
  202920.2436  0.0014 -4.1679 3  156.0808 53  72503 30326 819      25 818        s-trans-Propenoic acid
  202923.8228  0.0045 -6.0607 3  136.6596 47  72503 30323 815      23 518        s-trans-Propenoic acid
  202927.5009  0.0111 -5.9696 3  274.5808 77  72503 303381227      381028        s-trans-Propenoic acid
  202933.5398  0.0026 -5.9661 3   87.9240 31  72503 30315 510      14 311        s-trans-Propenoic acid
  202936.3853  0.0023 -4.9856 3   93.0197 31  72503 30315 7 8      14 6 9        s-trans-Propenoic acid
  202938.6790  0.0085 -5.0823 3  440.1640105  72503 303521141      521042        s-trans-Propenoic acid
  202939.7308  0.0015 -4.1376 3  156.0996 55  72503 30327 622      26 621        s-trans-Propenoic acid
  202941.4649  0.0015 -4.7111 3  158.8975 57  72503 30328 524      27 423        s-trans-Propenoic acid
  202950.5732  0.0202 -5.1799 3  523.8361115  72503 303571344      571245        s-trans-Propenoic acid
  203027.9070  0.1186 -6.2218 3  749.8762139  72503 303691752      691753        s-trans-Propenoic acid
  203052.6276  0.0030 -5.5336 3  262.9527 81  72503 30340 535      40 536        s-trans-Propenoic acid
  203052.6586  0.0030 -5.0606 3  262.9527 81  72503 30340 535      40 436        s-trans-Propenoic acid
  203053.3028  0.0030 -5.0606 3  262.9527 81  72503 30340 635      40 536        s-trans-Propenoic acid
  203053.3338  0.0030 -5.5336 3  262.9527 81  72503 30340 635      40 436        s-trans-Propenoic acid
  203053.9239  0.0084 -6.0357 3  222.7948 67  72503 303331123      33 924        s-trans-Propenoic acid
  203070.1075  0.0102 -5.5089 3  281.3497 79  72503 303391128      381227        s-trans-Propenoic acid
  203144.2321  0.0423 -5.1695 3  534.9448113  72503 303561838      561739        s-trans-Propenoic acid
  203177.1159  0.0472 -5.3564 3  662.3595129  72503 303641847      641748        s-trans-Propenoic acid
  203240.3619  0.4595 -6.2795 3 1192.0595177  72503 303882365      882266        s-trans-Propenoic acid
  203308.8637  0.0196 -5.7228 3  418.0278 99  72503 303491534      481633        s-trans-Propenoic acid
  203319.1880  0.0080 -4.9248 3  318.9855 81  72503 303401624      401525        s-trans-Propenoic acid
  203333.4473  0.0015 -4.1853 3  159.7443 53  72503 30326 917      25 916        s-trans-Propenoic acid
  203344.5833  0.0080 -4.9246 3  318.9846 81  72503 303401625      401526        s-trans-Propenoic acid
  203352.1794  0.0785 -6.4310 3  810.8993139  72503 303692545      682642        s-trans-Propenoic acid
  203352.8949  0.0785 -6.4310 3  810.8993139  72503 303692544      682643        s-trans-Propenoic acid
  203524.2766  0.0189 -5.0442 3  443.9031101  72503 303501734      501635        s-trans-Propenoic acid
  203593.0758  0.1861 -5.7312 3  878.7375151  72503 303751956      751857        s-trans-Propenoic acid
  203611.9147  0.0017 -4.1515 3  147.1121 51  72503 30325 718      24 717        s-trans-Propenoic acid
  203957.6564  0.0073 -5.5471 3  302.7612 55  72503 3032726 1      2626 0        s-trans-Propenoic acid
  203957.6564  0.0073 -5.5471 3  302.7612 55  72503 3032726 2      2626 1        s-trans-Propenoic acid
  203993.5036  0.0351 -5.3225 3  638.7097127  72503 303631747      631648        s-trans-Propenoic acid
  204041.9845  0.0067 -5.2294 3  290.9796 55  72503 3032725 2      2625 1        s-trans-Propenoic acid
  204041.9845  0.0067 -5.2294 3  290.9796 55  72503 3032725 3      2625 2        s-trans-Propenoic acid
  204052.5484  0.0270 -5.2676 3  599.2122123  72503 303611646      611547        s-trans-Propenoic acid
  204053.0465  0.0047 -6.2958 3  149.5432 51  72503 30325 817      25 620        s-trans-Propenoic acid
  204063.3478  0.0414 -5.2044 3  565.0301117  72503 303581841      581742        s-trans-Propenoic acid
  204122.3419  0.0077 -5.0775 3  440.1692105  72503 303521241      521142        s-trans-Propenoic acid
  204134.6587  0.0061 -5.0378 3  279.6618 55  72503 3032724 3      2624 2        s-trans-Propenoic acid
  204134.6587  0.0061 -5.0378 3  279.6618 55  72503 3032724 4      2624 3        s-trans-Propenoic acid
  204237.2852  0.0055 -4.8984 3  268.8082 55  72503 3032723 4      2623 3        s-trans-Propenoic acid
  204237.2852  0.0055 -4.8984 3  268.8082 55  72503 3032723 5      2623 4        s-trans-Propenoic acid
  204270.9514  0.0042 -5.9893 3  142.9199 49  72503 30324 816      24 519        s-trans-Propenoic acid
  204274.5105  0.1315 -5.4396 3  711.5055133  72503 303662046      661947        s-trans-Propenoic acid
  204280.3313  0.0076 -5.6640 3  440.1640105  72503 303521241      521042        s-trans-Propenoic acid
  204282.0748  0.0015 -4.1312 3  155.9877 55  72503 30327 522      26 521        s-trans-Propenoic acid
  204329.1112  0.0041 -6.3728 3  128.6246 43  72503 30321 913      21 714        s-trans-Propenoic acid
  204351.8528  0.0050 -4.7882 3  258.4193 55  72503 3032722 5      2622 4        s-trans-Propenoic acid
  204351.8528  0.0050 -4.7882 3  258.4193 55  72503 3032722 6      2622 5        s-trans-Propenoic acid
  204422.8045  0.0330 -5.8938 3  576.3044121  72503 303601446      601447        s-trans-Propenoic acid
  204480.8490  0.0045 -4.6967 3  248.4957 55  72503 3032721 6      2621 5        s-trans-Propenoic acid
  204480.8490  0.0045 -4.6967 3  248.4957 55  72503 3032721 7      2621 6        s-trans-Propenoic acid
  204489.8735  0.0895 -6.5163 3  858.2562143  72503 303712646      702743        s-trans-Propenoic acid
  204490.1319  0.0895 -6.5163 3  858.2562143  72503 303712645      702744        s-trans-Propenoic acid
  204534.0605  0.0028 -5.5194 3  289.2624 85  72503 30342 636      42 637        s-trans-Propenoic acid
  204534.2338  0.0028 -5.0300 3  289.2624 85  72503 30342 636      42 537        s-trans-Propenoic acid
  204537.1621  0.0028 -5.0300 3  289.2624 85  72503 30342 736      42 637        s-trans-Propenoic acid
  204537.3354  0.0028 -5.5194 3  289.2624 85  72503 30342 736      42 537        s-trans-Propenoic acid
  204544.0059  0.0079 -4.9158 3  308.6505 79  72503 303391623      391524        s-trans-Propenoic acid
  204556.2284  0.0079 -4.9158 3  308.6501 79  72503 303391624      391525        s-trans-Propenoic acid
  204627.4218  0.0040 -4.6186 3  239.0381 55  72503 3032720 7      2620 6        s-trans-Propenoic acid
  204627.4218  0.0040 -4.6186 3  239.0381 55  72503 3032720 8      2620 7        s-trans-Propenoic acid
  204795.6067  0.0036 -4.5505 3  230.0474 55  72503 3032719 8      2619 7        s-trans-Propenoic acid
  204795.6067  0.0036 -4.5505 3  230.0474 55  72503 3032719 9      2619 8        s-trans-Propenoic acid
  204803.8220  0.0177 -5.0259 3  430.8565 99  72503 303491732      491633        s-trans-Propenoic acid
  204886.4520  0.0056 -5.6136 3  407.4467101  72503 303501040      501041        s-trans-Propenoic acid
  204935.2435  0.0056 -5.0490 3  407.4451101  72503 303501040      50 941        s-trans-Propenoic acid
  204990.6551  0.0032 -4.4904 3  221.5247 55  72503 3032718 9      2618 8        s-trans-Propenoic acid
  204990.6551  0.0032 -4.4904 3  221.5247 55  72503 303271810      2618 9        s-trans-Propenoic acid
  204996.7944  0.0050 -6.1667 3  130.5851 45  72503 30322 814      22 517        s-trans-Propenoic acid
  205026.9790  0.0065 -6.4065 3  119.5787 43  72503 30321 615      21 318        s-trans-Propenoic acid
  205084.1628  0.0781 -6.0984 3  689.3160133  72503 303661650      661651        s-trans-Propenoic acid
  205098.5305  0.0038 -5.6283 3  222.4976 75  72503 30337 334      37 335        s-trans-Propenoic acid
  205098.5308  0.0038 -5.1881 3  222.4976 75  72503 30337 334      37 235        s-trans-Propenoic acid
  205098.5401  0.0038 -5.1881 3  222.4976 75  72503 30337 434      37 335        s-trans-Propenoic acid
  205098.5403  0.0038 -5.6283 3  222.4976 75  72503 30337 434      37 235        s-trans-Propenoic acid
  205165.0236  0.2967 -5.7471 3  896.1860151  72503 303752253      752154        s-trans-Propenoic acid
  205219.5189  0.0028 -4.4366 3  213.4714 55  72503 303271710      2617 9        s-trans-Propenoic acid
  205219.5189  0.0028 -4.4366 3  213.4714 55  72503 303271711      261710        s-trans-Propenoic acid
  205221.2593  0.0761 -5.2896 3  619.6417123  72503 303611942      611843        s-trans-Propenoic acid
  205360.4434  0.0053 -5.0473 3  407.4467101  72503 303501140      501041        s-trans-Propenoic acid
  205373.7873  0.0390 -5.9658 3  567.3705119  72503 303591644      591445        s-trans-Propenoic acid
  205409.2349  0.0053 -5.6115 3  407.4451101  72503 303501140      50 941        s-trans-Propenoic acid
  205472.7278  0.0509 -5.9892 3  631.4572127  72503 303631548      631549        s-trans-Propenoic acid
  205491.5911  0.0024 -4.3883 3  205.8896 55  72503 303271611      261610        s-trans-Propenoic acid
  205491.5911  0.0024 -4.3883 3  205.8896 55  72503 303271612      261611        s-trans-Propenoic acid
  205513.8192  0.0210 -5.2129 3  560.9297119  72503 303591545      591446        s-trans-Propenoic acid
  205541.7870  0.0028 -5.5226 3  316.8780 89  72503 30344 737      44 738        s-trans-Propenoic acid
  205542.6255  0.0028 -5.0160 3  316.8780 89  72503 30344 737      44 638        s-trans-Propenoic acid
  205554.4077  0.0028 -5.0160 3  316.8780 89  72503 30344 837      44 738        s-trans-Propenoic acid
  205555.2462  0.0028 -5.5225 3  316.8780 89  72503 30344 837      44 638        s-trans-Propenoic acid
  205563.9306  0.0054 -5.5820 3  185.1080 69  72503 30334 133      34 034        s-trans-Propenoic acid
  205563.9306  0.0054 -5.9929 3  185.1080 69  72503 30334 133      34 134        s-trans-Propenoic acid
  205563.9307  0.0054 -5.9929 3  185.1080 69  72503 30334 233      34 034        s-trans-Propenoic acid
  205563.9307  0.0054 -5.5820 3  185.1080 69  72503 30334 233      34 134        s-trans-Propenoic acid
  205597.7965  0.0071 -5.3500 3  225.2213 69  72503 30334 925      331024        s-trans-Propenoic acid
  205653.8745  0.0078 -4.9085 3  298.5899 77  72503 303381622      381523        s-trans-Propenoic acid
  205659.5989  0.0078 -4.9084 3  298.5897 77  72503 303381623      381524        s-trans-Propenoic acid
  205681.2931  0.1017 -6.6046 3  907.0752147  72503 303732747      722844        s-trans-Propenoic acid
  205681.3854  0.1017 -6.6046 3  907.0752147  72503 303732746      722845        s-trans-Propenoic acid
  205696.5449  0.0171 -5.0222 3  430.8227 99  72503 303491733      491634        s-trans-Propenoic acid
  205707.9014  0.0305 -5.2433 3  576.2616121  72503 303601446      601347        s-trans-Propenoic acid
  205755.8027  0.3354 -6.6242 3  968.3973159  72503 303792059      792060        s-trans-Propenoic acid
  205806.6729  0.7002 -6.2898 3 1204.6661177  72503 303882563      882464        s-trans-Propenoic acid
  205819.8783  0.0021 -4.3445 3  198.7817 55  72503 303271513      261512        s-trans-Propenoic acid
  205819.8784  0.0021 -4.3445 3  198.7817 55  72503 303271512      261511        s-trans-Propenoic acid
  205853.4500  0.0039 -5.5706 3  375.9821 97  72503 30348 939      48 940        s-trans-Propenoic acid
  205867.3128  0.0039 -5.0268 3  375.9817 97  72503 30348 939      48 840        s-trans-Propenoic acid
  206007.9550  0.0038 -5.0263 3  375.9821 97  72503 303481039      48 940        s-trans-Propenoic acid
  206014.1537  0.0031 -5.5401 3  345.7885 93  72503 30346 838      46 839        s-trans-Propenoic acid
  206017.7459  0.0031 -5.0156 3  345.7884 93  72503 30346 838      46 739        s-trans-Propenoic acid
  206021.8179  0.0038 -5.5699 3  375.9817 97  72503 303481039      48 840        s-trans-Propenoic acid
  206060.4111  0.0030 -5.0154 3  345.7885 93  72503 30346 938      46 839        s-trans-Propenoic acid
  206064.0033  0.0030 -5.5399 3  345.7884 93  72503 30346 938      46 739        s-trans-Propenoic acid
  206069.9623  0.0023 -4.9564 3  166.4585 57  72503 30328 622      27 721        s-trans-Propenoic acid
  206160.5917  0.0475 -5.3751 3  679.4336131  72503 303651848      651749        s-trans-Propenoic acid
  206162.7167  0.0156 -5.7335 3  430.8565101  72503 303501536      491633        s-trans-Propenoic acid
  206222.9490  0.0019 -4.3047 3  192.1514 55  72503 303271414      261413        s-trans-Propenoic acid
  206222.9521  0.0019 -4.3047 3  192.1514 55  72503 303271413      261412        s-trans-Propenoic acid
  206234.8107  0.0387 -5.1758 3  549.7388115  72503 303571840      571741        s-trans-Propenoic acid
  206248.4534  0.1371 -5.6120 3  812.8955145  72503 303721854      721755        s-trans-Propenoic acid
  206288.1928  0.0336 -5.9579 3  583.1232121  72503 303601645      601446        s-trans-Propenoic acid
  206292.1231  0.0017 -4.8210 3  155.9877 55  72503 30327 622      26 521        s-trans-Propenoic acid
  206661.0370  0.0079 -4.9027 3  288.8020 75  72503 303371621      371522        s-trans-Propenoic acid
  206663.6433  0.0079 -4.9027 3  288.8019 75  72503 303371622      371523        s-trans-Propenoic acid
  206728.3533  0.0016 -4.2684 3  186.0039 55  72503 303271315      261314        s-trans-Propenoic acid
  206728.4256  0.0016 -4.2684 3  186.0039 55  72503 303271314      261313        s-trans-Propenoic acid
  206809.3722  0.0031 -6.4850 3   76.7208 25  72503 30312 5 8      11 3 9        s-trans-Propenoic acid
  207065.0634  0.0462 -5.9741 3  551.7709117  72503 303581643      581444        s-trans-Propenoic acid
  207248.0533  0.0159 -5.0037 3  418.0465 97  72503 303481731      481632        s-trans-Propenoic acid
  207275.8024  0.0042 -5.7655 3   86.3082 31  72503 30315 411      14 312        s-trans-Propenoic acid
  207351.7236  0.0032 -4.7823 3   88.0869 21  72503 3031010 0       9 9 1        s-trans-Propenoic acid
  207351.7236  0.0032 -4.7823 3   88.0869 21  72503 3031010 1       9 9 0        s-trans-Propenoic acid
  207378.7540  0.0015 -4.2349 3  180.3468 55  72503 303271216      261215        s-trans-Propenoic acid
  207380.1124  0.0015 -4.2349 3  180.3468 55  72503 303271215      261214        s-trans-Propenoic acid
  207383.4876  0.0038 -6.2207 3  146.3329 49  72503 30324 915      24 718        s-trans-Propenoic acid
  207441.9955  0.0132 -5.7259 3  488.0185111  72503 303551243      551244        s-trans-Propenoic acid
  207449.6611  0.0034 -5.5600 3  246.7874 79  72503 30339 435      39 436        s-trans-Propenoic acid
  207449.6633  0.0034 -5.1048 3  246.7874 79  72503 30339 435      39 336        s-trans-Propenoic acid
  207449.7239  0.0034 -5.1048 3  246.7874 79  72503 30339 535      39 436        s-trans-Propenoic acid
  207449.7261  0.0034 -5.5600 3  246.7874 79  72503 30339 535      39 336        s-trans-Propenoic acid
  207511.4016  0.0456 -5.3183 3  631.3892127  72503 303631548      631449        s-trans-Propenoic acid
  207570.9511  0.0158 -5.1613 3  523.8625115  72503 303571444      571345        s-trans-Propenoic acid
  207575.5680  0.0080 -4.8986 3  279.2854 73  72503 303361620      361521        s-trans-Propenoic acid
  207576.7203  0.0080 -4.8986 3  279.2853 73  72503 303361621      361522        s-trans-Propenoic acid
  207610.8380  0.0201 -5.7769 3  463.9969105  72503 303521637      511734        s-trans-Propenoic acid
  207620.5462  0.0209 -5.8663 3  560.8594119  72503 303591545      591346        s-trans-Propenoic acid
  207666.9235  0.3959 -6.1285 3 1114.7692171  72503 303852263      852164        s-trans-Propenoic acid
  207682.4839  0.0366 -5.1332 3  520.1366111  72503 303551837      551738        s-trans-Propenoic acid
  207718.3229  0.0129 -5.1227 3  488.0093111  72503 303551243      551144        s-trans-Propenoic acid
  207722.7784  0.0037 -6.2590 3  140.1097 47  72503 30323 914      23 717        s-trans-Propenoic acid
  207747.2389  0.0156 -5.0017 3  418.0278 97  72503 303481732      481633        s-trans-Propenoic acid
  207830.2521  0.0973 -5.5031 3  749.7160139  72503 303691752      691653        s-trans-Propenoic acid
  207962.9786  0.0018 -4.1457 3  156.3497 53  72503 30326 818      25 817        s-trans-Propenoic acid
  208064.3590  0.0014 -4.7898 3  162.8689 57  72503 30328 523      27 622        s-trans-Propenoic acid
  208079.1639  0.0039 -6.1902 3  152.8035 51  72503 30325 916      25 719        s-trans-Propenoic acid
  208176.8335  0.0014 -4.1270 3  159.5144 55  72503 30327 721      26 720        s-trans-Propenoic acid
  208212.5335  0.0248 -5.8312 3  498.6244109  72503 303541738      531835        s-trans-Propenoic acid
  208239.5488  0.0014 -4.2039 3  175.1920 55  72503 303271117      261116        s-trans-Propenoic acid
  208246.3496  0.0673 -5.4050 3  689.2105133  72503 303661650      661551        s-trans-Propenoic acid
  208259.4626  0.0014 -4.2038 3  175.1925 55  72503 303271116      261115        s-trans-Propenoic acid
  208361.5102  0.0155 -5.7876 3  523.8361115  72503 303571444      571245        s-trans-Propenoic acid
  208379.8156  0.0015 -4.1208 3  151.9209 53  72503 30326 620      25 619        s-trans-Propenoic acid
  208405.9991  0.0081 -4.8962 3  270.0386 71  72503 303351619      351520        s-trans-Propenoic acid
  208406.4930  0.0081 -4.8962 3  270.0386 71  72503 303351620      351521        s-trans-Propenoic acid
  208527.2936  0.0298 -5.8920 3  534.7321113  72503 303561839      551936        s-trans-Propenoic acid
  208539.3761  0.0038 -6.4244 3  123.0938 41  72503 30320 912      20 713        s-trans-Propenoic acid
  208576.7959  0.0027 -4.8332 3   89.4683 25  72503 30312 9 4      11 8 3        s-trans-Propenoic acid
  208576.8097  0.0027 -4.8332 3   89.4683 25  72503 30312 9 3      11 8 4        s-trans-Propenoic acid
  208595.6029  0.0358 -5.1475 3  534.7298113  72503 303561839      561740        s-trans-Propenoic acid
  208602.3832  0.0017 -4.0312 3  170.9839 67  72503 30333 033      32 032        s-trans-Propenoic acid
  208602.3832  0.0017 -4.4233 3  170.9839 67  72503 30333 033      32 132        s-trans-Propenoic acid
  208602.3832  0.0017 -4.4233 3  170.9839 67  72503 30333 133      32 032        s-trans-Propenoic acid
  208602.3832  0.0017 -4.0312 3  170.9839 67  72503 30333 133      32 132        s-trans-Propenoic acid
  208605.2299  0.0015 -4.4725 3  170.4672 65  72503 30332 131      31 230        s-trans-Propenoic acid
  208605.2301  0.0015 -4.0489 3  170.4672 65  72503 30332 231      31 230        s-trans-Propenoic acid
  208605.2304  0.0015 -4.0489 3  170.4672 65  72503 30332 131      31 130        s-trans-Propenoic acid
  208605.2306  0.0015 -4.4725 3  170.4672 65  72503 30332 231      31 130        s-trans-Propenoic acid
  208627.4343  0.0046 -5.3164 3  207.3344 73  72503 30336 234      36 135        s-trans-Propenoic acid
  208627.4343  0.0046 -5.7412 3  207.3344 73  72503 30336 234      36 235        s-trans-Propenoic acid
  208627.4348  0.0046 -5.7412 3  207.3344 73  72503 30336 334      36 135        s-trans-Propenoic acid
  208627.4348  0.0046 -5.3164 3  207.3344 73  72503 30336 334      36 235        s-trans-Propenoic acid
  208632.7863  0.0014 -4.5281 3  169.4257 63  72503 30331 229      30 328        s-trans-Propenoic acid
  208632.8097  0.0014 -4.0658 3  169.4257 63  72503 30331 329      30 328        s-trans-Propenoic acid
  208632.8355  0.0014 -4.0658 3  169.4257 63  72503 30331 229      30 228        s-trans-Propenoic acid
  208632.8589  0.0014 -4.5281 3  169.4257 63  72503 30331 329      30 228        s-trans-Propenoic acid
  208722.7769  0.0014 -4.5930 3  167.8375 61  72503 30330 327      29 426        s-trans-Propenoic acid
  208724.2178  0.0014 -4.0816 3  167.8375 61  72503 30330 427      29 426        s-trans-Propenoic acid
  208725.6553  0.0014 -4.0816 3  167.8374 61  72503 30330 327      29 326        s-trans-Propenoic acid
  208727.0962  0.0014 -4.5930 3  167.8374 61  72503 30330 427      29 326        s-trans-Propenoic acid
  208748.0186  0.0036 -6.3044 3  134.1406 45  72503 30322 913      22 716        s-trans-Propenoic acid
  208817.1041  0.0326 -6.6108 3  544.8055117  72503 303581444      571641        s-trans-Propenoic acid
  208830.1138  0.0353 -5.9572 3  572.3156117  72503 303581940      572037        s-trans-Propenoic acid
  208896.1027  0.0294 -6.5634 3  529.3501115  72503 303571443      561640        s-trans-Propenoic acid
  208897.9371  0.0014 -4.6733 3  165.6669 59  72503 30329 425      28 524        s-trans-Propenoic acid
  208951.2594  0.0014 -4.0960 3  165.6669 59  72503 30329 525      28 524        s-trans-Propenoic acid
  208997.7508  0.0014 -4.0958 3  165.6635 59  72503 30329 425      28 424        s-trans-Propenoic acid
  209051.0731  0.0014 -4.6726 3  165.6635 59  72503 30329 525      28 424        s-trans-Propenoic acid
  209083.0760  0.0187 -5.6494 3  386.8387 95  72503 303471433      461532        s-trans-Propenoic acid
  209159.7205  0.0083 -4.8955 3  261.0606 69  72503 303341618      341519        s-trans-Propenoic acid
  209159.9255  0.0083 -4.8955 3  261.0606 69  72503 303341619      341520        s-trans-Propenoic acid
  209219.8057  0.0023 -4.9712 3   96.9110 33  72503 30316 710      15 6 9        s-trans-Propenoic acid
  209234.5169  0.0413 -6.0260 3  611.3721121  72503 303602041      592138        s-trans-Propenoic acid
  209241.5031  0.0015 -4.1088 3  162.8689 57  72503 30328 623      27 622        s-trans-Propenoic acid
  209269.7480  0.0360 -5.9553 3  572.3148117  72503 303581939      572038        s-trans-Propenoic acid
  209273.0176  0.0308 -5.9504 3  599.0381123  72503 303611646      611447        s-trans-Propenoic acid
  209371.3936  0.0014 -4.1748 3  170.5574 55  72503 303271018      261017        s-trans-Propenoic acid
  209387.9867  0.0144 -4.9837 3  405.5273 95  72503 303471730      471631        s-trans-Propenoic acid
  209411.9623  0.0417 -6.0253 3  611.3718121  72503 303602040      592139        s-trans-Propenoic acid
  209418.9807  0.0031 -5.5241 3  272.4052 83  72503 30341 536      41 537        s-trans-Propenoic acid
  209418.9958  0.0031 -5.0537 3  272.4052 83  72503 30341 536      41 437        s-trans-Propenoic acid
  209419.3238  0.0031 -5.0537 3  272.4052 83  72503 30341 636      41 537        s-trans-Propenoic acid
  209419.3389  0.0031 -5.5241 3  272.4052 83  72503 30341 636      41 437        s-trans-Propenoic acid
  209432.0164  0.0371 -5.3334 3  655.3736129  72503 303641748      641649        s-trans-Propenoic acid
  209487.1311  0.0045 -5.9560 3  149.3619 51  72503 30325 817      25 520        s-trans-Propenoic acid
  209494.1032  0.0024 -5.1297 3   98.5350 35  72503 30317 611      16 512        s-trans-Propenoic acid
  209545.9863  0.0039 -6.1438 3   86.2325 31  72503 30315 411      14 212        s-trans-Propenoic acid
  209588.0944  0.0314 -5.8874 3  534.7299113  72503 303561838      551937        s-trans-Propenoic acid
  209591.0947  0.0014 -4.1739 3  170.5643 55  72503 303271017      261016        s-trans-Propenoic acid
  209607.8285  0.0115 -5.1152 3  488.0185111  72503 303551343      551244        s-trans-Propenoic acid
  209609.8308  0.0024 -4.8889 3   92.3767 29  72503 30314 8 7      13 7 6        s-trans-Propenoic acid
  209611.4862  0.0061 -6.1592 3  170.5493 55  72503 303271018      27 819        s-trans-Propenoic acid
  209619.3780  0.8766 -6.4689 3 1309.7908185  72503 303922666      922567        s-trans-Propenoic acid
  209619.5609  0.0024 -4.8888 3   92.3764 29  72503 30314 8 6      13 7 7        s-trans-Propenoic acid
  209660.5899  0.0142 -4.9826 3  405.5171 95  72503 303471731      471632        s-trans-Propenoic acid
  209693.6512  0.0667 -5.3711 3  686.3104131  72503 303651947      651848        s-trans-Propenoic acid
  209773.5443  0.0481 -6.0980 3  651.8995125  72503 303622142      612239        s-trans-Propenoic acid
  209843.2448  0.0085 -4.8965 3  252.3500 67  72503 303331617      331518        s-trans-Propenoic acid
  209843.3271  0.0085 -4.8965 3  252.3500 67  72503 303331618      331519        s-trans-Propenoic acid
  209843.5736  0.0483 -6.0977 3  651.8994125  72503 303622141      612240        s-trans-Propenoic acid
  209848.2960  0.0055 -6.2996 3  124.7079 43  72503 30321 813      21 516        s-trans-Propenoic acid
  209884.1559  0.0113 -5.7165 3  488.0093111  72503 303551343      551144        s-trans-Propenoic acid
  209887.9438  0.4020 -5.8885 3  986.4053159  72503 303792356      792257        s-trans-Propenoic acid
  209903.5533  0.6683 -6.6002 3 1380.0074191  72503 303952570      952471        s-trans-Propenoic acid
  209949.7419  0.0669 -5.3984 3  703.7376133  72503 303661948      661849        s-trans-Propenoic acid
  210074.4073  0.0015 -4.1050 3  162.8019 57  72503 30328 523      27 522        s-trans-Propenoic acid
  210130.0646  0.0485 -5.3917 3  696.7285133  72503 303661849      661750        s-trans-Propenoic acid
  210174.9963  0.0035 -6.3562 3  128.4313 43  72503 30321 912      21 715        s-trans-Propenoic acid
  210224.3343  0.0040 -6.1695 3  159.5144 53  72503 30326 917      26 720        s-trans-Propenoic acid
  210279.9958  0.0657 -5.3420 3  669.1368129  72503 303641946      641847        s-trans-Propenoic acid
  210286.1947  0.0403 -5.9474 3  457.8460105  72503 303521538      521339        s-trans-Propenoic acid
  210383.4410  0.0023 -4.9677 3   96.8779 33  72503 30316 7 9      15 610        s-trans-Propenoic acid
  210389.4366  0.1891 -5.5511 3  791.3932141  72503 303702149      702050        s-trans-Propenoic acid
  210445.3788  0.0558 -6.1730 3  693.8959129  72503 303642243      632340        s-trans-Propenoic acid
  210450.3744  0.0085 -5.6580 3  453.4096107  72503 303531142      531143        s-trans-Propenoic acid
  210462.3861  0.0086 -4.8995 3  243.9058 65  72503 303321616      321517        s-trans-Propenoic acid
  210462.4179  0.0086 -4.8995 3  243.9058 65  72503 303321617      321518        s-trans-Propenoic acid
  210472.4839  0.0558 -6.1729 3  693.8959129  72503 303642242      632341        s-trans-Propenoic acid
  210492.1106  0.1370 -6.5310 3  648.3523129  72503 303641649      631746        s-trans-Propenoic acid
  210524.6164  0.0291 -5.2740 3  615.2338125  72503 303621647      621548        s-trans-Propenoic acid
  210540.2042  0.0085 -5.0789 3  453.4066107  72503 303531142      531043        s-trans-Propenoic acid
  210567.5601  0.0014 -4.1486 3  166.4582 55  72503 30327 919      26 918        s-trans-Propenoic acid
  210676.2348  0.0113 -5.7075 3  411.8538 99  72503 303491436      481533        s-trans-Propenoic acid
  210691.6693  0.0278 -5.8203 3  498.6188109  72503 303541737      531836        s-trans-Propenoic acid
  210710.3045  0.0014 -4.1302 3  162.8494 55  72503 30327 820      26 819        s-trans-Propenoic acid
  210868.1697  0.0135 -5.5329 3  317.8590 85  72503 303421230      411329        s-trans-Propenoic acid
  210977.4487  0.0029 -5.5105 3  299.3409 87  72503 30343 637      43 638        s-trans-Propenoic acid
  210977.5358  0.0029 -5.0243 3  299.3409 87  72503 30343 637      43 538        s-trans-Propenoic acid
  210979.0668  0.0029 -5.0243 3  299.3409 87  72503 30343 737      43 638        s-trans-Propenoic acid
  210979.1538  0.0029 -5.5105 3  299.3409 87  72503 30343 737      43 538        s-trans-Propenoic acid
  211022.3853  0.0089 -4.9045 3  235.7270 63  72503 303311615      311516        s-trans-Propenoic acid
  211022.3971  0.0089 -4.9045 3  235.7270 63  72503 303311616      311517        s-trans-Propenoic acid
  211030.5591  0.0329 -5.1199 3  520.0062111  72503 303551838      551739        s-trans-Propenoic acid
  211157.5513  0.0665 -5.4237 3  721.4093135  72503 303671949      671850        s-trans-Propenoic acid
  211235.9055  0.0643 -6.2510 3  737.3598133  72503 303662344      652441        s-trans-Propenoic acid
  211246.2193  0.0643 -6.2509 3  737.3598133  72503 303662343      652442        s-trans-Propenoic acid
  211251.5514  0.0016 -4.7755 3  162.8019 57  72503 30328 623      27 522        s-trans-Propenoic acid
  211252.3816  0.0080 -5.0761 3  453.4096107  72503 303531242      531143        s-trans-Propenoic acid
  211286.4822  0.0132 -4.9656 3  393.2947 93  72503 303461729      461630        s-trans-Propenoic acid
  211342.2114  0.0079 -5.6546 3  453.4066107  72503 303531242      531043        s-trans-Propenoic acid
  211362.3761  0.0039 -5.6184 3  230.9093 77  72503 30338 335      38 336        s-trans-Propenoic acid
  211362.3762  0.0039 -5.1796 3  230.9093 77  72503 30338 335      38 236        s-trans-Propenoic acid
  211362.3807  0.0039 -5.1796 3  230.9093 77  72503 30338 435      38 336        s-trans-Propenoic acid
  211362.3808  0.0039 -5.6184 3  230.9093 77  72503 30338 435      38 236        s-trans-Propenoic acid
  211377.4678  0.0653 -5.2437 3  603.4059121  72503 303601941      601842        s-trans-Propenoic acid
  211424.5934  0.0202 -5.7938 3  538.5905117  72503 303581345      581346        s-trans-Propenoic acid
  211431.9052  0.0131 -4.9650 3  393.2893 93  72503 303461730      461631        s-trans-Propenoic acid
  211449.3220  0.0320 -5.1012 3  505.6467109  72503 303541836      541737        s-trans-Propenoic acid
  211488.7671  0.0079 -5.5552 3  321.8069 57  72503 3032827 1      2727 0        s-trans-Propenoic acid
  211488.7671  0.0079 -5.5552 3  321.8069 57  72503 3032827 2      2727 1        s-trans-Propenoic acid
  211528.0036  0.0091 -4.9116 3  227.8127 61  72503 303301614      301515        s-trans-Propenoic acid
  211528.0078  0.0091 -4.9116 3  227.8127 61  72503 303301615      301516        s-trans-Propenoic acid
  211566.8957  0.0639 -5.3117 3  652.2257127  72503 303631945      631846        s-trans-Propenoic acid
  211573.7841  0.0073 -5.2363 3  309.5645 57  72503 3032826 2      2726 1        s-trans-Propenoic acid
  211573.7841  0.0073 -5.2363 3  309.5645 57  72503 3032826 3      2726 2        s-trans-Propenoic acid
  211622.7777  0.2323 -6.4643 3  898.9072153  72503 303761957      761958        s-trans-Propenoic acid
  211666.7025  0.0066 -5.0434 3  297.7857 57  72503 3032825 3      2725 2        s-trans-Propenoic acid
  211666.7025  0.0066 -5.0434 3  297.7857 57  72503 3032825 4      2725 3        s-trans-Propenoic acid
  211708.9998  0.0268 -5.9364 3  386.2902 95  72503 303471434      471235        s-trans-Propenoic acid
  211712.0100  0.0036 -6.4855 3  117.8650 39  72503 30319 911      19 712        s-trans-Propenoic acid
  211768.9865  0.0061 -4.9028 3  286.4710 57  72503 3032824 4      2724 3        s-trans-Propenoic acid
  211768.9865  0.0061 -4.9028 3  286.4710 57  72503 3032824 5      2724 4        s-trans-Propenoic acid
  211782.5557  0.0035 -6.4146 3  122.9864 41  72503 30320 911      20 714        s-trans-Propenoic acid
  211788.1085  0.0056 -5.5716 3  192.4814 71  72503 30335 134      35 035        s-trans-Propenoic acid
  211788.1085  0.0056 -5.9821 3  192.4814 71  72503 30335 134      35 135        s-trans-Propenoic acid
  211788.1085  0.0056 -5.9821 3  192.4814 71  72503 30335 234      35 035        s-trans-Propenoic acid
  211788.1085  0.0056 -5.5716 3  192.4814 71  72503 30335 234      35 135        s-trans-Propenoic acid
  211817.2152  0.0540 -5.9827 3  536.3181115  72503 303571642      571443        s-trans-Propenoic acid
  211882.4336  0.0055 -4.7912 3  275.6208 57  72503 3032823 5      2723 4        s-trans-Propenoic acid
  211882.4336  0.0055 -4.7912 3  275.6208 57  72503 3032823 6      2723 5        s-trans-Propenoic acid
  211893.3652  0.0196 -5.1745 3  538.5749117  72503 303581345      581246        s-trans-Propenoic acid
  211969.8795  0.3209 -5.9836 3 1040.1006165  72503 303822161      822062        s-trans-Propenoic acid
  211983.5925  0.0093 -4.9211 3  220.1618 59  72503 303291613      291514        s-trans-Propenoic acid
  211983.5940  0.0093 -4.9211 3  220.1618 59  72503 303291614      291515        s-trans-Propenoic acid
  212009.2703  0.0050 -4.6985 3  265.2357 57  72503 3032822 6      2722 5        s-trans-Propenoic acid
  212009.2703  0.0050 -4.6985 3  265.2357 57  72503 3032822 7      2722 6        s-trans-Propenoic acid
  212060.9519  0.0056 -5.6039 3  420.0489103  72503 303511041      511042        s-trans-Propenoic acid
  212087.4896  0.0029 -5.5140 3  327.5840 91  72503 30345 738      45 739        s-trans-Propenoic acid
  212087.9215  0.0029 -5.0114 3  327.5840 91  72503 30345 738      45 639        s-trans-Propenoic acid
  212088.0036  0.0056 -5.0462 3  420.0480103  72503 303511041      51 942        s-trans-Propenoic acid
  212094.2479  0.0029 -5.0114 3  327.5840 91  72503 30345 838      45 739        s-trans-Propenoic acid
  212094.6798  0.0029 -5.5140 3  327.5840 91  72503 30345 838      45 639        s-trans-Propenoic acid
  212128.5722  0.0738 -6.3320 3  782.2898137  72503 303682445      672542        s-trans-Propenoic acid
  212132.4379  0.0738 -6.3319 3  782.2898137  72503 303682444      672543        s-trans-Propenoic acid
  212152.2845  0.0045 -4.6191 3  255.3165 57  72503 3032821 7      2721 6        s-trans-Propenoic acid
  212152.2845  0.0045 -4.6191 3  255.3165 57  72503 3032821 8      2721 7        s-trans-Propenoic acid
  212199.8774  0.0322 -6.0376 3  480.0471109  72503 303541441      531538        s-trans-Propenoic acid
  212248.3357  0.0016 -4.1417 3  166.5268 55  72503 30327 918      26 917        s-trans-Propenoic acid
  212315.0080  0.0040 -4.5497 3  245.8637 57  72503 3032820 8      2720 7        s-trans-Propenoic acid
  212315.0080  0.0040 -4.5497 3  245.8637 57  72503 3032820 9      2720 8        s-trans-Propenoic acid
  212336.0824  0.0055 -5.0452 3  420.0489103  72503 303511141      511042        s-trans-Propenoic acid
  212363.1340  0.0054 -5.6027 3  420.0480103  72503 303511141      51 942        s-trans-Propenoic acid
  212393.1498  0.0095 -4.9332 3  212.7736 57  72503 303281612      281513        s-trans-Propenoic acid
  212393.1503  0.0095 -4.9332 3  212.7736 57  72503 303281613      281514        s-trans-Propenoic acid
  212398.4456  0.0016 -4.1092 3  153.9039 53  72503 30326 719      25 718        s-trans-Propenoic acid
  212453.5353  0.1132 -5.3828 3  693.8106131  72503 303652045      651946        s-trans-Propenoic acid
  212501.9755  0.0035 -4.4882 3  236.8786 57  72503 3032819 9      2719 8        s-trans-Propenoic acid
  212501.9755  0.0035 -4.4882 3  236.8786 57  72503 303281910      2719 9        s-trans-Propenoic acid
  212530.5475  0.0055 -5.1949 3  204.2643 65  72503 30332 824      31 923        s-trans-Propenoic acid
  212562.4269  0.0225 -5.2164 3  576.3044121  72503 303601546      601447        s-trans-Propenoic acid
  212697.7351  0.0031 -5.5317 3  357.1240 95  72503 30347 839      47 840        s-trans-Propenoic acid
  212699.6312  0.0031 -5.0119 3  357.1239 95  72503 30347 839      47 740        s-trans-Propenoic acid
  212719.0989  0.0031 -4.4332 3  228.3624 57  72503 303281810      2718 9        s-trans-Propenoic acid
  212719.0989  0.0031 -4.4332 3  228.3624 57  72503 303281811      271810        s-trans-Propenoic acid
  212723.1643  0.0031 -5.0118 3  357.1240 95  72503 30347 939      47 840        s-trans-Propenoic acid
  212725.0604  0.0031 -5.5316 3  357.1239 95  72503 30347 939      47 740        s-trans-Propenoic acid
  212731.5125  0.0039 -5.5619 3  387.9495 99  72503 30349 940      49 941        s-trans-Propenoic acid
  212739.0112  0.0039 -5.0238 3  387.9493 99  72503 30349 940      49 841        s-trans-Propenoic acid
  212760.3640  0.0097 -4.9482 3  205.6471 55  72503 303271611      271512        s-trans-Propenoic acid
  212760.3641  0.0097 -4.9482 3  205.6471 55  72503 303271612      271513        s-trans-Propenoic acid
  212818.7480  0.0039 -5.0235 3  387.9495 99  72503 303491040      49 941        s-trans-Propenoic acid
  212826.2468  0.0039 -5.5615 3  387.9493 99  72503 303491040      49 841        s-trans-Propenoic acid
  212972.8586  0.0038 -5.0537 3  184.6887 61  72503 30330 723      29 822        s-trans-Propenoic acid
  212974.2252  0.0027 -4.3836 3  220.3168 57  72503 303281711      271710        s-trans-Propenoic acid
  212974.2252  0.0027 -4.3836 3  220.3168 57  72503 303281712      271711        s-trans-Propenoic acid
  212987.7868  0.0122 -4.9492 3  381.3453 91  72503 303451728      451629        s-trans-Propenoic acid
  213063.5694  0.0122 -4.9489 3  381.3426 91  72503 303451729      451630        s-trans-Propenoic acid
  213088.6513  0.0100 -4.9665 3  198.7817 53  72503 303261610      261511        s-trans-Propenoic acid
  213088.6513  0.0100 -4.9665 3  198.7817 53  72503 303261611      261512        s-trans-Propenoic acid
  213108.0878  0.0844 -6.4160 3  828.6846141  72503 303702546      692643        s-trans-Propenoic acid
  213109.5173  0.0844 -6.4160 3  828.6846141  72503 303702545      692644        s-trans-Propenoic acid
  213176.8120  0.0254 -5.7520 3  463.9829105  72503 303521636      511735        s-trans-Propenoic acid
  213277.9937  0.0024 -4.3385 3  212.7440 57  72503 303281612      271611        s-trans-Propenoic acid
  213277.9937  0.0024 -4.3385 3  212.7440 57  72503 303281613      271612        s-trans-Propenoic acid
  213381.1859  0.0102 -4.9887 3  192.1766 51  72503 3032516 9      251510        s-trans-Propenoic acid
  213381.1859  0.0102 -4.9887 3  192.1766 51  72503 303251610      251511        s-trans-Propenoic acid
  213381.1894  0.0662 -5.4469 3  739.3160137  72503 303681950      681851        s-trans-Propenoic acid
  213381.3436  0.0027 -5.8935 3   91.8616 33  72503 30316 511      15 312        s-trans-Propenoic acid
  213395.5923  0.0611 -5.2806 3  635.5851125  72503 303621944      621845        s-trans-Propenoic acid
  213409.2499  0.0035 -6.4802 3  117.8087 39  72503 30319 910      19 713        s-trans-Propenoic acid
  213451.7921  0.0300 -5.0932 3  505.5696109  72503 303541837      541738        s-trans-Propenoic acid
  213640.9255  0.0104 -5.0154 3  185.8310 49  72503 3032416 8      2415 9        s-trans-Propenoic acid
  213640.9255  0.0104 -5.0154 3  185.8310 49  72503 3032416 9      241510        s-trans-Propenoic acid
  213645.2075  0.0021 -4.2975 3  205.6471 57  72503 303281514      271513        s-trans-Propenoic acid
  213645.2079  0.0021 -4.2975 3  205.6471 57  72503 303281513      271512        s-trans-Propenoic acid
  213751.4880  0.0035 -5.5510 3  255.8227 81  72503 30340 436      40 437        s-trans-Propenoic acid
  213751.4891  0.0035 -5.0978 3  255.8227 81  72503 30340 436      40 337        s-trans-Propenoic acid
  213751.5190  0.0035 -5.0978 3  255.8227 81  72503 30340 536      40 437        s-trans-Propenoic acid
  213751.5200  0.0035 -5.5510 3  255.8227 81  72503 30340 536      40 337        s-trans-Propenoic acid
  213812.5697  0.0303 -5.9435 3  615.1241125  72503 303621647      621448        s-trans-Propenoic acid
  213847.5238  0.0222 -5.8582 3  576.2616121  72503 303601546      601347        s-trans-Propenoic acid
  213870.6322  0.0107 -5.0477 3  179.7444 47  72503 3032316 7      2315 8        s-trans-Propenoic acid
  213870.6322  0.0107 -5.0477 3  179.7444 47  72503 3032316 8      2315 9        s-trans-Propenoic acid
  214064.7312  0.0016 -4.0969 3  158.8717 55  72503 30327 621      26 620        s-trans-Propenoic acid
  214072.8907  0.0109 -5.0869 3  173.9160 45  72503 3032216 6      2215 7        s-trans-Propenoic acid
  214072.8907  0.0109 -5.0869 3  173.9160 45  72503 3032216 7      2215 8        s-trans-Propenoic acid
  214097.1432  0.0018 -4.2599 3  199.0303 57  72503 303281415      271414        s-trans-Propenoic acid
  214097.1520  0.0018 -4.2599 3  199.0303 57  72503 303281414      271413        s-trans-Propenoic acid
  214109.5736  0.0036 -6.5564 3  112.9278 37  72503 30318 910      18 711        s-trans-Propenoic acid
  214161.4456  0.0960 -6.5030 3  876.5429145  72503 303722647      712744        s-trans-Propenoic acid
  214161.9678  0.0960 -6.5030 3  876.5429145  72503 303722646      712745        s-trans-Propenoic acid
  214250.1232  0.0111 -5.1350 3  168.3453 43  72503 3032116 5      2115 6        s-trans-Propenoic acid
  214250.1232  0.0111 -5.1350 3  168.3453 43  72503 3032116 6      2115 7        s-trans-Propenoic acid
  214295.8366  0.0044 -6.1607 3  166.4585 55  72503 30327 918      27 721        s-trans-Propenoic acid
  214314.4252  0.5338 -6.0422 3 1081.2270167  72503 303832459      832360        s-trans-Propenoic acid
  214376.7936  0.0165 -5.9491 3  321.7167 85  72503 303421330      421131        s-trans-Propenoic acid
  214404.6024  0.0114 -5.1953 3  163.0316 41  72503 3032016 4      2015 5        s-trans-Propenoic acid
  214404.6024  0.0114 -5.1953 3  163.0316 41  72503 3032016 5      2015 6        s-trans-Propenoic acid
  214493.5804  0.6099 -6.4350 3 1296.5791185  72503 303922468      922369        s-trans-Propenoic acid
  214523.4769  0.0115 -4.9345 3  369.6766 89  72503 303441727      441628        s-trans-Propenoic acid
  214538.4614  0.0116 -5.2732 3  157.9745 39  72503 3031916 3      1915 4        s-trans-Propenoic acid
  214538.4614  0.0116 -5.2732 3  157.9745 39  72503 3031916 4      1915 5        s-trans-Propenoic acid
  214562.0472  0.0115 -4.9344 3  369.6752 89  72503 303441728      441629        s-trans-Propenoic acid
  214598.8282  0.0306 -5.8737 3  591.8798123  72503 303611447      611448        s-trans-Propenoic acid
  214629.0774  0.0284 -5.0724 3  491.4651107  72503 303531835      531736        s-trans-Propenoic acid
  214653.7033  0.0118 -5.3789 3  153.1734 37  72503 3031816 2      1815 3        s-trans-Propenoic acid
  214653.7033  0.0118 -5.3789 3  153.1734 37  72503 3031816 3      1815 4        s-trans-Propenoic acid
  214665.6479  0.0016 -4.2254 3  192.8996 57  72503 303281316      271315        s-trans-Propenoic acid
  214665.8354  0.0016 -4.2254 3  192.8996 57  72503 303281315      271314        s-trans-Propenoic acid
  214752.2085  0.0121 -5.5353 3  148.6279 35  72503 3031716 1      1715 2        s-trans-Propenoic acid
  214752.2085  0.0121 -5.5353 3  148.6279 35  72503 3031716 2      1715 3        s-trans-Propenoic acid
  214795.3866  0.0034 -6.5626 3   77.7080 27  72503 30313 410      12 211        s-trans-Propenoic acid
  214811.1402  0.0014 -4.7410 3  169.8484 59  72503 30329 524      28 623        s-trans-Propenoic acid
  214825.8880  0.0017 -4.0073 3  177.9421 69  72503 30334 034      33 033        s-trans-Propenoic acid
  214825.8880  0.0017 -4.3990 3  177.9421 69  72503 30334 034      33 133        s-trans-Propenoic acid
  214825.8880  0.0017 -4.3990 3  177.9421 69  72503 30334 134      33 033        s-trans-Propenoic acid
  214825.8880  0.0017 -4.0073 3  177.9421 69  72503 30334 134      33 133        s-trans-Propenoic acid
  214828.1581  0.0015 -4.4466 3  177.4255 67  72503 30333 132      32 231        s-trans-Propenoic acid
  214828.1582  0.0015 -4.0244 3  177.4255 67  72503 30333 232      32 231        s-trans-Propenoic acid
  214828.1583  0.0015 -4.0244 3  177.4255 67  72503 30333 132      32 131        s-trans-Propenoic acid
  214828.1584  0.0015 -4.4466 3  177.4255 67  72503 30333 232      32 131        s-trans-Propenoic acid
  214828.8674  0.0168 -5.1631 3  538.5905117  72503 303581445      581346        s-trans-Propenoic acid
  214835.7404  0.0123 -5.8162 3  144.3374 33  72503 3031616 0      1615 1        s-trans-Propenoic acid
  214835.7404  0.0123 -5.8162 3  144.3374 33  72503 3031616 1      1615 2        s-trans-Propenoic acid
  214853.0795  0.0014 -4.5000 3  176.3850 65  72503 30332 230      31 329        s-trans-Propenoic acid
  214853.0906  0.0014 -4.0408 3  176.3850 65  72503 30332 330      31 329        s-trans-Propenoic acid
  214853.1029  0.0014 -4.0408 3  176.3850 65  72503 30332 230      31 229        s-trans-Propenoic acid
  214853.1140  0.0014 -4.5000 3  176.3850 65  72503 30332 330      31 229        s-trans-Propenoic acid
  214864.2894  0.0048 -5.3076 3  215.3305 75  72503 30337 235      37 136        s-trans-Propenoic acid
  214864.2894  0.0048 -5.7315 3  215.3305 75  72503 30337 235      37 236        s-trans-Propenoic acid
  214864.2897  0.0048 -5.7315 3  215.3305 75  72503 30337 335      37 136        s-trans-Propenoic acid
  214864.2897  0.0048 -5.3076 3  215.3305 75  72503 30337 335      37 236        s-trans-Propenoic acid
  214907.0291  0.0031 -4.7593 3   90.6110 23  72503 3031110 2      10 9 1        s-trans-Propenoic acid
  214907.0292  0.0031 -4.7593 3   90.6110 23  72503 3031110 1      10 9 2        s-trans-Propenoic acid
  214935.1695  0.0014 -4.5618 3  174.7998 63  72503 30331 328      30 427        s-trans-Propenoic acid
  214935.8858  0.0014 -4.0561 3  174.7998 63  72503 30331 428      30 427        s-trans-Propenoic acid
  214936.6104  0.0014 -4.0561 3  174.7998 63  72503 30331 328      30 327        s-trans-Propenoic acid
  214937.3268  0.0014 -4.5618 3  174.7998 63  72503 30331 428      30 327        s-trans-Propenoic acid
  214947.3222  0.0035 -6.5537 3  112.9000 37  72503 30318 9 9      18 712        s-trans-Propenoic acid
  214964.0345  0.0014 -4.0968 3  166.4585 57  72503 30328 722      27 721        s-trans-Propenoic acid
  215010.4225  0.0504 -5.4067 3  714.2373135  72503 303671850      671751        s-trans-Propenoic acid
  215030.0243  0.0713 -6.2613 3  560.6123119  72503 303591545      581642        s-trans-Propenoic acid
  215116.5305  0.0014 -4.6371 3  172.6367 61  72503 30330 426      29 525        s-trans-Propenoic acid
  215121.9332  0.0080 -6.0520 3  213.7954 65  72503 303321122      32 923        s-trans-Propenoic acid
  215144.7043  0.0014 -4.0700 3  172.6367 61  72503 30330 526      29 525        s-trans-Propenoic acid
  215169.8529  0.0014 -4.0699 3  172.6349 61  72503 30330 426      29 425        s-trans-Propenoic acid
  215198.0266  0.0014 -4.6368 3  172.6349 61  72503 30330 526      29 425        s-trans-Propenoic acid
  215208.3952  0.0089 -5.3783 3  257.0192 75  72503 303371027      361126        s-trans-Propenoic acid
  215297.6391  0.0166 -5.7792 3  538.5749117  72503 303581445      581246        s-trans-Propenoic acid
  215305.8710  0.0034 -6.2007 3   77.6910 27  72503 30313 410      12 111        s-trans-Propenoic acid
  215372.7668  0.0292 -5.2375 3  591.8540123  72503 303611447      611348        s-trans-Propenoic acid
  215400.2435  0.0015 -4.1934 3  187.2642 57  72503 303281217      271216        s-trans-Propenoic acid
  215403.4317  0.0015 -4.1934 3  187.2643 57  72503 303281216      271215        s-trans-Propenoic acid
  215461.3927  0.0056 -6.3277 3  156.0996 53  72503 30326 818      26 621        s-trans-Propenoic acid
  215470.5941  0.1575 -6.3189 3  832.1065147  72503 303731855      731856        s-trans-Propenoic acid
  215486.9806  0.0014 -4.0820 3  169.8484 59  72503 30329 624      28 623        s-trans-Propenoic acid
  215525.2099  0.0131 -5.7142 3  502.1025113  72503 303561244      561245        s-trans-Propenoic acid
  215549.5069  0.0023 -4.9604 3  101.0706 35  72503 30317 711      16 610        s-trans-Propenoic acid
  215555.6217  0.0396 -5.3433 3  672.2434131  72503 303651749      651650        s-trans-Propenoic acid
  215606.4719  0.0578 -5.2491 3  619.2216123  72503 303611943      611844        s-trans-Propenoic acid
  215668.9172  0.2471 -5.8464 3  968.0666159  72503 303792059      791960        s-trans-Propenoic acid
  215684.8247  0.0129 -5.1204 3  502.0971113  72503 303561244      561145        s-trans-Propenoic acid
  215773.6368  0.0032 -5.5160 3  282.0650 85  72503 30342 537      42 538        s-trans-Propenoic acid
  215773.6442  0.0032 -5.0480 3  282.0650 85  72503 30342 537      42 438        s-trans-Propenoic acid
  215773.8101  0.0032 -5.0480 3  282.0650 85  72503 30342 637      42 538        s-trans-Propenoic acid
  215773.8175  0.0032 -5.5160 3  282.0650 85  72503 30342 637      42 438        s-trans-Propenoic acid
  215775.4513  0.0163 -5.7177 3  443.9626103  72503 303511537      501634        s-trans-Propenoic acid
  215797.6967  0.0273 -5.0678 3  491.4206107  72503 303531836      531737        s-trans-Propenoic acid
  215799.7664  0.0035 -6.4108 3   76.4209 25  72503 30312 5 8      11 2 9        s-trans-Propenoic acid
  215884.0647  0.0019 -4.8725 3  173.6289 59  72503 30329 623      28 722        s-trans-Propenoic acid
  215916.6541  0.0110 -4.9213 3  358.2863 87  72503 303431726      431627        s-trans-Propenoic acid
  215935.8197  0.0110 -4.9212 3  358.2856 87  72503 303431727      431628        s-trans-Propenoic acid
  215945.0091  0.0555 -6.0371 3  638.3110127  72503 303631747      631548        s-trans-Propenoic acid
  215988.2842  0.0015 -4.0798 3  169.8092 59  72503 30329 524      28 523        s-trans-Propenoic acid
  215993.7103  0.0044 -6.1330 3   80.7193 29  72503 30314 311      13 212        s-trans-Propenoic acid
  216104.5619  0.0026 -4.8089 3   92.5095 27  72503 30313 9 5      12 8 4        s-trans-Propenoic acid
  216104.6310  0.0026 -4.8089 3   92.5095 27  72503 30313 9 4      12 8 5        s-trans-Propenoic acid
  216128.8915  0.2654 -5.6760 3  875.8897149  72503 303742252      742153        s-trans-Propenoic acid
  216187.3478  0.0107 -5.9860 3  264.1978 75  72503 303371226      371027        s-trans-Propenoic acid
  216264.3883  0.0044 -6.5136 3   80.7102 29  72503 30314 311      13 112        s-trans-Propenoic acid
  216373.0336  0.0014 -4.1635 3  182.1381 57  72503 303281118      271117        s-trans-Propenoic acid
  216415.2539  0.0014 -4.1634 3  182.1393 57  72503 303281117      271116        s-trans-Propenoic acid
  216443.8613  0.0566 -5.2031 3  587.5082119  72503 303591940      591841        s-trans-Propenoic acid
  216632.4598  0.0665 -5.4679 3  757.4490139  72503 303691951      691852        s-trans-Propenoic acid
  216664.1247  0.0015 -4.7330 3  169.8092 59  72503 30329 624      28 523        s-trans-Propenoic acid
  216700.7548  0.0059 -6.4495 3  119.0465 41  72503 30320 812      20 515        s-trans-Propenoic acid
  216799.2948  0.0111 -5.7226 3  424.8094101  72503 303501437      491534        s-trans-Propenoic acid
  216800.6164  0.0462 -5.9656 3  647.8810129  72503 303641549      641550        s-trans-Propenoic acid
  216842.5187  0.0120 -5.1159 3  502.1025113  72503 303561344      561245        s-trans-Propenoic acid
  217002.1334  0.0119 -5.7086 3  502.0971113  72503 303561344      561145        s-trans-Propenoic acid
  217012.2951  0.0024 -4.8668 3   95.9503 31  72503 30315 8 8      14 7 7        s-trans-Propenoic acid
  217041.0903  0.0024 -4.8667 3   95.9494 31  72503 30315 8 7      14 7 8        s-trans-Propenoic acid
  217184.7761  0.0106 -4.9096 3  347.1725 85  72503 303421725      421626        s-trans-Propenoic acid
  217194.0689  0.0106 -4.9096 3  347.1722 85  72503 303421726      421627        s-trans-Propenoic acid
  217201.1340  0.0659 -6.0416 3  621.6614125  72503 303621746      621547        s-trans-Propenoic acid
  217253.1784  0.0482 -6.0328 3  655.1127129  72503 303641748      641549        s-trans-Propenoic acid
  217362.9608  0.0254 -5.0463 3  477.5839105  72503 303521834      521735        s-trans-Propenoic acid
  217402.6277  0.0030 -5.5031 3  309.6262 89  72503 30344 638      44 639        s-trans-Propenoic acid
  217402.6712  0.0030 -5.0199 3  309.6262 89  72503 30344 638      44 539        s-trans-Propenoic acid
  217403.4662  0.0030 -5.0199 3  309.6262 89  72503 30344 738      44 639        s-trans-Propenoic acid
  217403.5098  0.0030 -5.5031 3  309.6262 89  72503 30344 738      44 539        s-trans-Propenoic acid
  217424.2333  0.0312 -5.2805 3  631.4572127  72503 303631648      631549        s-trans-Propenoic acid
  217467.1088  0.1052 -6.1877 3  767.9991141  72503 303701753      701754        s-trans-Propenoic acid
  217521.4955  0.0067 -6.5647 3  139.8564 49  72503 30324 717      24 520        s-trans-Propenoic acid
  217615.4214  0.0014 -4.1355 3  177.5412 57  72503 303281019      271018        s-trans-Propenoic acid
  217622.5130  0.0041 -5.1723 3  239.5283 79  72503 30339 336      39 237        s-trans-Propenoic acid
  217622.5130  0.0041 -5.6098 3  239.5283 79  72503 30339 336      39 337        s-trans-Propenoic acid
  217622.5152  0.0041 -5.6098 3  239.5283 79  72503 30339 436      39 237        s-trans-Propenoic acid
  217622.5152  0.0041 -5.1723 3  239.5283 79  72503 30339 436      39 337        s-trans-Propenoic acid
  217732.2020  0.0018 -4.1001 3  163.2866 55  72503 30327 819      26 818        s-trans-Propenoic acid
  217791.2621  0.0031 -6.3933 3   79.6949 27  72503 30313 5 9      12 310        s-trans-Propenoic acid
  217831.8018  0.0698 -6.0701 3  706.5891135  72503 303671651      671652        s-trans-Propenoic acid
  217877.8584  0.0086 -5.6493 3  466.8530109  72503 303541143      541144        s-trans-Propenoic acid
  217928.4689  0.0086 -5.0778 3  466.8513109  72503 303541143      541044        s-trans-Propenoic acid
  217972.2946  0.0054 -6.1817 3  163.2866 53  72503 303261017      26 818        s-trans-Propenoic acid
  217980.2918  0.0023 -4.9539 3  101.0025 35  72503 30317 710      16 611        s-trans-Propenoic acid
  218011.5411  0.0059 -5.5624 3  200.0623 73  72503 30336 135      36 036        s-trans-Propenoic acid
  218011.5411  0.0059 -5.9724 3  200.0623 73  72503 30336 135      36 136        s-trans-Propenoic acid
  218011.5411  0.0059 -5.9724 3  200.0623 73  72503 30336 235      36 036        s-trans-Propenoic acid
  218011.5411  0.0059 -5.5624 3  200.0623 73  72503 30336 235      36 136        s-trans-Propenoic acid
  218015.4737  0.0243 -5.6789 3  430.8227101  72503 303501535      491634        s-trans-Propenoic acid
  218029.2635  0.0248 -5.0437 3  477.5587105  72503 303521835      521736        s-trans-Propenoic acid
  218032.2217  0.0014 -4.1339 3  177.5555 57  72503 303281018      271017        s-trans-Propenoic acid
  218047.4497  0.0430 -5.3117 3  647.8394129  72503 303641549      641450        s-trans-Propenoic acid
  218052.7206  0.0540 -5.2179 3  603.1402121  72503 303601942      601843        s-trans-Propenoic acid
  218110.1729  0.0217 -5.7550 3  477.5839107  72503 303531638      521735        s-trans-Propenoic acid
  218312.3461  0.0014 -4.0962 3  169.8780 57  72503 30328 821      27 820        s-trans-Propenoic acid
  218341.5136  0.0104 -4.8994 3  336.3334 83  72503 303411724      411625        s-trans-Propenoic acid
  218345.9073  0.0104 -4.8994 3  336.3332 83  72503 303411725      411626        s-trans-Propenoic acid
  218351.3006  0.0083 -5.0762 3  466.8530109  72503 303541243      541144        s-trans-Propenoic acid
  218401.9111  0.0083 -5.6474 3  466.8513109  72503 303541243      541044        s-trans-Propenoic acid
  218426.1161  0.1825 -5.7184 3  898.6803153  72503 303761957      761858        s-trans-Propenoic acid
  218473.7393  0.6957 -6.2078 3 1180.6465175  72503 303872562      872463        s-trans-Propenoic acid
  218557.1897  0.0179 -5.5615 3  357.1214 91  72503 303451332      441431        s-trans-Propenoic acid
  218587.2170  0.0066 -6.1729 3  139.8208 49  72503 30324 717      24 420        s-trans-Propenoic acid
  218605.2531  0.0029 -5.5072 3  338.4965 93  72503 30346 739      46 740        s-trans-Propenoic acid
  218605.4742  0.0029 -5.0081 3  338.4965 93  72503 30346 739      46 640        s-trans-Propenoic acid
  218608.8453  0.0029 -5.0081 3  338.4965 93  72503 30346 839      46 740        s-trans-Propenoic acid
  218609.0664  0.0029 -5.5071 3  338.4965 93  72503 30346 839      46 640        s-trans-Propenoic acid
  218730.6808  0.0014 -4.1110 3  173.4820 57  72503 30328 920      27 919        s-trans-Propenoic acid
  218799.9133  0.0219 -5.9144 3  465.7062107  72503 303531440      521537        s-trans-Propenoic acid
  218813.7849  0.0053 -5.9591 3  155.9877 53  72503 30326 818      26 521        s-trans-Propenoic acid
  219017.6429  0.0085 -5.5660 3  341.5647 59  72503 3032928 1      2828 0        s-trans-Propenoic acid
  219017.6429  0.0085 -5.5660 3  341.5647 59  72503 3032928 2      2828 1        s-trans-Propenoic acid
  219036.4164  0.0273 -5.8072 3  512.6999111  72503 303551739      541836        s-trans-Propenoic acid
  219103.4280  0.0079 -5.2458 3  328.8615 59  72503 3032927 2      2827 1        s-trans-Propenoic acid
  219103.4280  0.0079 -5.2458 3  328.8615 59  72503 3032927 3      2827 2        s-trans-Propenoic acid
  219107.8117  0.0057 -5.5967 3  432.8553105  72503 303521042      521043        s-trans-Propenoic acid
  219122.6884  0.0057 -5.0452 3  432.8548105  72503 303521042      52 943        s-trans-Propenoic acid
  219177.6498  0.0927 -5.4682 3  764.6751139  72503 303692050      691951        s-trans-Propenoic acid
  219196.7072  0.0072 -5.0517 3  316.6218 59  72503 3032926 3      2826 2        s-trans-Propenoic acid
  219196.7072  0.0072 -5.0517 3  316.6218 59  72503 3032926 4      2826 3        s-trans-Propenoic acid
  219265.8012  0.0056 -5.0446 3  432.8553105  72503 303521142      521043        s-trans-Propenoic acid
  219267.9207  0.0975 -5.3324 3  676.4754129  72503 303642044      641945        s-trans-Propenoic acid
  219280.6779  0.0056 -5.5960 3  432.8548105  72503 303521142      52 943        s-trans-Propenoic acid
  219298.8212  0.0066 -4.9098 3  304.8461 59  72503 3032925 4      2825 3        s-trans-Propenoic acid
  219298.8212  0.0066 -4.9098 3  304.8461 59  72503 3032925 5      2825 4        s-trans-Propenoic acid
  219313.5202  0.1639 -5.4899 3  772.5888139  72503 303692148      692049        s-trans-Propenoic acid
  219337.6460  0.0031 -5.5251 3  368.6654 97  72503 30348 840      48 841        s-trans-Propenoic acid
  219338.6403  0.0031 -5.0096 3  368.6653 97  72503 30348 840      48 741        s-trans-Propenoic acid
  219351.5088  0.0031 -5.0095 3  368.6654 97  72503 30348 940      48 841        s-trans-Propenoic acid
  219352.5032  0.0031 -5.5251 3  368.6653 97  72503 30348 940      48 741        s-trans-Propenoic acid
  219365.9662  0.5201 -6.2746 3 1215.7569179  72503 303892366      892267        s-trans-Propenoic acid
  219374.6621  0.0329 -5.8681 3  549.3005115  72503 303571840      561937        s-trans-Propenoic acid
  219397.9482  0.0103 -4.8907 3  325.7675 81  72503 303401723      401624        s-trans-Propenoic acid
  219399.9723  0.0103 -4.8907 3  325.7674 81  72503 303401724      401625        s-trans-Propenoic acid
  219411.4016  0.0060 -4.7970 3  293.5348 59  72503 3032924 5      2824 4        s-trans-Propenoic acid
  219411.4016  0.0060 -4.7970 3  293.5348 59  72503 3032924 6      2824 5        s-trans-Propenoic acid
  219452.0722  0.0016 -4.0754 3  166.0121 57  72503 30328 622      27 621        s-trans-Propenoic acid
  219462.9071  0.0313 -5.9376 3  631.3892127  72503 303631648      631449        s-trans-Propenoic acid
  219536.4528  0.0055 -4.7030 3  282.6884 59  72503 3032923 6      2823 5        s-trans-Propenoic acid
  219536.4528  0.0055 -4.7030 3  282.6884 59  72503 3032923 7      2823 6        s-trans-Propenoic acid
  219537.6402  0.0040 -5.5552 3  400.1221101  72503 30350 941      50 942        s-trans-Propenoic acid
  219541.6670  0.0040 -5.0223 3  400.1219101  72503 30350 941      50 842        s-trans-Propenoic acid
  219563.2577  0.0390 -5.9344 3  587.3796119  72503 303591941      582038        s-trans-Propenoic acid
  219586.4317  0.0039 -5.0221 3  400.1221101  72503 303501041      50 942        s-trans-Propenoic acid
  219590.4585  0.0039 -5.5550 3  400.1219101  72503 303501041      50 842        s-trans-Propenoic acid
  219614.7646  0.0921 -5.4369 3  746.4336137  72503 303682049      681950        s-trans-Propenoic acid
  219632.4821  0.0922 -5.4977 3  783.1680141  72503 303702051      701952        s-trans-Propenoic acid
  219676.4595  0.0049 -4.6224 3  272.3076 59  72503 3032922 7      2822 6        s-trans-Propenoic acid
  219676.4595  0.0049 -4.6224 3  272.3076 59  72503 3032922 8      2822 7        s-trans-Propenoic acid
  219753.7286  0.0228 -5.0225 3  463.9969103  72503 303511833      511734        s-trans-Propenoic acid
  219795.9013  0.0630 -5.3969 3  706.5236135  72503 303671651      671552        s-trans-Propenoic acid
  219805.1838  0.0455 -6.0047 3  626.9333123  72503 303612042      602139        s-trans-Propenoic acid
  219819.2973  0.0240 -5.2207 3  591.8798123  72503 303611547      611448        s-trans-Propenoic acid
  219834.5363  0.0044 -4.5517 3  262.3931 59  72503 3032921 8      2821 7        s-trans-Propenoic acid
  219834.5363  0.0044 -4.5517 3  262.3931 59  72503 3032921 9      2821 8        s-trans-Propenoic acid
  219870.8128  0.0610 -5.9914 3  521.0130113  72503 303561641      561442        s-trans-Propenoic acid
  219900.3824  0.0039 -5.4420 3   96.2356 35  72503 30317 512      16 413        s-trans-Propenoic acid
  220014.6338  0.0040 -4.4889 3  252.9458 59  72503 3032920 9      2820 8        s-trans-Propenoic acid
  220014.6338  0.0040 -4.4889 3  252.9458 59  72503 303292010      2820 9        s-trans-Propenoic acid
  220041.4398  0.0197 -5.7817 3  553.5196119  72503 303591346      591347        s-trans-Propenoic acid
  220046.8076  0.0036 -5.5434 3  265.0653 83  72503 30341 437      41 438        s-trans-Propenoic acid
  220046.8081  0.0036 -5.0920 3  265.0653 83  72503 30341 437      41 338        s-trans-Propenoic acid
  220046.8228  0.0036 -5.0920 3  265.0653 83  72503 30341 537      41 438        s-trans-Propenoic acid
  220046.8233  0.0036 -5.5434 3  265.0653 83  72503 30341 537      41 338        s-trans-Propenoic acid
  220054.1110  0.1306 -5.6004 3  831.9536147  72503 303731855      731756        s-trans-Propenoic acid
  220125.1813  0.0226 -5.0211 3  463.9829103  72503 303511834      511735        s-trans-Propenoic acid
  220129.0940  0.0462 -6.0034 3  626.9327123  72503 303612041      602140        s-trans-Propenoic acid
  220176.2670  0.0528 -6.0784 3  667.9590127  72503 303632143      622240        s-trans-Propenoic acid
  220221.8327  0.0035 -4.4326 3  243.9669 59  72503 303291910      2819 9        s-trans-Propenoic acid
  220221.8327  0.0035 -4.4326 3  243.9669 59  72503 303291911      281910        s-trans-Propenoic acid
  220306.4207  0.0531 -6.0779 3  667.9588127  72503 303632142      622241        s-trans-Propenoic acid
  220316.3854  0.0194 -5.1730 3  553.5104119  72503 303591346      591247        s-trans-Propenoic acid
  220349.7596  0.0405 -5.9312 3  587.3780119  72503 303591940      582039        s-trans-Propenoic acid
  220363.3404  0.0103 -4.8835 3  315.4734 79  72503 303391722      391623        s-trans-Propenoic acid
  220364.2480  0.0103 -4.8834 3  315.4733 79  72503 303391723      391624        s-trans-Propenoic acid
  220462.7718  0.0031 -4.3817 3  235.4580 59  72503 303291811      281810        s-trans-Propenoic acid
  220462.7718  0.0031 -4.3817 3  235.4580 59  72503 303291812      281811        s-trans-Propenoic acid
  220497.2215  0.0913 -5.4931 3  767.8980141  72503 303701753      701654        s-trans-Propenoic acid
  220525.5231  0.0015 -4.0736 3  160.9887 55  72503 30327 720      26 719        s-trans-Propenoic acid
  220571.6136  0.0446 -6.0288 3  672.0761131  72503 303651749      651550        s-trans-Propenoic acid
  220593.2360  0.0237 -5.8516 3  591.8540123  72503 303611547      611348        s-trans-Propenoic acid
  220609.7549  0.0500 -5.1872 3  587.3447119  72503 303591941      591842        s-trans-Propenoic acid
  220620.5925  0.0116 -5.7592 3  438.0949103  72503 303511438      501535        s-trans-Propenoic acid
  220647.4058  0.0497 -5.1670 3  571.9353117  72503 303581939      581840        s-trans-Propenoic acid
  220688.5144  0.0531 -5.4203 3  731.9546137  72503 303681851      681752        s-trans-Propenoic acid
  220691.9998  0.0609 -6.1551 3  710.4545131  72503 303652244      642341        s-trans-Propenoic acid
  220743.2042  0.0610 -6.1549 3  710.4545131  72503 303652243      642342        s-trans-Propenoic acid
  220746.2882  0.0027 -4.3354 3  227.4209 59  72503 303291712      281711        s-trans-Propenoic acid
  220746.2882  0.0027 -4.3354 3  227.4209 59  72503 303291713      281712        s-trans-Propenoic acid
  220808.5098  0.0904 -5.4042 3  728.4528135  72503 303672048      671949        s-trans-Propenoic acid
  220815.5486  0.0049 -6.1669 3  173.6289 57  72503 30328 919      28 722        s-trans-Propenoic acid
  220870.4310  0.0678 -5.4870 3  775.8005141  72503 303701952      701853        s-trans-Propenoic acid
  221049.0955  0.0017 -3.9850 3  185.1080 71  72503 30335 035      34 034        s-trans-Propenoic acid
  221049.0955  0.0017 -4.3763 3  185.1080 71  72503 30335 035      34 134        s-trans-Propenoic acid
  221049.0955  0.0017 -4.3763 3  185.1080 71  72503 30335 135      34 034        s-trans-Propenoic acid
  221049.0955  0.0017 -3.9850 3  185.1080 71  72503 30335 135      34 134        s-trans-Propenoic acid
  221050.8447  0.0015 -4.4223 3  184.5914 69  72503 30334 133      33 232        s-trans-Propenoic acid
  221050.8448  0.0015 -4.0016 3  184.5914 69  72503 30334 133      33 132        s-trans-Propenoic acid
  221050.8448  0.0015 -4.4223 3  184.5914 69  72503 30334 233      33 132        s-trans-Propenoic acid
  221050.8448  0.0015 -4.0016 3  184.5914 69  72503 30334 233      33 232        s-trans-Propenoic acid
  221073.4115  0.0014 -4.4737 3  183.5517 67  72503 30333 231      32 330        s-trans-Propenoic acid
  221073.4168  0.0014 -4.0174 3  183.5517 67  72503 30333 331      32 330        s-trans-Propenoic acid
  221073.4226  0.0014 -4.0174 3  183.5517 67  72503 30333 231      32 230        s-trans-Propenoic acid
  221073.4278  0.0014 -4.4737 3  183.5517 67  72503 30333 331      32 230        s-trans-Propenoic acid
  221077.8267  0.0912 -5.5252 3  801.9027143  72503 303712052      711953        s-trans-Propenoic acid
  221084.4107  0.0024 -4.2931 3  219.8582 59  72503 303291613      281612        s-trans-Propenoic acid
  221084.4107  0.0024 -4.2931 3  219.8582 59  72503 303291614      281613        s-trans-Propenoic acid
  221099.4171  0.0050 -5.3000 3  223.5342 77  72503 30338 236      38 137        s-trans-Propenoic acid
  221099.4171  0.0050 -5.7231 3  223.5342 77  72503 30338 236      38 237        s-trans-Propenoic acid
  221099.4173  0.0050 -5.7231 3  223.5342 77  72503 30338 336      38 137        s-trans-Propenoic acid
  221099.4173  0.0050 -5.3000 3  223.5342 77  72503 30338 336      38 237        s-trans-Propenoic acid
  221148.2314  0.0014 -4.5328 3  181.9693 65  72503 30332 329      31 428        s-trans-Propenoic acid
  221148.5853  0.0014 -4.0322 3  181.9693 65  72503 30332 429      31 428        s-trans-Propenoic acid
  221148.9478  0.0014 -4.0322 3  181.9693 65  72503 30332 329      31 328        s-trans-Propenoic acid
  221149.3016  0.0014 -4.5328 3  181.9693 65  72503 30332 429      31 328        s-trans-Propenoic acid
  221157.7893  0.0024 -4.9560 3  105.5229 37  72503 30318 712      17 611        s-trans-Propenoic acid
  221229.2185  0.0359 -5.8604 3  549.2964115  72503 303571839      561938        s-trans-Propenoic acid
  221245.6239  0.0103 -4.8777 3  305.4498 77  72503 303381721      381622        s-trans-Propenoic acid
  221246.0196  0.0103 -4.8777 3  305.4498 77  72503 303381722      381623        s-trans-Propenoic acid
  221302.0380  0.0027 -5.1440 3  102.8967 37  72503 30318 612      17 513        s-trans-Propenoic acid
  221315.8690  0.0014 -4.6979 3  177.0363 61  72503 30330 525      29 624        s-trans-Propenoic acid
  221324.4411  0.0014 -4.6038 3  179.8132 63  72503 30331 427      30 526        s-trans-Propenoic acid
  221339.1795  0.0014 -4.0456 3  179.8132 63  72503 30331 527      30 526        s-trans-Propenoic acid
  221343.3437  0.0699 -6.2349 3  754.4182135  72503 303672345      662442        s-trans-Propenoic acid
  221352.6149  0.0014 -4.0456 3  179.8122 63  72503 30331 427      30 426        s-trans-Propenoic acid
  221363.1202  0.0700 -6.2348 3  754.4182135  72503 303672344      662443        s-trans-Propenoic acid
  221367.3532  0.0014 -4.6036 3  179.8122 63  72503 30331 527      30 426        s-trans-Propenoic acid
  221483.1365  0.0148 -5.8219 3  451.7235105  72503 303521439      511536        s-trans-Propenoic acid
  221483.7464  0.0016 -4.1001 3  173.6066 57  72503 30328 919      27 918        s-trans-Propenoic acid
  221493.9669  0.0020 -4.2544 3  212.7736 59  72503 303291515      281514        s-trans-Propenoic acid
  221493.9679  0.0020 -4.2544 3  212.7736 59  72503 303291514      281513        s-trans-Propenoic acid
  221504.2061  0.3647 -5.8137 3  964.9919157  72503 303782355      782256        s-trans-Propenoic acid
  221523.5733  0.0778 -6.0464 3  605.1562123  72503 303611745      611546        s-trans-Propenoic acid
  221574.4722  0.0014 -4.0694 3  173.6289 59  72503 30329 723      28 722        s-trans-Propenoic acid
  221615.1900  0.0427 -5.9593 3  443.7678103  72503 303511537      511338        s-trans-Propenoic acid
  221697.3426  0.0014 -4.0571 3  177.0363 61  72503 30330 625      29 624        s-trans-Propenoic acid
  221874.3301  0.0207 -5.0006 3  450.6994101  72503 303501832      501733        s-trans-Propenoic acid
  221991.7095  0.0015 -4.0559 3  177.0138 61  72503 30330 525      29 524        s-trans-Propenoic acid
  221999.3265  0.0018 -4.2187 3  206.1718 59  72503 303291416      281415        s-trans-Propenoic acid
  221999.3505  0.0018 -4.2187 3  206.1718 59  72503 303291415      281414        s-trans-Propenoic acid
  222051.7287  0.0105 -4.8735 3  295.6955 75  72503 303371720      371621        s-trans-Propenoic acid
  222051.8962  0.0105 -4.8735 3  295.6955 75  72503 303371721      371622        s-trans-Propenoic acid
  222076.8925  0.0206 -4.9998 3  450.6919101  72503 303501833      501734        s-trans-Propenoic acid
  222113.6812  0.0799 -6.3176 3  799.8484139  72503 303692446      682543        s-trans-Propenoic acid
  222117.7799  0.0033 -5.5093 3  291.9318 87  72503 30343 538      43 539        s-trans-Propenoic acid
  222117.7835  0.0033 -5.0435 3  291.9318 87  72503 30343 538      43 439        s-trans-Propenoic acid
  222117.8670  0.0033 -5.0435 3  291.9318 87  72503 30343 638      43 539        s-trans-Propenoic acid
  222117.8706  0.0033 -5.5093 3  291.9318 87  72503 30343 638      43 439        s-trans-Propenoic acid
  222121.1961  0.0800 -6.3176 3  799.8484139  72503 303692445      682544        s-trans-Propenoic acid
  222148.1668  0.0177 -5.1661 3  553.5196119  72503 303591446      591347        s-trans-Propenoic acid
  222221.4014  0.0424 -5.3529 3  689.3160133  72503 303661750      661651        s-trans-Propenoic acid
  222373.1830  0.0015 -4.6935 3  177.0138 61  72503 30330 625      29 524        s-trans-Propenoic acid
  222397.9042  0.8909 -6.3852 3 1284.6587183  72503 303912665      912566        s-trans-Propenoic acid
  222423.1124  0.0176 -5.7729 3  553.5104119  72503 303591446      591247        s-trans-Propenoic acid
  222458.1852  0.0030 -4.7368 3   93.3904 25  72503 3031210 3      11 9 2        s-trans-Propenoic acid
  222458.1853  0.0030 -4.7368 3   93.3904 25  72503 3031210 2      11 9 3        s-trans-Propenoic acid
  222601.9152  0.0874 -5.3705 3  710.7408133  72503 303662047      661948        s-trans-Propenoic acid
  222637.2958  0.0016 -4.1857 3  200.0601 59  72503 303291317      281316        s-trans-Propenoic acid
  222637.7612  0.0016 -4.1857 3  200.0601 59  72503 303291316      281315        s-trans-Propenoic acid
  222787.7980  0.0106 -4.8709 3  286.2093 73  72503 303361719      361620        s-trans-Propenoic acid
  222787.8668  0.0106 -4.8709 3  286.2093 73  72503 303361720      361621        s-trans-Propenoic acid
  222931.5128  0.0037 -6.5048 3   78.6676 25  72503 30312 6 6      11 4 7        s-trans-Propenoic acid
  222985.8799  0.0911 -6.4033 3  846.7436143  72503 303712547      702644        s-trans-Propenoic acid
  222988.6943  0.0911 -6.4033 3  846.7436143  72503 303712546      702645        s-trans-Propenoic acid
  223179.7763  0.0460 -5.1574 3  571.8370117  72503 303581940      581841        s-trans-Propenoic acid
  223254.3792  0.0328 -5.7894 3  512.6896111  72503 303551738      541837        s-trans-Propenoic acid
  223270.8323  0.0132 -5.7061 3  516.3886115  72503 303571245      571246        s-trans-Propenoic acid
  223362.1529  0.0131 -5.1207 3  516.3855115  72503 303571245      571146        s-trans-Propenoic acid
  223459.3390  0.0108 -4.8700 3  276.9903 71  72503 303351718      351619        s-trans-Propenoic acid
  223459.3663  0.0108 -4.8700 3  276.9903 71  72503 303351719      351620        s-trans-Propenoic acid
  223464.9659  0.0014 -4.1549 3  194.4492 59  72503 303291218      281217        s-trans-Propenoic acid
  223472.1540  0.0014 -4.1549 3  194.4494 59  72503 303291217      281216        s-trans-Propenoic acid
  223564.2296  0.0905 -5.5506 3  820.8700145  72503 303722053      721954        s-trans-Propenoic acid
  223613.3592  0.0026 -4.7861 3   95.8091 29  72503 30314 9 6      13 8 5        s-trans-Propenoic acid
  223613.6482  0.0026 -4.7861 3   95.8091 29  72503 30314 9 5      13 8 6        s-trans-Propenoic acid
  223700.7181  0.0118 -5.4121 3  291.5680 81  72503 303401129      391228        s-trans-Propenoic acid
  223776.2356  0.0190 -4.9804 3  437.6880 99  72503 303491831      491732        s-trans-Propenoic acid
  223792.1100  0.0034 -6.2135 3   79.4947 27  72503 30313 5 9      12 210        s-trans-Propenoic acid
  223811.6387  0.0031 -5.4971 3  320.1185 91  72503 30345 639      45 640        s-trans-Propenoic acid
  223811.6604  0.0031 -5.0167 3  320.1185 91  72503 30345 639      45 540        s-trans-Propenoic acid
  223812.0706  0.0031 -5.0167 3  320.1185 91  72503 30345 739      45 640        s-trans-Propenoic acid
  223812.0923  0.0031 -5.4971 3  320.1185 91  72503 30345 739      45 540        s-trans-Propenoic acid
  223879.2418  0.0042 -5.1662 3  248.3549 81  72503 30340 337      40 238        s-trans-Propenoic acid
  223879.2418  0.0042 -5.6025 3  248.3549 81  72503 30340 337      40 338        s-trans-Propenoic acid
  223879.2428  0.0042 -5.1662 3  248.3549 81  72503 30340 437      40 338        s-trans-Propenoic acid
  223879.2429  0.0042 -5.6025 3  248.3549 81  72503 30340 437      40 238        s-trans-Propenoic acid
  223884.3083  0.0189 -4.9800 3  437.6840 99  72503 303491832      491733        s-trans-Propenoic acid
  223904.6580  0.0293 -5.8603 3  607.6555125  72503 303621448      621449        s-trans-Propenoic acid
  223944.7399  0.1034 -6.4920 3  895.1025147  72503 303732648      722745        s-trans-Propenoic acid
  223945.7804  0.1034 -6.4920 3  895.1025147  72503 303732647      722746        s-trans-Propenoic acid
  223951.1365  0.4191 -6.1206 3 1137.5533173  72503 303862264      862165        s-trans-Propenoic acid
  224061.3913  0.0126 -5.1181 3  516.3886115  72503 303571345      571246        s-trans-Propenoic acid
  224071.3313  0.0110 -4.8708 3  268.0374 69  72503 303341717      341618        s-trans-Propenoic acid
  224071.3418  0.0110 -4.8708 3  268.0374 69  72503 303341718      341619        s-trans-Propenoic acid
  224152.7119  0.0125 -5.7029 3  516.3855115  72503 303571345      571146        s-trans-Propenoic acid
  224189.1618  0.0441 -5.1344 3  556.6758115  72503 303571938      571839        s-trans-Propenoic acid
  224234.2569  0.0061 -5.5544 3  207.8509 75  72503 30337 136      37 037        s-trans-Propenoic acid
  224234.2569  0.0061 -5.9640 3  207.8509 75  72503 30337 136      37 137        s-trans-Propenoic acid
  224234.2569  0.0061 -5.9640 3  207.8509 75  72503 30337 236      37 037        s-trans-Propenoic acid
  224234.2569  0.0061 -5.5544 3  207.8509 75  72503 30337 236      37 137        s-trans-Propenoic acid
  224341.0412  0.0024 -4.8473 3   99.7890 33  72503 30316 8 9      15 7 8        s-trans-Propenoic acid
  224365.4117  0.0285 -5.2363 3  607.6401125  72503 303621448      621349        s-trans-Propenoic acid
  224418.7471  0.0023 -4.8471 3   99.7867 33  72503 30316 8 8      15 7 9        s-trans-Propenoic acid
  224499.0962  0.0165 -5.7125 3  457.3719105  72503 303521538      511635        s-trans-Propenoic acid
  224512.6537  0.0016 -4.8043 3  181.0198 61  72503 30330 624      29 723        s-trans-Propenoic acid
  224557.5294  0.0014 -4.1260 3  189.3556 59  72503 303291119      281118        s-trans-Propenoic acid
  224621.7784  0.0333 -5.2873 3  647.8810129  72503 303641649      641550        s-trans-Propenoic acid
  224628.3091  0.0112 -4.8735 3  259.3496 67  72503 303331716      331617        s-trans-Propenoic acid
  224628.3129  0.0112 -4.8735 3  259.3496 67  72503 303331717      331618        s-trans-Propenoic acid
  224643.6492  0.0014 -4.1257 3  189.3582 59  72503 303291118      281117        s-trans-Propenoic acid
  224766.4213  0.0048 -6.2088 3  156.3497 51  72503 303251016      25 817        s-trans-Propenoic acid
  224778.1369  0.0016 -4.0550 3  173.3322 59  72503 30329 623      28 622        s-trans-Propenoic acid
  224832.5577  0.0834 -5.3364 3  693.3050131  72503 303652046      651947        s-trans-Propenoic acid
  224893.8824  0.0848 -5.2876 3  659.4855127  72503 303632043      631944        s-trans-Propenoic acid
  225033.8615  0.0071 -5.2242 3  234.1158 71  72503 30335 926      341025        s-trans-Propenoic acid
  225098.6960  0.0030 -5.5018 3  349.6154 95  72503 30347 740      47 741        s-trans-Propenoic acid
  225098.8086  0.0030 -5.0062 3  349.6154 95  72503 30347 740      47 641        s-trans-Propenoic acid
  225100.5921  0.0030 -5.0061 3  349.6154 95  72503 30347 840      47 741        s-trans-Propenoic acid
  225100.7048  0.0030 -5.5018 3  349.6154 95  72503 30347 840      47 641        s-trans-Propenoic acid
  225129.0185  0.0088 -5.6433 3  480.4998111  72503 303551144      551145        s-trans-Propenoic acid
  225134.4239  0.0114 -4.8781 3  250.9261 65  72503 303321715      321616        s-trans-Propenoic acid
  225134.4253  0.0114 -4.8781 3  250.9261 65  72503 303321716      321617        s-trans-Propenoic acid
  225157.2913  0.0088 -5.0786 3  480.4988111  72503 303551144      551045        s-trans-Propenoic acid
  225187.2102  0.0266 -5.9492 3  373.4843 93  72503 303461433      461234        s-trans-Propenoic acid
  225188.8484  0.0075 -6.4705 3  124.8912 45  72503 30322 616      22 319        s-trans-Propenoic acid
  225383.5882  0.0440 -6.0255 3  689.2105133  72503 303661750      661551        s-trans-Propenoic acid
  225405.3460  0.0086 -5.0777 3  480.4998111  72503 303551244      551145        s-trans-Propenoic acid
  225433.6187  0.0086 -5.6422 3  480.4988111  72503 303551244      551045        s-trans-Propenoic acid
  225496.0635  0.0175 -4.9618 3  424.9595 97  72503 303481830      481731        s-trans-Propenoic acid
  225552.4748  0.0175 -4.9616 3  424.9575 97  72503 303481831      481732        s-trans-Propenoic acid
  225593.4957  0.0117 -4.8849 3  242.7660 63  72503 303311714      311615        s-trans-Propenoic acid
  225593.4961  0.0117 -4.8849 3  242.7660 63  72503 303311715      311616        s-trans-Propenoic acid
  225691.9512  0.0421 -5.1287 3  556.6181115  72503 303571939      571840        s-trans-Propenoic acid
  225701.6980  0.0014 -4.0655 3  177.1601 59  72503 30329 822      28 821        s-trans-Propenoic acid
  225748.6302  0.0026 -4.9583 3  110.2785 39  72503 30319 713      18 612        s-trans-Propenoic acid
  225802.5648  0.2319 -5.6105 3  855.9737147  72503 303732251      732152        s-trans-Propenoic acid
  225868.6117  0.0331 -5.9331 3  647.8394129  72503 303641649      641450        s-trans-Propenoic acid
  225887.5040  0.0014 -4.0990 3  184.8001 59  72503 303291020      281019        s-trans-Propenoic acid
  225901.9408  0.0022 -4.9448 3  105.3925 37  72503 30318 711      17 612        s-trans-Propenoic acid
  225940.7529  0.0032 -5.5201 3  380.4127 99  72503 30349 841      49 842        s-trans-Propenoic acid
  225941.2711  0.0032 -5.0087 3  380.4127 99  72503 30349 841      49 742        s-trans-Propenoic acid
  225948.2516  0.0032 -5.0086 3  380.4127 99  72503 30349 941      49 842        s-trans-Propenoic acid
  225948.7699  0.0032 -5.5201 3  380.4127 99  72503 30349 941      49 742        s-trans-Propenoic acid
  226007.6857  0.0703 -5.5045 3  794.3639143  72503 303711953      711854        s-trans-Propenoic acid
  226009.0539  0.0119 -4.8940 3  234.8685 61  72503 303301713      301614        s-trans-Propenoic acid
  226009.0541  0.0119 -4.8940 3  234.8685 61  72503 303301714      301615        s-trans-Propenoic acid
  226057.4718  0.0058 -5.5916 3  445.8661107  72503 303531043      531044        s-trans-Propenoic acid
  226065.5909  0.0058 -5.0458 3  445.8659107  72503 303531043      53 944        s-trans-Propenoic acid
  226066.4682  0.0031 -4.9458 3  192.4563 63  72503 30331 724      30 823        s-trans-Propenoic acid
  226147.3016  0.0058 -5.0455 3  445.8661107  72503 303531143      531044        s-trans-Propenoic acid
  226155.4207  0.0058 -5.5912 3  445.8659107  72503 303531143      53 944        s-trans-Propenoic acid
  226285.3837  0.0073 -6.0645 3  205.1043 63  72503 303311121      31 922        s-trans-Propenoic acid
  226285.9244  0.0040 -5.5504 3  412.4999103  72503 30351 942      51 943        s-trans-Propenoic acid
  226288.0720  0.0040 -5.0223 3  412.4998103  72503 30351 942      51 843        s-trans-Propenoic acid
  226312.9761  0.0040 -5.0222 3  412.4999103  72503 303511042      51 943        s-trans-Propenoic acid
  226315.1237  0.0040 -5.5503 3  412.4998103  72503 303511042      51 843        s-trans-Propenoic acid
  226336.1970  0.0037 -5.5371 3  274.5152 85  72503 30342 438      42 439        s-trans-Propenoic acid
  226336.1972  0.0037 -5.0873 3  274.5152 85  72503 30342 438      42 339        s-trans-Propenoic acid
  226336.2044  0.0037 -5.0873 3  274.5152 85  72503 30342 538      42 439        s-trans-Propenoic acid
  226336.2046  0.0037 -5.5371 3  274.5152 85  72503 30342 538      42 339        s-trans-Propenoic acid
  226366.5465  0.0236 -5.5950 3  399.1364 97  72503 303481434      471533        s-trans-Propenoic acid
  226384.3716  0.0121 -4.9057 3  227.2328 59  72503 303291712      291613        s-trans-Propenoic acid
  226384.3717  0.0121 -4.9057 3  227.2328 59  72503 303291713      291614        s-trans-Propenoic acid
  226467.1290  0.0767 -6.1226 3  713.8552135  72503 303671850      671651        s-trans-Propenoic acid
  226529.4384  0.4915 -5.9641 3 1058.6961165  72503 303822458      822359        s-trans-Propenoic acid
  226544.1998  0.0092 -5.5793 3  362.0341 61  72503 3033029 1      2929 0        s-trans-Propenoic acid
  226544.1998  0.0092 -5.5793 3  362.0341 61  72503 3033029 2      2929 1        s-trans-Propenoic acid
  226630.8280  0.0085 -5.2579 3  348.8703 61  72503 3033028 2      2928 1        s-trans-Propenoic acid
  226630.8280  0.0085 -5.2579 3  348.8703 61  72503 3033028 3      2928 2        s-trans-Propenoic acid
  226646.2733  0.0014 -4.0961 3  184.8283 59  72503 303291019      281018        s-trans-Propenoic acid
  226722.4941  0.0124 -4.9203 3  219.8582 57  72503 303281711      281612        s-trans-Propenoic acid
  226722.4941  0.0124 -4.9203 3  219.8582 57  72503 303281712      281613        s-trans-Propenoic acid
  226724.5762  0.0079 -5.0626 3  336.1700 61  72503 3033027 3      2927 2        s-trans-Propenoic acid
  226724.5762  0.0079 -5.0626 3  336.1700 61  72503 3033027 4      2927 3        s-trans-Propenoic acid
  226808.3030  0.0014 -4.0765 3  180.7781 59  72503 30329 921      28 920        s-trans-Propenoic acid
  226813.8174  0.1417 -5.4351 3  754.1512137  72503 303682147      682048        s-trans-Propenoic acid
  226826.6758  0.0072 -4.9194 3  323.9334 61  72503 3033026 4      2926 3        s-trans-Propenoic acid
  226826.6758  0.0072 -4.9194 3  323.9334 61  72503 3033026 5      2926 4        s-trans-Propenoic acid
  226935.6611  0.0037 -6.3840 3   81.8644 27  72503 30313 6 7      12 4 8        s-trans-Propenoic acid
  226938.6150  0.0066 -4.8054 3  312.1611 61  72503 3033025 5      2925 4        s-trans-Propenoic acid
  226938.6150  0.0066 -4.8054 3  312.1611 61  72503 3033025 6      2925 5        s-trans-Propenoic acid
  226990.5703  0.0432 -5.9503 3  664.5045131  72503 303651550      651551        s-trans-Propenoic acid
  227008.5948  0.0033 -5.8616 3   95.9985 35  72503 30317 512      16 313        s-trans-Propenoic acid
  227026.2626  0.0126 -4.9383 3  212.7440 55  72503 303271710      271611        s-trans-Propenoic acid
  227026.2626  0.0126 -4.9383 3  212.7440 55  72503 303271711      271612        s-trans-Propenoic acid
  227027.3332  0.0564 -5.4331 3  749.8762139  72503 303691852      691753        s-trans-Propenoic acid
  227060.3904  0.0163 -4.9447 3  412.5117 95  72503 303471829      471730        s-trans-Propenoic acid
  227062.2068  0.0060 -4.7102 3  300.8536 61  72503 3033024 6      2924 5        s-trans-Propenoic acid
  227062.2068  0.0060 -4.7102 3  300.8536 61  72503 3033024 7      2924 6        s-trans-Propenoic acid
  227088.8278  0.0907 -5.5740 3  840.0611147  72503 303732054      731955        s-trans-Propenoic acid
  227089.1930  0.0163 -4.9446 3  412.5107 95  72503 303471830      471731        s-trans-Propenoic acid
  227192.6113  0.0254 -5.2259 3  607.6555125  72503 303621548      621449        s-trans-Propenoic acid
  227199.6789  0.0055 -4.6283 3  290.0114 61  72503 3033023 7      2923 6        s-trans-Propenoic acid
  227199.6789  0.0055 -4.6283 3  290.0114 61  72503 3033023 8      2923 7        s-trans-Propenoic acid
  227227.5559  0.0395 -5.1045 3  541.7210113  72503 303561937      561838        s-trans-Propenoic acid
  227267.3032  0.0910 -6.1236 3  696.1568133  72503 303661849      661650        s-trans-Propenoic acid
  227267.4256  0.0311 -5.7155 3  477.5587107  72503 303531637      521736        s-trans-Propenoic acid
  227271.9962  0.0018 -3.9641 3  192.4814 73  72503 30336 036      35 035        s-trans-Propenoic acid
  227271.9962  0.0018 -4.3550 3  192.4814 73  72503 30336 036      35 135        s-trans-Propenoic acid
  227271.9962  0.0018 -4.3550 3  192.4814 73  72503 30336 136      35 035        s-trans-Propenoic acid
  227271.9962  0.0018 -3.9641 3  192.4814 73  72503 30336 136      35 135        s-trans-Propenoic acid
  227273.2733  0.0016 -4.3996 3  191.9648 71  72503 30335 134      34 233        s-trans-Propenoic acid
  227273.2734  0.0016 -3.9802 3  191.9648 71  72503 30335 134      34 133        s-trans-Propenoic acid
  227273.2734  0.0016 -4.3996 3  191.9648 71  72503 30335 234      34 133        s-trans-Propenoic acid
  227273.2734  0.0016 -3.9802 3  191.9648 71  72503 30335 234      34 233        s-trans-Propenoic acid
  227293.7293  0.0014 -4.4492 3  190.9259 69  72503 30334 232      33 331        s-trans-Propenoic acid
  227293.7318  0.0014 -3.9956 3  190.9259 69  72503 30334 332      33 331        s-trans-Propenoic acid
  227293.7345  0.0014 -3.9956 3  190.9259 69  72503 30334 232      33 231        s-trans-Propenoic acid
  227293.7370  0.0014 -4.4492 3  190.9259 69  72503 30334 332      33 231        s-trans-Propenoic acid
  227295.9193  0.0527 -6.1034 3  544.8055117  72503 303581544      571641        s-trans-Propenoic acid
  227298.3347  0.0129 -4.9600 3  205.8896 53  72503 3032617 9      261610        s-trans-Propenoic acid
  227298.3347  0.0129 -4.9600 3  205.8896 53  72503 303261710      261611        s-trans-Propenoic acid
  227332.9292  0.0051 -5.2935 3  231.9453 79  72503 30339 237      39 138        s-trans-Propenoic acid
  227332.9292  0.0051 -5.7158 3  231.9453 79  72503 30339 237      39 238        s-trans-Propenoic acid
  227332.9292  0.0051 -5.7158 3  231.9453 79  72503 30339 337      39 138        s-trans-Propenoic acid
  227332.9292  0.0051 -5.2935 3  231.9453 79  72503 30339 337      39 238        s-trans-Propenoic acid
  227347.1046  0.0786 -5.3024 3  676.1510129  72503 303642045      641946        s-trans-Propenoic acid
  227353.7963  0.0049 -4.5563 3  279.6352 61  72503 3033022 8      2922 7        s-trans-Propenoic acid
  227353.7963  0.0049 -4.5563 3  279.6352 61  72503 3033022 9      2922 8        s-trans-Propenoic acid
  227361.9733  0.0014 -4.5057 3  189.3460 67  72503 30333 330      32 429        s-trans-Propenoic acid
  227362.1470  0.0014 -4.0099 3  189.3460 67  72503 30333 430      32 429        s-trans-Propenoic acid
  227362.3271  0.0014 -4.0099 3  189.3460 67  72503 30333 330      32 329        s-trans-Propenoic acid
  227362.5009  0.0014 -4.5057 3  189.3460 67  72503 30333 430      32 329        s-trans-Propenoic acid
  227400.4982  0.0018 -4.0580 3  170.5493 57  72503 30328 820      27 819        s-trans-Propenoic acid
  227446.8412  0.0034 -4.8929 3  158.8717 55  72503 30327 721      26 620        s-trans-Propenoic acid
  227527.9218  0.0014 -4.5728 3  187.1963 65  72503 30332 428      31 527        s-trans-Propenoic acid
  227528.0283  0.0044 -4.4923 3  269.7260 61  72503 3033021 9      2921 8        s-trans-Propenoic acid
  227528.0283  0.0044 -4.4923 3  269.7260 61  72503 303302110      2921 9        s-trans-Propenoic acid
  227535.5620  0.0014 -4.0229 3  187.1963 65  72503 30332 528      31 527        s-trans-Propenoic acid
  227541.2020  0.0131 -4.9864 3  199.2942 51  72503 3032517 8      2516 9        s-trans-Propenoic acid
  227541.2020  0.0131 -4.9864 3  199.2942 51  72503 3032517 9      251610        s-trans-Propenoic acid
  227542.6601  0.0014 -4.0228 3  187.1958 65  72503 30332 428      31 427        s-trans-Propenoic acid
  227550.3003  0.0014 -4.5727 3  187.1958 65  72503 30332 528      31 427        s-trans-Propenoic acid
  227649.8233  0.0038 -4.9307 3  151.9209 53  72503 30326 720      25 619        s-trans-Propenoic acid
  227653.3650  0.0251 -5.8469 3  607.6401125  72503 303621548      621349        s-trans-Propenoic acid
  227675.7284  0.0014 -4.6593 3  184.4313 63  72503 30331 526      30 625        s-trans-Propenoic acid
  227677.9466  0.0053 -5.9073 3  166.0121 55  72503 30327 918      27 621        s-trans-Propenoic acid
  227726.7822  0.0039 -4.4347 3  260.2847 61  72503 303302010      2920 9        s-trans-Propenoic acid
  227726.7822  0.0039 -4.4347 3  260.2847 61  72503 303302011      292010        s-trans-Propenoic acid
  227743.8373  0.0414 -5.3102 3  664.4794131  72503 303651550      651451        s-trans-Propenoic acid
  227757.2039  0.0134 -5.0183 3  192.9573 49  72503 3032417 7      2416 8        s-trans-Propenoic acid
  227757.2039  0.0134 -5.0183 3  192.9573 49  72503 3032417 8      2416 9        s-trans-Propenoic acid
  227802.6339  0.3222 -5.9747 3 1061.9815167  72503 303832162      832063        s-trans-Propenoic acid
  227887.8666  0.0014 -4.0340 3  184.4313 63  72503 30331 626      30 625        s-trans-Propenoic acid
  227888.6704  0.1110 -6.3500 3  631.1081127  72503 303631648      621745        s-trans-Propenoic acid
  227911.6110  0.2054 -6.4296 3  918.9301155  72503 303771958      771959        s-trans-Propenoic acid
  227912.0154  0.0015 -4.0444 3  168.3446 57  72503 30328 721      27 720        s-trans-Propenoic acid
  227948.5407  0.0136 -5.0571 3  186.8783 47  72503 3032317 6      2316 7        s-trans-Propenoic acid
  227948.5407  0.0136 -5.0571 3  186.8783 47  72503 3032317 7      2316 8        s-trans-Propenoic acid
  227955.7365  0.0035 -4.3826 3  251.3127 61  72503 303301911      291910        s-trans-Propenoic acid
  227955.7365  0.0035 -4.3826 3  251.3127 61  72503 303301912      291911        s-trans-Propenoic acid
  228039.5724  0.0014 -4.0445 3  181.0198 61  72503 30330 724      29 723        s-trans-Propenoic acid
  228052.1122  0.0035 -6.5022 3   78.4944 25  72503 30312 6 7      11 4 8        s-trans-Propenoic acid
  228057.2020  0.0014 -4.0333 3  184.4186 63  72503 30331 526      30 525        s-trans-Propenoic acid
  228099.4696  0.0384 -5.1013 3  541.6878113  72503 303561938      561839        s-trans-Propenoic acid
  228117.2840  0.0139 -5.1050 3  181.0567 45  72503 3032217 5      2216 6        s-trans-Propenoic acid
  228117.2840  0.0139 -5.1050 3  181.0567 45  72503 3032217 6      2216 7        s-trans-Propenoic acid
  228176.8785  0.0671 -6.1217 3  731.7048137  72503 303681851      681652        s-trans-Propenoic acid
  228191.9314  0.0197 -5.7738 3  568.6499121  72503 303601347      601348        s-trans-Propenoic acid
  228222.3294  0.0030 -4.3350 3  242.8118 61  72503 303301812      291811        s-trans-Propenoic acid
  228222.3294  0.0030 -4.3350 3  242.8118 61  72503 303301813      291812        s-trans-Propenoic acid
  228250.2648  0.0230 -5.7397 3  491.4651109  72503 303541639      531736        s-trans-Propenoic acid
  228265.3857  0.0141 -5.1650 3  175.4919 43  72503 3032117 4      2116 5        s-trans-Propenoic acid
  228265.3857  0.0141 -5.1650 3  175.4919 43  72503 3032117 5      2116 6        s-trans-Propenoic acid
  228269.3402  0.0015 -4.6569 3  184.4186 63  72503 30331 626      30 525        s-trans-Propenoic acid
  228346.1444  0.0030 -4.8509 3  166.0121 57  72503 30328 722      27 621        s-trans-Propenoic acid
  228351.5866  0.0195 -5.1745 3  568.6446121  72503 303601347      601248        s-trans-Propenoic acid
  228353.3409  0.0047 -5.7815 3   89.9389 33  72503 30316 412      15 313        s-trans-Propenoic acid
  228394.6857  0.0144 -5.2427 3  170.1834 41  72503 3032017 3      2016 4        s-trans-Propenoic acid
  228394.6857  0.0144 -5.2427 3  170.1834 41  72503 3032017 4      2016 5        s-trans-Propenoic acid
  228452.4157  0.0034 -5.5039 3  302.0059 89  72503 30344 539      44 540        s-trans-Propenoic acid
  228452.4175  0.0034 -5.0402 3  302.0059 89  72503 30344 539      44 440        s-trans-Propenoic acid
  228452.4593  0.0034 -5.0402 3  302.0059 89  72503 30344 639      44 540        s-trans-Propenoic acid
  228452.4610  0.0034 -5.5039 3  302.0059 89  72503 30344 639      44 440        s-trans-Propenoic acid
  228489.0644  0.0153 -4.9291 3  400.3424 93  72503 303461828      461729        s-trans-Propenoic acid
  228500.8863  0.0157 -5.9606 3  310.2371 83  72503 303411329      411130        s-trans-Propenoic acid
  228503.4449  0.0153 -4.9290 3  400.3419 93  72503 303461829      461730        s-trans-Propenoic acid
  228506.9183  0.0146 -5.3482 3  165.1308 39  72503 3031917 2      1916 3        s-trans-Propenoic acid
  228506.9183  0.0146 -5.3482 3  165.1308 39  72503 3031917 3      1916 4        s-trans-Propenoic acid
  228536.4942  0.0027 -4.2915 3  234.7842 61  72503 303301713      291712        s-trans-Propenoic acid
  228536.4942  0.0027 -4.2915 3  234.7842 61  72503 303301714      291713        s-trans-Propenoic acid
  228603.7176  0.0149 -5.5046 3  160.3335 37  72503 3031817 1      1816 2        s-trans-Propenoic acid
  228603.7176  0.0149 -5.5046 3  160.3335 37  72503 3031817 2      1816 3        s-trans-Propenoic acid
  228609.7797  0.1254 -5.5784 3  847.6359147  72503 303732153      732054        s-trans-Propenoic acid
  228628.6116  0.0040 -4.9606 3  145.1773 51  72503 30325 719      24 618        s-trans-Propenoic acid
  228686.6221  0.0151 -5.7856 3  155.7912 35  72503 3031717 0      1716 1        s-trans-Propenoic acid
  228686.6221  0.0151 -5.7856 3  155.7912 35  72503 3031717 1      1716 2        s-trans-Propenoic acid
  228771.6886  0.0038 -4.6683 3   95.0034 23  72503 3031111 0      1010 1        s-trans-Propenoic acid
  228771.6886  0.0038 -4.6683 3   95.0034 23  72503 3031111 1      1010 0        s-trans-Propenoic acid
  228878.3382  0.1257 -5.5449 3  828.3273145  72503 303722152      722053        s-trans-Propenoic acid
  228911.8119  0.0023 -4.2515 3  227.2328 61  72503 303301615      291614        s-trans-Propenoic acid
  228911.8120  0.0023 -4.2515 3  227.2328 61  72503 303301614      291613        s-trans-Propenoic acid
  229056.6300  0.0029 -4.9665 3  115.3459 41  72503 30320 714      19 613        s-trans-Propenoic acid
  229141.0278  0.0636 -6.0517 3  724.0615137  72503 303681652      681653        s-trans-Propenoic acid
  229230.8126  0.0889 -6.0511 3  588.7939121  72503 303601744      601545        s-trans-Propenoic acid
  229266.5280  0.0050 -5.0695 3  212.6071 67  72503 30333 825      32 924        s-trans-Propenoic acid
  229279.8373  0.1239 -5.6101 3  867.1936149  72503 303742154      742055        s-trans-Propenoic acid
  229288.5082  0.0452 -5.3625 3  706.5891135  72503 303671751      671652        s-trans-Propenoic acid
  229367.3980  0.0020 -4.2147 3  220.1618 61  72503 303301516      291515        s-trans-Propenoic acid
  229367.4009  0.0020 -4.2147 3  220.1618 61  72503 303301515      291514        s-trans-Propenoic acid
  229445.3999  0.0100 -5.9962 3  254.0942 73  72503 303361225      361026        s-trans-Propenoic acid
  229477.0283  0.0186 -5.1704 3  568.6499121  72503 303601447      601348        s-trans-Propenoic acid
  229494.3421  0.0058 -5.9907 3  158.8717 53  72503 30326 917      26 620        s-trans-Propenoic acid
  229561.5922  0.0746 -5.2475 3  642.8268125  72503 303622042      621943        s-trans-Propenoic acid
  229636.6834  0.0185 -5.7687 3  568.6446121  72503 303601447      601248        s-trans-Propenoic acid
  229664.6624  0.0045 -6.1519 3   89.8952 33  72503 30316 412      15 213        s-trans-Propenoic acid
  229709.6208  0.0051 -5.8564 3  173.3322 57  72503 30328 919      28 622        s-trans-Propenoic acid
  229797.4126  0.0146 -4.9148 3  388.4498 91  72503 303451827      451728        s-trans-Propenoic acid
  229804.4303  0.0146 -4.9148 3  388.4496 91  72503 303451828      451729        s-trans-Propenoic acid
  229811.5656  0.0297 -5.7878 3  527.0641113  72503 303561740      551837        s-trans-Propenoic acid
  229833.2406  0.1391 -6.2907 3  851.2791149  72503 303741856      741857        s-trans-Propenoic acid
  229879.8750  0.0356 -5.0770 3  527.0641111  72503 303551936      551837        s-trans-Propenoic acid
  229886.7096  0.0044 -6.0942 3  177.1601 57  72503 303281018      28 821        s-trans-Propenoic acid
  229913.7142  0.0032 -6.3188 3   82.8923 29  72503 30314 510      13 311        s-trans-Propenoic acid
  229927.2279  0.0040 -4.9801 3  138.6633 49  72503 30324 718      23 617        s-trans-Propenoic acid
  229931.1664  0.0017 -4.1806 3  213.5769 61  72503 303301417      291416        s-trans-Propenoic acid
  229931.2293  0.0017 -4.1806 3  213.5769 61  72503 303301416      291415        s-trans-Propenoic acid
  229958.0481  0.1244 -5.5099 3  809.2771143  72503 303712151      712052        s-trans-Propenoic acid
  230002.2563  0.0029 -4.7150 3   96.4257 27  72503 3031310 4      12 9 3        s-trans-Propenoic acid
  230002.2573  0.0029 -4.7150 3   96.4257 27  72503 3031310 3      12 9 4        s-trans-Propenoic acid
  230012.0905  0.0734 -5.2688 3  659.2828127  72503 303632044      631945        s-trans-Propenoic acid
  230039.8228  0.0038 -6.2648 3   85.3614 29  72503 30314 6 8      13 4 9        s-trans-Propenoic acid
  230096.4132  0.0043 -6.2426 3  149.7336 49  72503 303241015      24 816        s-trans-Propenoic acid
  230132.8248  0.0044 -5.1612 3  257.3889 83  72503 30341 338      41 239        s-trans-Propenoic acid
  230132.8248  0.0044 -5.5964 3  257.3889 83  72503 30341 338      41 339        s-trans-Propenoic acid
  230132.8253  0.0044 -5.5964 3  257.3889 83  72503 30341 438      41 239        s-trans-Propenoic acid
  230132.8253  0.0044 -5.1612 3  257.3889 83  72503 30341 438      41 339        s-trans-Propenoic acid
  230163.0038  0.0939 -6.1650 3  786.3214143  72503 303711754      711755        s-trans-Propenoic acid
  230166.8339  0.0043 -6.1196 3  169.8780 55  72503 303271017      27 820        s-trans-Propenoic acid
  230203.0612  0.0016 -4.0352 3  180.8300 61  72503 30330 624      29 623        s-trans-Propenoic acid
  230206.1700  0.0032 -5.4926 3  330.8176 93  72503 30346 640      46 641        s-trans-Propenoic acid
  230206.1807  0.0032 -5.0147 3  330.8176 93  72503 30346 640      46 541        s-trans-Propenoic acid
  230206.3911  0.0032 -5.0147 3  330.8176 93  72503 30346 740      46 641        s-trans-Propenoic acid
  230206.4019  0.0032 -5.4926 3  330.8176 93  72503 30346 740      46 541        s-trans-Propenoic acid
  230253.8638  0.0068 -6.3779 3  162.8689 55  72503 30327 819      27 622        s-trans-Propenoic acid
  230300.5669  0.0057 -6.1903 3  181.0198 59  72503 30329 920      29 723        s-trans-Propenoic acid
  230331.4108  0.0363 -5.8476 3  564.1539117  72503 303581841      571938        s-trans-Propenoic acid
  230345.0837  0.0596 -5.3946 3  724.0214137  72503 303681652      681553        s-trans-Propenoic acid
  230374.9557  0.0350 -5.0752 3  527.0454111  72503 303551937      551838        s-trans-Propenoic acid
  230456.2801  0.0063 -5.5474 3  215.8470 77  72503 30338 137      38 038        s-trans-Propenoic acid
  230456.2801  0.0063 -5.9567 3  215.8470 77  72503 30338 137      38 138        s-trans-Propenoic acid
  230456.2801  0.0063 -5.9567 3  215.8470 77  72503 30338 237      38 038        s-trans-Propenoic acid
  230456.2801  0.0063 -5.5474 3  215.8470 77  72503 30338 237      38 138        s-trans-Propenoic acid
  230468.5444  0.0025 -4.8076 3  173.3322 59  72503 30329 723      28 622        s-trans-Propenoic acid
  230471.7098  0.0431 -5.9145 3  602.7260121  72503 303601942      592039        s-trans-Propenoic acid
  230568.2426  0.0502 -5.9860 3  642.7750125  72503 303622043      612140        s-trans-Propenoic acid
  230625.4688  0.2387 -5.8380 3  989.0546161  72503 303802060      801961        s-trans-Propenoic acid
  230645.6281  0.0015 -4.1489 3  207.4865 61  72503 303301318      291317        s-trans-Propenoic acid
  230646.7378  0.0015 -4.1489 3  207.4865 61  72503 303301317      291316        s-trans-Propenoic acid
  230766.0536  0.0580 -6.0612 3  684.2975129  72503 303642144      632241        s-trans-Propenoic acid
  230773.0156  0.0134 -5.7011 3  530.8771117  72503 303581246      581247        s-trans-Propenoic acid
  230824.8017  0.0134 -5.1232 3  530.8754117  72503 303581246      581147        s-trans-Propenoic acid
  230831.2849  0.0046 -6.0760 3  184.6887 59  72503 303291019      29 822        s-trans-Propenoic acid
  230955.5949  0.0032 -4.9774 3  120.7275 43  72503 30321 715      20 614        s-trans-Propenoic acid
  230975.3895  0.1220 -5.6398 3  886.9905151  72503 303752155      752056        s-trans-Propenoic acid
  230997.6825  0.0140 -4.9019 3  376.8324 89  72503 303441826      441727        s-trans-Propenoic acid
  231001.0279  0.0140 -4.9019 3  376.8323 89  72503 303441827      441728        s-trans-Propenoic acid
  231003.9405  0.0587 -6.0603 3  684.2970129  72503 303642143      632242        s-trans-Propenoic acid
  231051.0116  0.0039 -4.9882 3  132.4026 47  72503 30323 717      22 616        s-trans-Propenoic acid
  231059.4905  0.0017 -4.0601 3  180.9945 59  72503 30329 920      28 919        s-trans-Propenoic acid
  231078.9547  0.0037 -6.5208 3   80.7193 29  72503 30314 411      13 212        s-trans-Propenoic acid
  231096.8148  0.0025 -4.7649 3   99.3685 31  72503 30315 9 7      14 8 6        s-trans-Propenoic acid
  231097.8671  0.0025 -4.7649 3   99.3685 31  72503 30315 9 6      14 8 7        s-trans-Propenoic acid
  231111.9800  0.0667 -6.1397 3  727.2909133  72503 303662245      652342        s-trans-Propenoic acid
  231118.5343  0.1081 -6.1246 3  678.6011131  72503 303651848      651649        s-trans-Propenoic acid
  231135.6275  0.0657 -5.9992 3  505.8667111  72503 303551640      551441        s-trans-Propenoic acid
  231149.1432  0.0517 -5.9838 3  642.7738125  72503 303622042      612141        s-trans-Propenoic acid
  231203.0407  0.6716 -6.4327 3 1321.3168187  72503 303932469      932370        s-trans-Propenoic acid
  231207.1789  0.0670 -6.1393 3  727.2907133  72503 303662244      652343        s-trans-Propenoic acid
  231221.5976  0.6508 -6.1266 3 1156.9981173  72503 303862561      862462        s-trans-Propenoic acid
  231241.7874  0.0132 -5.1217 3  530.8771117  72503 303581346      581247        s-trans-Propenoic acid
  231252.6077  0.0454 -6.0231 3  706.5236135  72503 303671751      671552        s-trans-Propenoic acid
  231286.0437  0.0041 -6.1510 3  162.8494 53  72503 303261016      26 819        s-trans-Propenoic acid
  231293.5735  0.0131 -5.6993 3  530.8754117  72503 303581346      581147        s-trans-Propenoic acid
  231349.6327  0.0037 -6.1479 3   80.7102 29  72503 30314 411      13 112        s-trans-Propenoic acid
  231398.1096  0.0162 -5.4501 3  328.8676 87  72503 303431231      421330        s-trans-Propenoic acid
  231528.3232  0.0036 -4.9862 3  126.4176 45  72503 30322 716      21 615        s-trans-Propenoic acid
  231561.1494  0.0023 -4.8306 3  103.8955 35  72503 30317 810      16 7 9        s-trans-Propenoic acid
  231570.6823  0.0031 -5.4979 3  360.9410 97  72503 30348 741      48 742        s-trans-Propenoic acid
  231570.7394  0.0031 -5.0054 3  360.9410 97  72503 30348 741      48 642        s-trans-Propenoic acid
  231571.6767  0.0031 -5.0054 3  360.9410 97  72503 30348 841      48 742        s-trans-Propenoic acid
  231571.7337  0.0031 -5.4979 3  360.9410 97  72503 30348 841      48 642        s-trans-Propenoic acid
  231575.7693  0.0014 -4.1192 3  201.9032 61  72503 303301219      291218        s-trans-Propenoic acid
  231591.3731  0.0014 -4.1191 3  201.9036 61  72503 303301218      291217        s-trans-Propenoic acid
  231596.7642  0.0924 -5.5955 3  859.4683149  72503 303742055      741956        s-trans-Propenoic acid
  231608.6201  0.0762 -6.2211 3  771.7531137  72503 303682346      672443        s-trans-Propenoic acid
  231645.9641  0.0764 -6.2210 3  771.7531137  72503 303682345      672444        s-trans-Propenoic acid
  231695.1401  0.1214 -5.4738 3  790.4941141  72503 303702150      702051        s-trans-Propenoic acid
  231754.7889  0.0023 -4.8300 3  103.8899 35  72503 30317 8 9      16 710        s-trans-Propenoic acid
  231829.6783  0.0625 -6.1211 3  749.7160139  72503 303691852      691653        s-trans-Propenoic acid
  231852.2888  0.0460 -5.9090 3  602.7230121  72503 303601941      592040        s-trans-Propenoic acid
  231866.2728  0.0160 -5.7208 3  471.0937107  72503 303531539      521636        s-trans-Propenoic acid
  231921.9517  0.0739 -5.5208 3  813.1339145  72503 303721954      721855        s-trans-Propenoic acid
  231923.2498  0.3213 -5.7441 3  943.9623155  72503 303772354      772255        s-trans-Propenoic acid
  232006.5623  0.0353 -5.2949 3  664.5045131  72503 303651650      651551        s-trans-Propenoic acid
  232048.0329  0.0855 -5.4895 3  786.2585143  72503 303711754      711655        s-trans-Propenoic acid
  232099.9748  0.0136 -4.8904 3  365.4885 87  72503 303431825      431726        s-trans-Propenoic acid
  232101.5316  0.0136 -4.8904 3  365.4885 87  72503 303431826      431727        s-trans-Propenoic acid
  232230.2171  0.0322 -5.0515 3  512.6999109  72503 303541935      541836        s-trans-Propenoic acid
  232241.9426  0.0869 -6.3055 3  817.6825141  72503 303702447      692544        s-trans-Propenoic acid
  232248.5489  0.0091 -5.6396 3  494.3502113  72503 303561145      561146        s-trans-Propenoic acid
  232256.3369  0.0870 -6.3055 3  817.6824141  72503 303702446      692545        s-trans-Propenoic acid
  232263.4524  0.0015 -4.7481 3  188.6264 63  72503 30331 625      30 724        s-trans-Propenoic acid
  232263.9121  0.0065 -5.9926 3  162.8019 55  72503 30327 819      27 522        s-trans-Propenoic acid
  232264.2182  0.0091 -5.0812 3  494.3496113  72503 303561145      561046        s-trans-Propenoic acid
  232274.3779  0.1721 -5.7113 3  918.7846155  72503 303771958      771859        s-trans-Propenoic acid
  232408.1637  0.0090 -5.0806 3  494.3502113  72503 303561245      561146        s-trans-Propenoic acid
  232423.8329  0.0090 -5.6390 3  494.3496113  72503 303561245      561046        s-trans-Propenoic acid
  232505.4916  0.0320 -5.0505 3  512.6896109  72503 303541936      541837        s-trans-Propenoic acid
  232512.1857  0.0033 -5.5167 3  392.3662101  72503 30350 842      50 843        s-trans-Propenoic acid
  232512.4543  0.0033 -5.0090 3  392.3662101  72503 30350 842      50 743        s-trans-Propenoic acid
  232516.2125  0.0033 -5.0090 3  392.3662101  72503 30350 942      50 843        s-trans-Propenoic acid
  232516.4811  0.0033 -5.5167 3  392.3662101  72503 30350 942      50 743        s-trans-Propenoic acid
  232574.4848  0.0288 -5.8522 3  623.6313127  72503 303631449      631450        s-trans-Propenoic acid
  232619.0247  0.0037 -6.1424 3   89.1517 31  72503 30315 6 9      14 410        s-trans-Propenoic acid
  232620.1571  0.0038 -5.5320 3  284.1725 87  72503 30343 439      43 440        s-trans-Propenoic acid
  232620.1572  0.0038 -5.0838 3  284.1725 87  72503 30343 439      43 340        s-trans-Propenoic acid
  232620.1607  0.0038 -5.0838 3  284.1725 87  72503 30343 539      43 440        s-trans-Propenoic acid
  232620.1608  0.0038 -5.5320 3  284.1725 87  72503 30343 539      43 340        s-trans-Propenoic acid
  232719.9297  0.0680 -5.2360 3  642.7032125  72503 303622043      621944        s-trans-Propenoic acid
  232727.5605  0.1219 -5.5951 3  851.1826149  72503 303741856      741757        s-trans-Propenoic acid
  232759.8292  0.0350 -5.9301 3  664.4794131  72503 303651650      651451        s-trans-Propenoic acid
  232792.1558  0.0014 -4.0911 3  196.8460 61  72503 303301120      291119        s-trans-Propenoic acid
  232845.9191  0.0285 -5.2386 3  623.6223127  72503 303631449      631350        s-trans-Propenoic acid
  232867.5398  0.0014 -4.0380 3  184.6887 61  72503 30330 823      29 822        s-trans-Propenoic acid
  232926.2913  0.0039 -6.1878 3  156.0808 51  72503 303251015      25 818        s-trans-Propenoic acid
  232930.6916  0.0060 -5.5884 3  459.0816109  72503 303541044      541045        s-trans-Propenoic acid
  232935.0912  0.0060 -5.0479 3  459.0814109  72503 303541044      54 945        s-trans-Propenoic acid
  232961.3777  0.0014 -4.0905 3  196.8515 61  72503 303301119      291118        s-trans-Propenoic acid
  232981.3021  0.0060 -5.0477 3  459.0816109  72503 303541144      541045        s-trans-Propenoic acid
  232985.7017  0.0060 -5.5882 3  459.0814109  72503 303541144      54 945        s-trans-Propenoic acid
  232986.3218  0.0041 -5.5473 3  425.0832105  72503 30352 943      52 944        s-trans-Propenoic acid
  232987.4599  0.0041 -5.0236 3  425.0832105  72503 30352 943      52 844        s-trans-Propenoic acid
  232993.8063  0.0987 -6.3929 3  865.0773145  72503 303722548      712645        s-trans-Propenoic acid
  232999.2688  0.0987 -6.3929 3  865.0772145  72503 303722547      712646        s-trans-Propenoic acid
  233001.1985  0.0041 -5.0235 3  425.0832105  72503 303521043      52 944        s-trans-Propenoic acid
  233002.3366  0.0041 -5.5472 3  425.0832105  72503 303521043      52 844        s-trans-Propenoic acid
  233030.9890  0.1235 -5.3861 3  736.0663135  72503 303672146      672047        s-trans-Propenoic acid
  233112.8455  0.0134 -4.8803 3  354.4170 85  72503 303421824      421725        s-trans-Propenoic acid
  233113.5521  0.0134 -4.8802 3  354.4170 85  72503 303421825      421726        s-trans-Propenoic acid
  233453.5911  0.0049 -6.0670 3  192.4563 61  72503 303301020      30 823        s-trans-Propenoic acid
  233487.1754  0.0664 -5.2110 3  626.4871123  72503 303612041      611942        s-trans-Propenoic acid
  233494.5809  0.0018 -3.9447 3  200.0623 75  72503 30337 037      36 036        s-trans-Propenoic acid
  233494.5809  0.0018 -4.3352 3  200.0623 75  72503 30337 037      36 136        s-trans-Propenoic acid
  233494.5809  0.0018 -4.3352 3  200.0623 75  72503 30337 137      36 036        s-trans-Propenoic acid
  233494.5809  0.0018 -3.9447 3  200.0623 75  72503 30337 137      36 136        s-trans-Propenoic acid
  233495.4288  0.0016 -3.9604 3  199.5459 73  72503 30336 135      35 134        s-trans-Propenoic acid
  233495.4288  0.0016 -4.3785 3  199.5459 73  72503 30336 135      35 234        s-trans-Propenoic acid
  233495.4288  0.0016 -4.3785 3  199.5459 73  72503 30336 235      35 134        s-trans-Propenoic acid
  233495.4288  0.0016 -3.9604 3  199.5459 73  72503 30336 235      35 234        s-trans-Propenoic acid
  233506.6646  0.0418 -5.8350 3  564.1463117  72503 303581840      571939        s-trans-Propenoic acid
  233513.9856  0.0015 -4.4263 3  198.5076 71  72503 30335 233      34 332        s-trans-Propenoic acid
  233513.9867  0.0015 -3.9752 3  198.5076 71  72503 30335 333      34 332        s-trans-Propenoic acid
  233513.9880  0.0015 -3.9752 3  198.5076 71  72503 30335 233      34 232        s-trans-Propenoic acid
  233513.9892  0.0015 -4.4263 3  198.5076 71  72503 30335 333      34 232        s-trans-Propenoic acid
  233564.9232  0.0053 -5.2881 3  240.5640 81  72503 30340 238      40 139        s-trans-Propenoic acid
  233564.9232  0.0053 -5.7097 3  240.5640 81  72503 30340 238      40 239        s-trans-Propenoic acid
  233564.9232  0.0053 -5.7097 3  240.5640 81  72503 30340 338      40 139        s-trans-Propenoic acid
  233564.9232  0.0053 -5.2881 3  240.5640 81  72503 30340 338      40 239        s-trans-Propenoic acid
  233576.3251  0.0014 -4.4804 3  196.9300 69  72503 30334 331      33 430        s-trans-Propenoic acid
  233576.4099  0.0014 -3.9891 3  196.9300 69  72503 30334 431      33 430        s-trans-Propenoic acid
  233576.4988  0.0014 -3.9891 3  196.9300 69  72503 30334 331      33 330        s-trans-Propenoic acid
  233576.5837  0.0014 -4.4804 3  196.9300 69  72503 30334 431      33 330        s-trans-Propenoic acid
  233694.8943  0.0033 -6.0637 3   82.7662 29  72503 30314 510      13 211        s-trans-Propenoic acid
  233729.9799  0.0021 -4.7654 3  180.8300 61  72503 30330 724      29 623        s-trans-Propenoic acid
  233730.1975  0.0014 -4.5442 3  194.7860 67  72503 30333 429      32 528        s-trans-Propenoic acid
  233732.9047  0.1207 -5.6673 3  907.0173153  72503 303762156      762057        s-trans-Propenoic acid
  233734.1252  0.0014 -4.0016 3  194.7860 67  72503 30333 529      32 528        s-trans-Propenoic acid
  233737.8377  0.0014 -4.0016 3  194.7858 67  72503 30333 429      32 428        s-trans-Propenoic acid
  233741.7654  0.0014 -4.5441 3  194.7858 67  72503 30333 529      32 428        s-trans-Propenoic acid
  233846.8989  0.1117 -6.4833 3  913.9360149  72503 303742649      732746        s-trans-Propenoic acid
  233848.9432  0.1117 -6.4833 3  913.9360149  72503 303742648      732747        s-trans-Propenoic acid
  233881.2944  0.0600 -5.4456 3  767.9991141  72503 303701853      701754        s-trans-Propenoic acid
  233925.7012  0.1169 -5.4372 3  771.9861139  72503 303692149      692050        s-trans-Propenoic acid
  233952.3457  0.0014 -4.6244 3  192.0329 65  72503 30332 527      31 626        s-trans-Propenoic acid
  234013.0862  0.2013 -5.5513 3  836.4311145  72503 303722250      722151        s-trans-Propenoic acid
  234043.6993  0.0133 -4.8715 3  343.6165 83  72503 303411823      411724        s-trans-Propenoic acid
  234044.0119  0.0133 -4.8715 3  343.6165 83  72503 303411824      411725        s-trans-Propenoic acid
  234068.3538  0.0100 -5.5950 3  383.2151 63  72503 3033130 1      3030 0        s-trans-Propenoic acid
  234068.3538  0.0100 -5.5950 3  383.2151 63  72503 3033130 2      3030 1        s-trans-Propenoic acid
  234068.7685  0.0014 -4.0124 3  192.0329 65  72503 30332 627      31 626        s-trans-Propenoic acid
  234155.8968  0.0093 -5.2725 3  369.5908 63  72503 3033129 2      3029 1        s-trans-Propenoic acid
  234155.8968  0.0093 -5.2725 3  369.5908 63  72503 3033129 3      3029 2        s-trans-Propenoic acid
  234164.4839  0.0014 -4.0120 3  192.0258 65  72503 30332 527      31 526        s-trans-Propenoic acid
  234166.2737  0.0014 -4.0652 3  192.3349 61  72503 303301021      291020        s-trans-Propenoic acid
  234209.9256  0.0039 -6.2841 3  143.4284 47  72503 303231014      23 815        s-trans-Propenoic acid
  234250.2144  0.0086 -5.0759 3  356.4299 63  72503 3033128 3      3028 2        s-trans-Propenoic acid
  234250.2144  0.0086 -5.0759 3  356.4299 63  72503 3033128 4      3028 3        s-trans-Propenoic acid
  234280.9068  0.0015 -4.6231 3  192.0258 65  72503 30332 627      31 526        s-trans-Propenoic acid
  234338.1675  0.0294 -5.0277 3  498.6244107  72503 303531934      531835        s-trans-Propenoic acid
  234352.4419  0.0079 -4.9316 3  343.7327 63  72503 3033127 4      3027 3        s-trans-Propenoic acid
  234352.4419  0.0079 -4.9316 3  343.7327 63  72503 3033127 5      3027 4        s-trans-Propenoic acid
  234392.8875  0.0015 -4.0217 3  188.6264 63  72503 30331 725      30 724        s-trans-Propenoic acid
  234416.3980  0.0023 -4.9417 3  110.0457 39  72503 30319 712      18 613        s-trans-Propenoic acid
  234451.0070  0.0305 -5.6338 3  443.9031103  72503 303511536      501635        s-trans-Propenoic acid
  234463.9416  0.0072 -4.8163 3  331.4995 63  72503 3033126 5      3026 4        s-trans-Propenoic acid
  234463.9416  0.0072 -4.8163 3  331.4995 63  72503 3033126 6      3026 5        s-trans-Propenoic acid
  234488.0969  0.0292 -5.0271 3  498.6188107  72503 303531935      531836        s-trans-Propenoic acid
  234540.7103  0.0064 -6.1000 3  151.9209 51  72503 30325 916      25 619        s-trans-Propenoic acid
  234544.2263  0.0015 -4.0210 3  175.9470 59  72503 30329 722      28 721        s-trans-Propenoic acid
  234586.3610  0.0066 -4.7199 3  319.7310 63  72503 3033125 6      3025 5        s-trans-Propenoic acid
  234586.3610  0.0066 -4.7199 3  319.7310 63  72503 3033125 7      3025 6        s-trans-Propenoic acid
  234613.1586  0.0267 -5.2323 3  623.6313127  72503 303631549      631450        s-trans-Propenoic acid
  234721.7080  0.0060 -4.6367 3  308.4276 63  72503 3033124 7      3024 6        s-trans-Propenoic acid
  234721.7080  0.0060 -4.6367 3  308.4276 63  72503 3033124 8      3024 7        s-trans-Propenoic acid
  234756.7576  0.0014 -4.0452 3  188.3436 61  72503 30330 922      29 921        s-trans-Propenoic acid
  234778.4084  0.0035 -5.4997 3  312.2871 91  72503 30345 540      45 541        s-trans-Propenoic acid
  234778.4092  0.0035 -5.0381 3  312.2871 91  72503 30345 540      45 441        s-trans-Propenoic acid
  234778.4300  0.0035 -5.0381 3  312.2871 91  72503 30345 640      45 541        s-trans-Propenoic acid
  234778.4309  0.0035 -5.4997 3  312.2871 91  72503 30345 640      45 441        s-trans-Propenoic acid
  234835.3344  0.0038 -6.2296 3  149.5770 49  72503 303241014      24 817        s-trans-Propenoic acid
  234872.4524  0.0054 -4.5636 3  297.5900 63  72503 3033123 8      3023 7        s-trans-Propenoic acid
  234872.4524  0.0054 -4.5636 3  297.5900 63  72503 3033123 9      3023 8        s-trans-Propenoic acid
  234884.5929  0.0266 -5.8442 3  623.6223127  72503 303631549      631350        s-trans-Propenoic acid
  234899.0523  0.0132 -4.8642 3  333.0858 81  72503 303401822      401723        s-trans-Propenoic acid
  234899.1869  0.0132 -4.8642 3  333.0858 81  72503 303401823      401724        s-trans-Propenoic acid
  235041.6625  0.0049 -4.4983 3  287.2189 63  72503 3033122 9      3022 8        s-trans-Propenoic acid
  235041.6625  0.0049 -4.4983 3  287.2189 63  72503 303312210      3022 9        s-trans-Propenoic acid
  235209.4971  0.0032 -5.1712 3  107.5001 39  72503 30319 613      18 514        s-trans-Propenoic acid
  235233.1928  0.0044 -4.4395 3  277.3155 63  72503 303312110      3021 9        s-trans-Propenoic acid
  235233.1928  0.0044 -4.4395 3  277.3155 63  72503 303312111      302110        s-trans-Propenoic acid
  235289.3127  0.0036 -6.0167 3   93.2222 33  72503 30316 610      15 411        s-trans-Propenoic acid
  235390.3543  0.0627 -5.2042 3  626.4134123  72503 303612042      611943        s-trans-Propenoic acid
  235426.7252  0.0430 -5.9680 3  429.8803101  72503 303501536      501337        s-trans-Propenoic acid
  235451.9482  0.0039 -4.3861 3  267.8809 63  72503 303312011      302010        s-trans-Propenoic acid
  235451.9482  0.0039 -4.3861 3  267.8809 63  72503 303312012      302011        s-trans-Propenoic acid
  235489.8460  0.0015 -4.0604 3  192.3884 61  72503 303301020      291019        s-trans-Propenoic acid
  235569.7744  0.0363 -5.9713 3  529.3501115  72503 303571543      561640        s-trans-Propenoic acid
  235600.7663  0.8477 -6.3012 3 1259.8934181  72503 303902664      902565        s-trans-Propenoic acid
  235684.7111  0.0133 -4.8583 3  322.8239 79  72503 303391821      391722        s-trans-Propenoic acid
  235684.7674  0.0133 -4.8583 3  322.8239 79  72503 303391822      391723        s-trans-Propenoic acid
  235704.2617  0.0034 -4.3373 3  258.9165 63  72503 303311912      301911        s-trans-Propenoic acid
  235704.2617  0.0034 -4.3373 3  258.9165 63  72503 303311913      301912        s-trans-Propenoic acid
  235790.3711  0.0016 -4.0160 3  188.5088 63  72503 30331 625      30 624        s-trans-Propenoic acid
  235826.0066  0.0094 -5.2635 3  266.7145 77  72503 303381028      371127        s-trans-Propenoic acid
  235877.1452  0.0035 -6.3875 3   81.5599 27  72503 30313 6 8      12 4 9        s-trans-Propenoic acid
  235990.9744  0.0056 -5.8404 3  180.8300 59  72503 30329 920      29 623        s-trans-Propenoic acid
  235998.4511  0.0030 -4.2926 3  250.4245 63  72503 303311813      301812        s-trans-Propenoic acid
  235998.4511  0.0030 -4.2926 3  250.4245 63  72503 303311814      301813        s-trans-Propenoic acid
  236007.2101  0.0200 -5.7695 3  583.9816123  72503 303611348      611349        s-trans-Propenoic acid
  236016.1382  0.5383 -6.2700 3 1239.5824181  72503 303902367      902268        s-trans-Propenoic acid
  236042.7792  0.0065 -6.0764 3  196.7376 61  72503 303301120      30 921        s-trans-Propenoic acid
  236099.0646  0.0200 -5.1784 3  583.9786123  72503 303611348      611249        s-trans-Propenoic acid
  236246.0741  0.0269 -5.0054 3  484.8343105  72503 303521933      521834        s-trans-Propenoic acid
  236326.0748  0.0268 -5.0052 3  484.8314105  72503 303521934      521835        s-trans-Propenoic acid
  236326.4674  0.0037 -4.6487 3   97.7795 25  72503 3031211 1      1110 2        s-trans-Propenoic acid
  236326.4674  0.0037 -4.6487 3   97.7795 25  72503 3031211 2      1110 1        s-trans-Propenoic acid
  236328.2728  0.0416 -5.9412 3  681.3274133  72503 303661551      661552        s-trans-Propenoic acid
  236345.6655  0.0026 -4.2514 3  242.4073 63  72503 303311714      301713        s-trans-Propenoic acid
  236345.6655  0.0026 -4.2514 3  242.4073 63  72503 303311715      301714        s-trans-Propenoic acid
  236383.4918  0.0045 -5.1573 3  266.6303 85  72503 30342 339      42 240        s-trans-Propenoic acid
  236383.4918  0.0045 -5.5914 3  266.6303 85  72503 30342 339      42 340        s-trans-Propenoic acid
  236383.4921  0.0045 -5.5914 3  266.6303 85  72503 30342 439      42 240        s-trans-Propenoic acid
  236383.4921  0.0045 -5.1573 3  266.6303 85  72503 30342 439      42 340        s-trans-Propenoic acid
  236405.9011  0.0134 -4.8539 3  312.8297 77  72503 303381820      381721        s-trans-Propenoic acid
  236405.9240  0.0134 -4.8539 3  312.8297 77  72503 303381821      381722        s-trans-Propenoic acid
  236490.9197  0.1111 -5.4005 3  753.7592137  72503 303682148      682049        s-trans-Propenoic acid
  236587.6432  0.0033 -5.4893 3  341.7237 95  72503 30347 641      47 642        s-trans-Propenoic acid
  236587.6484  0.0033 -5.0139 3  341.7237 95  72503 30347 641      47 542        s-trans-Propenoic acid
  236587.7558  0.0033 -5.0139 3  341.7237 95  72503 30347 741      47 642        s-trans-Propenoic acid
  236587.7611  0.0033 -5.4893 3  341.7237 95  72503 30347 741      47 542        s-trans-Propenoic acid
  236629.3919  0.0479 -5.3725 3  724.0615137  72503 303681752      681653        s-trans-Propenoic acid
  236677.6312  0.0065 -5.5416 3  224.0506 79  72503 30339 138      39 039        s-trans-Propenoic acid
  236677.6312  0.0065 -5.9504 3  224.0506 79  72503 30339 138      39 139        s-trans-Propenoic acid
  236677.6312  0.0065 -5.9504 3  224.0506 79  72503 30339 238      39 039        s-trans-Propenoic acid
  236677.6312  0.0065 -5.5416 3  224.0506 79  72503 30339 238      39 139        s-trans-Propenoic acid
  236689.9204  0.0017 -4.0207 3  178.1346 59  72503 30329 821      28 820        s-trans-Propenoic acid
  236761.2234  0.0023 -4.2134 3  234.8685 63  72503 303311616      301615        s-trans-Propenoic acid
  236761.2238  0.0023 -4.2134 3  234.8685 63  72503 303311615      301614        s-trans-Propenoic acid
  236778.3381  0.0407 -5.3129 3  681.3124133  72503 303661551      661452        s-trans-Propenoic acid
  236781.1487  0.0195 -5.1760 3  583.9816123  72503 303611448      611349        s-trans-Propenoic acid
  236818.8181  0.0394 -5.7594 3  527.0454113  72503 303561739      551838        s-trans-Propenoic acid
  236823.5242  0.0037 -6.2767 3  143.3418 47  72503 303231013      23 816        s-trans-Propenoic acid
  236846.5011  0.0596 -5.1775 3  610.4567121  72503 303602040      601941        s-trans-Propenoic acid
  236873.0033  0.0195 -5.7665 3  583.9786123  72503 303611448      611249        s-trans-Propenoic acid
  236911.4072  0.0621 -6.1211 3  767.8980141  72503 303701853      701654        s-trans-Propenoic acid
  236954.6616  0.1031 -6.2217 3  793.9988143  72503 303711953      711754        s-trans-Propenoic acid
  236989.0326  0.0958 -5.6155 3  879.0854151  72503 303752056      751957        s-trans-Propenoic acid
  237067.3610  0.0135 -4.8510 3  303.1023 75  72503 303371819      371720        s-trans-Propenoic acid
  237067.3700  0.0135 -4.8510 3  303.1023 75  72503 303371820      371721        s-trans-Propenoic acid
  237266.8341  0.0020 -4.1781 3  227.8127 63  72503 303311517      301516        s-trans-Propenoic acid
  237266.8421  0.0020 -4.1781 3  227.8127 63  72503 303311516      301515        s-trans-Propenoic acid
  237284.6166  0.1221 -6.2193 3  775.2530141  72503 303701952      701753        s-trans-Propenoic acid
  237303.1780  0.0155 -5.7466 3  485.1395109  72503 303541540      531637        s-trans-Propenoic acid
  237387.3251  0.0037 -6.3332 3  137.4230 45  72503 303221013      22 814        s-trans-Propenoic acid
  237438.0807  0.0024 -4.8568 3  200.4556 65  72503 30332 725      31 824        s-trans-Propenoic acid
  237499.7180  0.0046 -6.1100 3   83.9395 31  72503 30315 312      14 213        s-trans-Propenoic acid
  237534.8447  0.1210 -5.6929 3  927.2655155  72503 303772157      772058        s-trans-Propenoic acid
  237535.8224  0.0028 -4.6942 3   99.7179 29  72503 3031410 5      13 9 4        s-trans-Propenoic acid
  237535.8281  0.0028 -4.6942 3   99.7179 29  72503 3031410 4      13 9 5        s-trans-Propenoic acid
  237621.4057  0.0077 -6.2343 3  145.9777 51  72503 30325 718      25 421        s-trans-Propenoic acid
  237640.2081  0.0046 -6.4928 3   83.9348 31  72503 30315 312      14 113        s-trans-Propenoic acid
  237673.4146  0.0137 -4.8498 3  293.6407 73  72503 303361818      361719        s-trans-Propenoic acid
  237673.4180  0.0137 -4.8498 3  293.6407 73  72503 303361819      361720        s-trans-Propenoic acid
  237679.8246  0.4371 -5.8905 3 1036.5514163  72503 303812457      812358        s-trans-Propenoic acid
  237729.9881  0.0236 -5.7328 3  505.6467111  72503 303551640      541737        s-trans-Propenoic acid
  237833.4477  0.0477 -6.0219 3  724.0214137  72503 303681752      681553        s-trans-Propenoic acid
  237894.4841  0.0017 -4.1454 3  221.2466 63  72503 303311418      301417        s-trans-Propenoic acid
  237894.6419  0.0017 -4.1454 3  221.2466 63  72503 303311417      301416        s-trans-Propenoic acid
  237919.8062  0.0018 -4.7253 3  188.5088 63  72503 30331 725      30 624        s-trans-Propenoic acid
  237968.3380  0.0576 -5.1735 3  610.4137121  72503 303602041      601942        s-trans-Propenoic acid
  237984.4945  0.0247 -4.9847 3  471.3270103  72503 303511932      511833        s-trans-Propenoic acid
  237999.9857  0.1658 -5.7013 3  935.1888155  72503 303772256      772157        s-trans-Propenoic acid
  238023.5416  0.0032 -5.4953 3  372.4731 99  72503 30349 742      49 743        s-trans-Propenoic acid
  238023.5703  0.0032 -5.0058 3  372.4731 99  72503 30349 742      49 643        s-trans-Propenoic acid
  238024.0598  0.0032 -5.0058 3  372.4731 99  72503 30349 842      49 743        s-trans-Propenoic acid
  238024.0886  0.0032 -5.4953 3  372.4731 99  72503 30349 842      49 643        s-trans-Propenoic acid
  238026.3136  0.0247 -4.9845 3  471.3255103  72503 303511933      511834        s-trans-Propenoic acid
  238081.7131  0.1675 -5.6656 3  914.8138153  72503 303762255      762156        s-trans-Propenoic acid
  238096.3795  0.0139 -5.6986 3  545.5684119  72503 303591247      591248        s-trans-Propenoic acid
  238125.5048  0.0139 -5.1276 3  545.5674119  72503 303591247      591148        s-trans-Propenoic acid
  238191.7485  0.1089 -5.3420 3  718.3194133  72503 303662145      662046        s-trans-Propenoic acid
  238228.0284  0.0139 -4.8503 3  284.4441 71  72503 303351817      351718        s-trans-Propenoic acid
  238228.0297  0.0139 -4.8503 3  284.4441 71  72503 303351818      351719        s-trans-Propenoic acid
  238267.0013  0.0053 -6.0695 3  200.4556 63  72503 303311021      31 824        s-trans-Propenoic acid
  238371.3251  0.0137 -5.1267 3  545.5684119  72503 303591347      591248        s-trans-Propenoic acid
  238400.4504  0.0137 -5.6976 3  545.5674119  72503 303591347      591148        s-trans-Propenoic acid
  238410.8158  0.1252 -6.1256 3  661.1842129  72503 303641847      641648        s-trans-Propenoic acid
  238470.8409  0.0782 -5.5364 3  832.1065147  72503 303731955      731856        s-trans-Propenoic acid
  238547.1880  0.0024 -4.7455 3  103.1891 33  72503 30316 9 8      15 8 7        s-trans-Propenoic acid
  238550.6104  0.0024 -4.7455 3  103.1890 33  72503 30316 9 7      15 8 8        s-trans-Propenoic acid
  238615.2776  0.0023 -4.8171 3  108.2735 37  72503 30318 811      17 710        s-trans-Propenoic acid
  238635.1314  0.0221 -5.4916 3  368.9179 93  72503 303461333      451432        s-trans-Propenoic acid
  238693.1819  0.0015 -4.1148 3  215.1800 63  72503 303311319      301318        s-trans-Propenoic acid
  238695.7294  0.0015 -4.1148 3  215.1800 63  72503 303311318      301317        s-trans-Propenoic acid
  238734.8574  0.0142 -4.8526 3  275.5116 69  72503 303341816      341717        s-trans-Propenoic acid
  238734.8579  0.0142 -4.8526 3  275.5116 69  72503 303341817      341718        s-trans-Propenoic acid
  238758.2815  0.0036 -6.3292 3  137.3775 45  72503 303221012      22 815        s-trans-Propenoic acid
  238844.1468  0.0033 -5.8939 3   97.5560 35  72503 30317 611      16 412        s-trans-Propenoic acid
  238899.1256  0.0039 -5.0813 3  294.0371 89  72503 30344 440      44 341        s-trans-Propenoic acid
  238899.1256  0.0039 -5.5281 3  294.0371 89  72503 30344 440      44 441        s-trans-Propenoic acid
  238899.1273  0.0039 -5.0813 3  294.0371 89  72503 30344 540      44 441        s-trans-Propenoic acid
  238899.1274  0.0039 -5.5281 3  294.0371 89  72503 30344 540      44 341        s-trans-Propenoic acid
  238900.4059  0.1629 -5.7351 3  955.8102157  72503 303782257      782158        s-trans-Propenoic acid
  239027.1810  0.1671 -5.6284 3  894.6950151  72503 303752254      752155        s-trans-Propenoic acid
  239055.9095  0.0034 -5.5148 3  404.5258103  72503 30351 843      51 844        s-trans-Propenoic acid
  239056.0479  0.0034 -5.0105 3  404.5258103  72503 30351 843      51 744        s-trans-Propenoic acid
  239058.0571  0.0034 -5.0105 3  404.5258103  72503 30351 943      51 844        s-trans-Propenoic acid
  239058.1955  0.0034 -5.5148 3  404.5258103  72503 30351 943      51 744        s-trans-Propenoic acid
  239064.9946  0.0023 -4.8158 3  108.2606 37  72503 30318 810      17 711        s-trans-Propenoic acid
  239069.3536  0.0908 -6.2240 3  812.8955145  72503 303721954      721755        s-trans-Propenoic acid
  239197.2830  0.0144 -4.8569 3  266.8424 67  72503 303331815      331716        s-trans-Propenoic acid
  239197.2832  0.0144 -4.8569 3  266.8424 67  72503 303331816      331717        s-trans-Propenoic acid
  239219.7725  0.0046 -5.4783 3  100.4776 37  72503 30318 513      17 414        s-trans-Propenoic acid
  239249.0942  0.1046 -5.3641 3  735.8181135  72503 303672147      672048        s-trans-Propenoic acid
  239266.8250  0.0094 -5.6380 3  508.4045115  72503 303571146      571147        s-trans-Propenoic acid
  239275.4448  0.0094 -5.0852 3  508.4042115  72503 303571146      571047        s-trans-Propenoic acid
  239334.4329  0.0598 -6.0408 3  741.7327139  72503 303691653      691654        s-trans-Propenoic acid
  239358.1456  0.0094 -5.0850 3  508.4045115  72503 303571246      571147        s-trans-Propenoic acid
  239366.7654  0.0094 -5.6376 3  508.4042115  72503 303571246      571047        s-trans-Propenoic acid
  239408.0681  0.0015 -4.7008 3  196.4449 65  72503 30332 626      31 725        s-trans-Propenoic acid
  239490.4597  0.0372 -5.3034 3  681.3274133  72503 303661651      661552        s-trans-Propenoic acid
  239576.0285  0.0229 -4.9653 3  458.1004101  72503 303501931      501832        s-trans-Propenoic acid
  239597.4404  0.0229 -4.9653 3  458.0996101  72503 303501932      501833        s-trans-Propenoic acid
  239618.4448  0.0147 -4.8632 3  258.4358 65  72503 303321814      321715        s-trans-Propenoic acid
  239618.4449  0.0147 -4.8632 3  258.4358 65  72503 303321815      321716        s-trans-Propenoic acid
  239646.0909  0.0043 -5.5457 3  437.8721107  72503 30353 944      53 945        s-trans-Propenoic acid
  239646.6903  0.0043 -5.0261 3  437.8721107  72503 30353 944      53 845        s-trans-Propenoic acid
  239654.2101  0.0043 -5.0261 3  437.8721107  72503 303531044      53 945        s-trans-Propenoic acid
  239654.8095  0.0043 -5.5457 3  437.8721107  72503 303531044      53 845        s-trans-Propenoic acid
  239690.1201  1.0873 -6.4875 3 1367.3770189  72503 303942767      942668        s-trans-Propenoic acid
  239716.8405  0.0019 -3.9267 3  207.8509 77  72503 30338 038      37 037        s-trans-Propenoic acid
  239716.8405  0.0019 -4.3169 3  207.8509 77  72503 30338 038      37 137        s-trans-Propenoic acid
  239716.8405  0.0019 -4.3169 3  207.8509 77  72503 30338 138      37 037        s-trans-Propenoic acid
  239716.8405  0.0019 -3.9267 3  207.8509 77  72503 30338 138      37 137        s-trans-Propenoic acid
  239717.2967  0.0016 -3.9419 3  207.3344 75  72503 30337 136      36 135        s-trans-Propenoic acid
  239717.2967  0.0016 -4.3588 3  207.3344 75  72503 30337 136      36 235        s-trans-Propenoic acid
  239717.2967  0.0016 -4.3588 3  207.3344 75  72503 30337 236      36 135        s-trans-Propenoic acid
  239717.2967  0.0016 -3.9419 3  207.3344 75  72503 30337 236      36 235        s-trans-Propenoic acid
  239734.1385  0.0015 -4.4050 3  206.2968 73  72503 30336 234      35 333        s-trans-Propenoic acid
  239734.1391  0.0015 -3.9563 3  206.2968 73  72503 30336 334      35 333        s-trans-Propenoic acid
  239734.1397  0.0015 -3.9563 3  206.2968 73  72503 30336 234      35 233        s-trans-Propenoic acid
  239734.1402  0.0015 -4.4050 3  206.2968 73  72503 30336 334      35 233        s-trans-Propenoic acid
  239735.2448  0.0014 -4.0860 3  209.6277 63  72503 303311220      301219        s-trans-Propenoic acid
  239741.8990  0.0062 -5.5870 3  472.5019111  72503 303551045      551046        s-trans-Propenoic acid
  239744.2671  0.0062 -5.0513 3  472.5018111  72503 303551045      55 946        s-trans-Propenoic acid
  239761.3899  0.0239 -5.8683 3  514.2563113  72503 303561542      551639        s-trans-Propenoic acid
  239767.9162  0.0014 -4.0859 3  209.6287 63  72503 303311219      301218        s-trans-Propenoic acid
  239770.1718  0.0062 -5.0512 3  472.5019111  72503 303551145      551046        s-trans-Propenoic acid
  239772.3319  0.0539 -5.1465 3  594.7280119  72503 303592039      591940        s-trans-Propenoic acid
  239772.5399  0.0062 -5.5869 3  472.5018111  72503 303551145      55 946        s-trans-Propenoic acid
  239791.1875  0.0014 -4.4570 3  204.7213 71  72503 30335 332      34 431        s-trans-Propenoic acid
  239791.2288  0.0014 -3.9697 3  204.7213 71  72503 30335 432      34 431        s-trans-Propenoic acid
  239791.2724  0.0014 -3.9697 3  204.7213 71  72503 30335 332      34 331        s-trans-Propenoic acid
  239791.3136  0.0014 -4.4570 3  204.7213 71  72503 30335 432      34 331        s-trans-Propenoic acid
  239795.4847  0.0054 -5.2838 3  249.3902 83  72503 30341 239      41 140        s-trans-Propenoic acid
  239795.4847  0.0054 -5.7046 3  249.3902 83  72503 30341 239      41 240        s-trans-Propenoic acid
  239795.4847  0.0054 -5.7046 3  249.3902 83  72503 30341 339      41 140        s-trans-Propenoic acid
  239795.4847  0.0054 -5.2838 3  249.3902 83  72503 30341 339      41 240        s-trans-Propenoic acid
  239813.7079  0.0014 -4.0134 3  192.4563 63  72503 30331 824      30 823        s-trans-Propenoic acid
  239871.8344  0.0036 -6.3899 3  131.7077 43  72503 303211012      21 813        s-trans-Propenoic acid
  239932.8231  0.0014 -4.5176 3  202.5826 69  72503 30334 430      33 529        s-trans-Propenoic acid
  239934.8269  0.0014 -3.9818 3  202.5826 69  72503 30334 530      33 529        s-trans-Propenoic acid
  239936.7509  0.0014 -3.9818 3  202.5824 69  72503 30334 430      33 429        s-trans-Propenoic acid
  239938.7547  0.0014 -4.5176 3  202.5824 69  72503 30334 530      33 429        s-trans-Propenoic acid
  239940.5250  0.0370 -5.9289 3  681.3124133  72503 303661651      661452        s-trans-Propenoic acid
  239976.1904  0.4134 -6.1156 3 1160.4770175  72503 303872265      872166        s-trans-Propenoic acid
  240001.2671  0.0149 -4.8720 3  250.2910 63  72503 303311813      311714        s-trans-Propenoic acid
  240001.2671  0.0149 -4.8720 3  250.2910 63  72503 303311814      311715        s-trans-Propenoic acid
  240063.9357  0.0577 -5.3971 3  741.7084139  72503 303691653      691554        s-trans-Propenoic acid
  240064.1108  0.0253 -5.9565 3  360.9102 91  72503 303451432      451233        s-trans-Propenoic acid
  240156.0088  0.0171 -5.7943 3  499.5226111  72503 303551541      541638        s-trans-Propenoic acid
  240183.2500  0.0014 -4.5925 3  199.8406 67  72503 30333 528      32 627        s-trans-Propenoic acid
  240230.6451  0.1679 -6.4538 3  706.2241135  72503 303671751      661848        s-trans-Propenoic acid
  240246.3911  0.0014 -3.9922 3  199.8406 67  72503 30333 628      32 627        s-trans-Propenoic acid
  240299.6728  0.0014 -3.9920 3  199.8367 67  72503 30333 528      32 527        s-trans-Propenoic acid
  240327.4876  0.0974 -6.0549 3  572.5828119  72503 303591743      591544        s-trans-Propenoic acid
  240348.4815  0.0152 -4.8833 3  242.4073 61  72503 303301812      301713        s-trans-Propenoic acid
  240348.4816  0.0152 -4.8833 3  242.4073 61  72503 303301813      301714        s-trans-Propenoic acid
  240362.8139  0.0014 -4.5919 3  199.8367 67  72503 30333 628      32 527        s-trans-Propenoic acid
  240367.4073  0.0317 -5.7738 3  541.7210115  72503 303571741      561838        s-trans-Propenoic acid
  240419.9349  0.0528 -5.1442 3  594.7034119  72503 303592040      591941        s-trans-Propenoic acid
  240498.8975  0.0016 -4.0021 3  183.7705 61  72503 30330 723      29 722        s-trans-Propenoic acid
  240555.9084  0.0035 -6.3879 3  131.6850 43  72503 303211011      21 814        s-trans-Propenoic acid
  240631.8860  0.1460 -6.2169 3  756.6485139  72503 303691951      691752        s-trans-Propenoic acid
  240662.6464  0.0155 -4.8975 3  234.7842 59  72503 303291811      291712        s-trans-Propenoic acid
  240662.6464  0.0155 -4.8975 3  234.7842 59  72503 303291812      291713        s-trans-Propenoic acid
  240665.9630  0.0015 -4.0008 3  196.4449 65  72503 30332 726      31 725        s-trans-Propenoic acid
  240687.2052  0.1645 -5.5900 3  874.8415149  72503 303742253      742154        s-trans-Propenoic acid
  240785.3880  0.0291 -5.8482 3  639.8077129  72503 303641450      641451        s-trans-Propenoic acid
  240852.6783  0.1757 -5.4982 3  817.2486143  72503 303712249      712150        s-trans-Propenoic acid
  240857.3200  0.1598 -5.7669 3  976.6683159  72503 303792258      792159        s-trans-Propenoic acid
  240863.7595  0.2801 -5.6807 3  923.3123153  72503 303762353      762254        s-trans-Propenoic acid
  240905.4936  0.0018 -4.0218 3  188.7018 61  72503 30330 921      29 920        s-trans-Propenoic acid
  240943.7532  0.0289 -5.2437 3  639.8024129  72503 303641450      641351        s-trans-Propenoic acid
  240946.1628  0.0157 -4.9150 3  227.4209 57  72503 303281810      281711        s-trans-Propenoic acid
  240946.1628  0.0157 -4.9150 3  227.4209 57  72503 303281811      281712        s-trans-Propenoic acid
  241037.9123  0.0213 -4.9473 3  445.1523 99  72503 303491930      491831        s-trans-Propenoic acid
  241048.6477  0.0213 -4.9473 3  445.1520 99  72503 303491931      491832        s-trans-Propenoic acid
  241072.5219  0.0014 -4.0587 3  204.6111 63  72503 303311121      301120        s-trans-Propenoic acid
  241096.5068  0.0036 -5.4968 3  322.7755 93  72503 30346 541      46 542        s-trans-Propenoic acid
  241096.5072  0.0036 -5.0370 3  322.7755 93  72503 30346 541      46 442        s-trans-Propenoic acid
  241096.5175  0.0036 -5.0370 3  322.7755 93  72503 30346 641      46 542        s-trans-Propenoic acid
  241096.5179  0.0036 -5.4968 3  322.7755 93  72503 30346 641      46 442        s-trans-Propenoic acid
  241109.9797  0.0636 -5.4583 3  786.3214143  72503 303711854      711755        s-trans-Propenoic acid
  241201.2891  0.0160 -4.9364 3  220.3168 55  72503 3032718 9      271710        s-trans-Propenoic acid
  241201.2891  0.0160 -4.9364 3  220.3168 55  72503 303271810      271711        s-trans-Propenoic acid
  241314.4806  0.0397 -5.8310 3  579.2953119  72503 303591842      581939        s-trans-Propenoic acid
  241393.0556  0.0014 -4.0576 3  204.6222 63  72503 303311120      301119        s-trans-Propenoic acid
  241430.1529  0.0163 -4.9623 3  213.4714 53  72503 3032618 8      2617 9        s-trans-Propenoic acid
  241430.1529  0.0163 -4.9623 3  213.4714 53  72503 3032618 9      261710        s-trans-Propenoic acid
  241441.0103  0.0859 -6.1513 3  804.8419145  72503 303721755      721756        s-trans-Propenoic acid
  241518.4717  0.0555 -5.9699 3  658.8990127  72503 303632044      622141        s-trans-Propenoic acid
  241523.8027  0.0475 -5.8975 3  618.3571123  72503 303611943      602040        s-trans-Propenoic acid
  241537.5033  0.0015 -3.9974 3  196.3739 65  72503 30332 626      31 625        s-trans-Propenoic acid
  241549.3685  0.0640 -6.0465 3  700.9165131  72503 303652145      642242        s-trans-Propenoic acid
  241590.0210  0.0109 -5.6132 3  405.1073 65  72503 3033231 1      3131 0        s-trans-Propenoic acid
  241590.0210  0.0109 -5.6132 3  405.1073 65  72503 3033231 2      3131 1        s-trans-Propenoic acid
  241634.7613  0.0165 -4.9939 3  206.8842 51  72503 3032518 7      2517 8        s-trans-Propenoic acid
  241634.7613  0.0165 -4.9939 3  206.8842 51  72503 3032518 8      2517 9        s-trans-Propenoic acid
  241678.5476  0.0101 -5.2895 3  391.0228 65  72503 3033230 2      3130 1        s-trans-Propenoic acid
  241678.5476  0.0101 -5.2895 3  391.0228 65  72503 3033230 3      3130 2        s-trans-Propenoic acid
  241715.8202  0.0732 -6.1265 3  744.4062135  72503 303672246      662343        s-trans-Propenoic acid
  241773.5289  0.0094 -5.0917 3  377.4014 65  72503 3033229 3      3129 2        s-trans-Propenoic acid
  241773.5289  0.0094 -5.0917 3  377.4014 65  72503 3033229 4      3129 3        s-trans-Propenoic acid
  241817.0097  0.0168 -5.0324 3  200.5545 49  72503 3032418 6      2417 7        s-trans-Propenoic acid
  241817.0097  0.0168 -5.0324 3  200.5545 49  72503 3032418 7      2417 8        s-trans-Propenoic acid
  241847.1807  0.0036 -6.4543 3  126.2748 41  72503 303201011      20 812        s-trans-Propenoic acid
  241876.0147  0.0087 -4.9462 3  364.2437 65  72503 3033228 4      3128 3        s-trans-Propenoic acid
  241876.0147  0.0087 -4.9462 3  364.2437 65  72503 3033228 5      3128 4        s-trans-Propenoic acid
  241882.1806  0.0842 -6.1864 3  614.1878125  72503 303621647      611744        s-trans-Propenoic acid
  241890.0183  0.0739 -6.1258 3  744.4059135  72503 303672245      662344        s-trans-Propenoic acid
  241945.4127  0.0091 -6.0015 3  244.2958 71  72503 303351224      351025        s-trans-Propenoic acid
  241976.9317  0.0653 -6.0449 3  700.9156131  72503 303652144      642243        s-trans-Propenoic acid
  241978.6901  0.0171 -5.0799 3  194.4819 47  72503 3032318 5      2317 6        s-trans-Propenoic acid
  241978.6901  0.0171 -5.0799 3  194.4819 47  72503 3032318 6      2317 7        s-trans-Propenoic acid
  241987.2569  0.0080 -4.8297 3  351.5498 65  72503 3033227 5      3127 4        s-trans-Propenoic acid
  241987.2569  0.0080 -4.8297 3  351.5498 65  72503 3033227 6      3127 5        s-trans-Propenoic acid
  242027.2834  0.0068 -6.2258 3  145.1773 49  72503 30324 915      24 618        s-trans-Propenoic acid
  242032.2213  0.0280 -5.2399 3  639.8077129  72503 303641550      641451        s-trans-Propenoic acid
  242042.7811  0.0834 -6.2095 3  789.3658139  72503 303692347      682444        s-trans-Propenoic acid
  242083.0843  0.0977 -5.3283 3  718.1660133  72503 303662146      662047        s-trans-Propenoic acid
  242108.7588  0.0073 -4.7321 3  339.3204 65  72503 3033226 6      3126 5        s-trans-Propenoic acid
  242108.7588  0.0073 -4.7321 3  339.3204 65  72503 3033226 7      3126 6        s-trans-Propenoic acid
  242112.2322  0.0837 -6.2093 3  789.3657139  72503 303692346      682445        s-trans-Propenoic acid
  242121.4969  0.0173 -5.1397 3  188.6659 45  72503 3032218 4      2217 5        s-trans-Propenoic acid
  242121.4969  0.0173 -5.1397 3  188.6659 45  72503 3032218 5      2217 6        s-trans-Propenoic acid
  242171.4429  0.0036 -6.4533 3  126.2640 41  72503 303201010      20 813        s-trans-Propenoic acid
  242173.9803  0.1810 -6.4071 3  939.1516157  72503 303781959      781960        s-trans-Propenoic acid
  242190.5865  0.0279 -5.8434 3  639.8024129  72503 303641550      641351        s-trans-Propenoic acid
  242242.3388  0.0067 -4.6477 3  327.5559 65  72503 3033225 7      3125 6        s-trans-Propenoic acid
  242242.3388  0.0067 -4.6477 3  327.5559 65  72503 3033225 8      3125 7        s-trans-Propenoic acid
  242247.0330  0.0176 -5.2171 3  183.1060 43  72503 3032118 3      2117 4        s-trans-Propenoic acid
  242247.0330  0.0176 -5.2171 3  183.1060 43  72503 3032118 4      2117 5        s-trans-Propenoic acid
  242312.8801  0.1234 -5.7168 3  947.7275157  72503 303782158      782059        s-trans-Propenoic acid
  242356.8144  0.0179 -5.3225 3  177.8018 41  72503 3032018 2      2017 3        s-trans-Propenoic acid
  242356.8144  0.0179 -5.3225 3  177.8018 41  72503 3032018 3      2017 4        s-trans-Propenoic acid
  242360.9778  0.0489 -5.1174 3  579.2953117  72503 303582038      581939        s-trans-Propenoic acid
  242383.7358  0.0200 -4.9306 3  432.4813 97  72503 303481929      481830        s-trans-Propenoic acid
  242389.0044  0.0200 -4.9306 3  432.4811 97  72503 303481930      481831        s-trans-Propenoic acid
  242390.2152  0.0061 -4.5734 3  316.2570 65  72503 3033224 8      3124 7        s-trans-Propenoic acid
  242390.2152  0.0061 -4.5734 3  316.2570 65  72503 3033224 9      3124 8        s-trans-Propenoic acid
  242421.7469  0.0014 -4.0340 3  200.1458 63  72503 303311022      301021        s-trans-Propenoic acid
  242452.2745  0.0181 -5.4788 3  172.7529 39  72503 3031918 1      1917 2        s-trans-Propenoic acid
  242452.2745  0.0181 -5.4788 3  172.7529 39  72503 3031918 2      1917 3        s-trans-Propenoic acid
  242460.8016  0.1243 -6.2733 3  870.6498151  72503 303751857      751858        s-trans-Propenoic acid
  242523.5886  0.0947 -6.2956 3  835.7932143  72503 303712448      702545        s-trans-Propenoic acid
  242524.7267  0.0971 -5.3018 3  700.8973131  72503 303652144      652045        s-trans-Propenoic acid
  242534.7673  0.0184 -5.7597 3  167.9589 37  72503 3031818 0      1817 1        s-trans-Propenoic acid
  242534.7673  0.0184 -5.7597 3  167.9589 37  72503 3031818 1      1817 2        s-trans-Propenoic acid
  242535.1504  0.0014 -4.0169 3  196.1742 63  72503 30331 923      30 922        s-trans-Propenoic acid
  242541.7845  0.0583 -5.9661 3  658.8968127  72503 303632043      622142        s-trans-Propenoic acid
  242550.7591  0.0948 -6.2955 3  835.7931143  72503 303712447      702546        s-trans-Propenoic acid
  242555.1190  0.0055 -4.5069 3  305.4245 65  72503 3033223 9      3123 8        s-trans-Propenoic acid
  242555.1190  0.0055 -4.5069 3  305.4245 65  72503 303322310      3123 9        s-trans-Propenoic acid
  242599.0681  0.0811 -5.4914 3  804.8033145  72503 303721755      721656        s-trans-Propenoic acid
  242631.4448  0.0046 -5.1544 3  276.0792 87  72503 30343 340      43 241        s-trans-Propenoic acid
  242631.4448  0.0046 -5.5875 3  276.0792 87  72503 30343 340      43 341        s-trans-Propenoic acid
  242631.4449  0.0046 -5.5875 3  276.0792 87  72503 30343 440      43 241        s-trans-Propenoic acid
  242631.4449  0.0046 -5.1544 3  276.0792 87  72503 30343 440      43 341        s-trans-Propenoic acid
  242727.3663  0.0484 -5.1161 3  579.2814117  72503 303582039      581940        s-trans-Propenoic acid
  242740.4467  0.0049 -4.4468 3  295.0591 65  72503 303322210      3122 9        s-trans-Propenoic acid
  242740.4467  0.0049 -4.4468 3  295.0591 65  72503 303322211      312210        s-trans-Propenoic acid
  242795.3981  0.0017 -4.6876 3  196.3739 65  72503 30332 726      31 625        s-trans-Propenoic acid
  242832.7434  0.3072 -5.9705 3 1084.0136169  72503 303842163      842064        s-trans-Propenoic acid
  242866.6129  0.0144 -5.9656 3  299.0298 81  72503 303401328      401129        s-trans-Propenoic acid
  242892.1887  0.0387 -5.6784 3  491.4206109  72503 303541638      531737        s-trans-Propenoic acid
  242897.7310  0.1596 -5.5510 3  855.2615147  72503 303732252      732153        s-trans-Propenoic acid
  242898.3277  0.0068 -5.5367 3  232.4618 81  72503 30340 139      40 040        s-trans-Propenoic acid
  242898.3277  0.0068 -5.9453 3  232.4618 81  72503 30340 139      40 140        s-trans-Propenoic acid
  242898.3277  0.0068 -5.9453 3  232.4618 81  72503 30340 239      40 040        s-trans-Propenoic acid
  242898.3277  0.0068 -5.5367 3  232.4618 81  72503 30340 239      40 140        s-trans-Propenoic acid
  242950.4712  0.0044 -4.3922 3  285.1620 65  72503 303322111      312110        s-trans-Propenoic acid
  242950.4712  0.0044 -4.3922 3  285.1620 65  72503 303322112      312111        s-trans-Propenoic acid
  242957.2724  0.0035 -5.4872 3  352.8368 97  72503 30348 642      48 643        s-trans-Propenoic acid
  242957.2750  0.0035 -5.0142 3  352.8368 97  72503 30348 642      48 543        s-trans-Propenoic acid
  242957.3295  0.0035 -5.0142 3  352.8368 97  72503 30348 742      48 643        s-trans-Propenoic acid
  242957.3321  0.0035 -5.4872 3  352.8368 97  72503 30348 742      48 543        s-trans-Propenoic acid
  242995.0088  0.0640 -6.1220 3  786.2585143  72503 303711854      711655        s-trans-Propenoic acid
  243054.3578  0.0855 -6.2267 3  831.9536147  72503 303731955      731756        s-trans-Propenoic acid
  243078.6019  0.5849 -6.0493 3 1133.7371171  72503 303852560      852461        s-trans-Propenoic acid
  243135.1712  0.1006 -5.6344 3  898.9072153  72503 303762057      761958        s-trans-Propenoic acid
  243140.8994  0.1072 -6.3847 3  883.6866147  72503 303732549      722646        s-trans-Propenoic acid
  243151.3525  0.1073 -6.3846 3  883.6865147  72503 303732548      722647        s-trans-Propenoic acid
  243166.4880  0.0068 -6.2316 3  188.6264 61  72503 30330 921      30 724        s-trans-Propenoic acid
  243190.6396  0.0039 -4.3422 3  275.7347 65  72503 303322012      312011        s-trans-Propenoic acid
  243190.6396  0.0039 -4.3422 3  275.7347 65  72503 303322013      312012        s-trans-Propenoic acid
  243225.0003  0.0034 -6.2597 3   86.3082 31  72503 30315 511      14 312        s-trans-Propenoic acid
  243468.0014  0.0034 -4.2962 3  266.7788 65  72503 303321913      311912        s-trans-Propenoic acid
  243468.0014  0.0034 -4.2962 3  266.7788 65  72503 303321914      311913        s-trans-Propenoic acid
  243579.0011  0.0206 -5.7680 3  599.5152125  72503 303621349      621350        s-trans-Propenoic acid
  243604.7419  0.0068 -5.1024 3  243.2690 73  72503 30336 927      351026        s-trans-Propenoic acid
  243624.5623  0.0190 -4.9152 3  420.0856 95  72503 303471928      471829        s-trans-Propenoic acid
  243627.0919  0.0190 -4.9152 3  420.0855 95  72503 303471929      471830        s-trans-Propenoic acid
  243631.3952  0.0206 -5.1844 3  599.5134125  72503 303621349      621250        s-trans-Propenoic acid
  243728.8105  0.0040 -5.8598 3  100.3272 37  72503 30318 513      17 314        s-trans-Propenoic acid
  243791.8439  0.0030 -4.2539 3  258.2966 65  72503 303321814      311813        s-trans-Propenoic acid
  243791.8439  0.0030 -4.2539 3  258.2966 65  72503 303321815      311814        s-trans-Propenoic acid
  243875.7636  0.1210 -6.4767 3  933.0443151  72503 303752650      742747        s-trans-Propenoic acid
  243877.8169  0.0035 -4.6294 3  100.8108 27  72503 3031311 2      1210 3        s-trans-Propenoic acid
  243877.8169  0.0035 -4.6294 3  100.8108 27  72503 3031311 3      1210 2        s-trans-Propenoic acid
  243879.7255  0.1210 -6.4767 3  933.0443151  72503 303752649      742748        s-trans-Propenoic acid
  243892.7464  0.1580 -5.7966 3  997.7536161  72503 303802259      802160        s-trans-Propenoic acid
  243897.2989  0.0024 -4.9461 3  114.9583 41  72503 30320 713      19 614        s-trans-Propenoic acid
  243900.4603  0.0529 -5.8885 3  618.3515123  72503 303611942      602041        s-trans-Propenoic acid
  244039.7548  0.0204 -5.1830 3  599.5152125  72503 303621449      621350        s-trans-Propenoic acid
  244092.1489  0.0204 -5.7663 3  599.5134125  72503 303621449      621250        s-trans-Propenoic acid
  244136.7780  0.0506 -5.3832 3  741.7327139  72503 303691753      691654        s-trans-Propenoic acid
  244156.1170  0.0057 -6.0914 3  188.7018 59  72503 303291119      29 920        s-trans-Propenoic acid
  244174.6661  0.0026 -4.2146 3  250.2910 65  72503 303321716      311715        s-trans-Propenoic acid
  244174.6662  0.0026 -4.2146 3  250.2910 65  72503 303321715      311714        s-trans-Propenoic acid
  244176.4710  0.0030 -5.7853 3  102.1337 37  72503 30318 612      17 413        s-trans-Propenoic acid
  244239.0485  0.0034 -6.2857 3   84.8728 29  72503 30314 6 9      13 410        s-trans-Propenoic acid
  244263.9425  0.1140 -5.5958 3  870.5897151  72503 303751857      751758        s-trans-Propenoic acid
  244349.0549  0.0042 -4.9581 3  221.1951 69  72503 30334 826      33 925        s-trans-Propenoic acid
  244459.2114  0.0034 -5.4941 3  384.2119101  72503 30350 743      50 744        s-trans-Propenoic acid
  244459.2258  0.0034 -5.0073 3  384.2119101  72503 30350 743      50 644        s-trans-Propenoic acid
  244459.4799  0.0034 -5.0073 3  384.2119101  72503 30350 843      50 744        s-trans-Propenoic acid
  244459.4944  0.0034 -5.4941 3  384.2119101  72503 30350 843      50 644        s-trans-Propenoic acid
  244481.2876  0.2232 -5.8354 3 1010.2042163  72503 303812061      811962        s-trans-Propenoic acid
  244627.1181  0.0016 -4.0262 3  200.2435 63  72503 303311021      301020        s-trans-Propenoic acid
  244633.7370  0.0022 -4.1783 3  242.7660 65  72503 303321617      311616        s-trans-Propenoic acid
  244633.7379  0.0022 -4.1783 3  242.7660 65  72503 303321616      311615        s-trans-Propenoic acid
  244681.0732  0.0446 -5.0901 3  564.1539115  72503 303572037      571938        s-trans-Propenoic acid
  244769.6561  0.0182 -4.9011 3  407.9640 93  72503 303461927      461828        s-trans-Propenoic acid
  244770.8438  0.0182 -4.9010 3  407.9640 93  72503 303461928      461829        s-trans-Propenoic acid
  244866.2809  0.0503 -6.0224 3  741.7084139  72503 303691753      691554        s-trans-Propenoic acid
  244884.3224  0.0443 -5.0894 3  564.1463115  72503 303572038      571939        s-trans-Propenoic acid
  244903.0686  0.0907 -5.2935 3  700.8046131  72503 303652145      652046        s-trans-Propenoic acid
  244930.9079  0.1600 -5.7104 3  939.0596157  72503 303781959      781860        s-trans-Propenoic acid
  245043.7614  0.0413 -5.9370 3  698.3498135  72503 303671552      671553        s-trans-Propenoic acid
  245054.9368  0.0027 -4.6746 3  103.2681 31  72503 3031510 6      14 9 5        s-trans-Propenoic acid
  245054.9629  0.0027 -4.6746 3  103.2681 31  72503 3031510 5      14 9 6        s-trans-Propenoic acid
  245125.4430  0.0132 -5.3098 3  302.0606 83  72503 303411130      401229        s-trans-Propenoic acid
  245159.0196  0.0675 -6.0041 3  490.9011109  72503 303541639      541440        s-trans-Propenoic acid
  245173.4864  0.0040 -5.5253 3  304.1090 91  72503 30345 441      45 442        s-trans-Propenoic acid
  245173.4865  0.0040 -5.0799 3  304.1090 91  72503 30345 441      45 342        s-trans-Propenoic acid
  245173.4873  0.0040 -5.5253 3  304.1090 91  72503 30345 541      45 342        s-trans-Propenoic acid
  245173.4873  0.0040 -5.0799 3  304.1090 91  72503 30345 541      45 442        s-trans-Propenoic acid
  245193.7163  0.0019 -4.1445 3  235.7270 65  72503 303321518      311517        s-trans-Propenoic acid
  245193.7372  0.0019 -4.1445 3  235.7270 65  72503 303321517      311516        s-trans-Propenoic acid
  245284.9626  0.0144 -5.6984 3  560.4628121  72503 303601248      601249        s-trans-Propenoic acid
  245301.2169  0.0144 -5.1335 3  560.4622121  72503 303601248      601149        s-trans-Propenoic acid
  245309.9556  0.0409 -5.3188 3  698.3409135  72503 303671552      671453        s-trans-Propenoic acid
  245379.0349  0.0016 -3.9891 3  186.0297 61  72503 30330 822      29 821        s-trans-Propenoic acid
  245409.5977  0.0023 -4.8073 3  112.9278 39  72503 30319 812      18 711        s-trans-Propenoic acid
  245444.6178  0.0144 -5.1330 3  560.4628121  72503 303601348      601249        s-trans-Propenoic acid
  245460.8720  0.0144 -5.6978 3  560.4622121  72503 303601348      601149        s-trans-Propenoic acid
  245495.1842  0.0034 -5.9550 3   86.2325 31  72503 30315 511      14 212        s-trans-Propenoic acid
  245495.5845  0.1530 -5.5117 3  835.9618145  72503 303722251      722152        s-trans-Propenoic acid
  245506.9836  0.0829 -5.5518 3  851.2791149  72503 303741956      741857        s-trans-Propenoic acid
  245575.0847  0.0036 -5.5142 3  416.8917105  72503 30352 844      52 845        s-trans-Propenoic acid
  245575.1557  0.0036 -5.0132 3  416.8917105  72503 30352 844      52 745        s-trans-Propenoic acid
  245576.2227  0.0036 -5.0132 3  416.8917105  72503 30352 944      52 845        s-trans-Propenoic acid
  245576.2937  0.0036 -5.5142 3  416.8917105  72503 30352 944      52 745        s-trans-Propenoic acid
  245724.2048  0.0295 -5.5367 3  411.7187 99  72503 303491435      481534        s-trans-Propenoic acid
  245818.1578  0.0060 -6.0863 3  208.6799 65  72503 303321022      32 825        s-trans-Propenoic acid
  245826.9591  0.0176 -4.8882 3  396.1151 91  72503 303451926      451827        s-trans-Propenoic acid
  245827.5039  0.0176 -4.8882 3  396.1150 91  72503 303451927      451828        s-trans-Propenoic acid
  245891.2764  0.0017 -4.1129 3  229.1819 65  72503 303321419      311418        s-trans-Propenoic acid
  245891.6578  0.0017 -4.1129 3  229.1819 65  72503 303321418      311417        s-trans-Propenoic acid
  245938.7659  0.0020 -3.9099 3  215.8470 79  72503 30339 039      38 038        s-trans-Propenoic acid
  245938.7659  0.0020 -4.2998 3  215.8470 79  72503 30339 039      38 138        s-trans-Propenoic acid
  245938.7659  0.0020 -4.2998 3  215.8470 79  72503 30339 139      38 038        s-trans-Propenoic acid
  245938.7659  0.0020 -3.9099 3  215.8470 79  72503 30339 139      38 138        s-trans-Propenoic acid
  245938.8637  0.0017 -3.9247 3  215.3305 77  72503 30338 137      37 136        s-trans-Propenoic acid
  245938.8637  0.0017 -4.3406 3  215.3305 77  72503 30338 137      37 236        s-trans-Propenoic acid
  245938.8637  0.0017 -4.3406 3  215.3305 77  72503 30338 237      37 136        s-trans-Propenoic acid
  245938.8637  0.0017 -3.9247 3  215.3305 77  72503 30338 237      37 236        s-trans-Propenoic acid
  245954.1513  0.0015 -4.3852 3  214.2935 75  72503 30337 235      36 334        s-trans-Propenoic acid
  245954.1516  0.0015 -3.9387 3  214.2935 75  72503 30337 335      36 334        s-trans-Propenoic acid
  245954.1519  0.0015 -3.9387 3  214.2935 75  72503 30337 235      36 234        s-trans-Propenoic acid
  245954.1521  0.0015 -4.3852 3  214.2935 75  72503 30337 335      36 234        s-trans-Propenoic acid
  245954.6658  0.0024 -4.7281 3  107.2725 35  72503 30317 9 9      16 8 8        s-trans-Propenoic acid
  245961.1494  0.0017 -3.9864 3  191.7927 63  72503 30331 724      30 723        s-trans-Propenoic acid
  245964.7905  0.0024 -4.7280 3  107.2722 35  72503 30317 9 8      16 8 9        s-trans-Propenoic acid
  246006.4563  0.0015 -4.4352 3  212.7199 73  72503 30336 333      35 432        s-trans-Propenoic acid
  246006.4762  0.0015 -3.9517 3  212.7199 73  72503 30336 433      35 432        s-trans-Propenoic acid
  246006.4975  0.0015 -3.9517 3  212.7199 73  72503 30336 333      35 332        s-trans-Propenoic acid
  246006.5174  0.0015 -4.4352 3  212.7199 73  72503 30336 433      35 332        s-trans-Propenoic acid
  246024.6888  0.0056 -5.2804 3  258.4238 85  72503 30342 240      42 141        s-trans-Propenoic acid
  246024.6888  0.0056 -5.7007 3  258.4238 85  72503 30342 240      42 241        s-trans-Propenoic acid
  246024.6888  0.0056 -5.7007 3  258.4238 85  72503 30342 340      42 141        s-trans-Propenoic acid
  246024.6888  0.0056 -5.2804 3  258.4238 85  72503 30342 340      42 241        s-trans-Propenoic acid
  246136.4623  0.0014 -4.4930 3  210.5859 71  72503 30335 431      34 530        s-trans-Propenoic acid
  246137.4773  0.0014 -3.9635 3  210.5859 71  72503 30335 531      34 530        s-trans-Propenoic acid
  246138.4661  0.0014 -3.9635 3  210.5858 71  72503 30335 431      34 430        s-trans-Propenoic acid
  246139.4811  0.0014 -4.4930 3  210.5858 71  72503 30335 531      34 430        s-trans-Propenoic acid
  246146.6127  0.0232 -5.7367 3  520.1366113  72503 303561641      551738        s-trans-Propenoic acid
  246156.1623  0.0015 -4.6601 3  204.4727 67  72503 30333 627      32 726        s-trans-Propenoic acid
  246204.7268  0.0098 -5.6382 3  522.6629117  72503 303581147      581148        s-trans-Propenoic acid
  246209.4356  0.0098 -5.0907 3  522.6627117  72503 303581147      581048        s-trans-Propenoic acid
  246223.0191  0.0873 -5.2647 3  683.7894129  72503 303642143      642044        s-trans-Propenoic acid
  246256.5129  0.0098 -5.0906 3  522.6629117  72503 303581247      581148        s-trans-Propenoic acid
  246261.2217  0.0098 -5.6380 3  522.6627117  72503 303581247      581048        s-trans-Propenoic acid
  246270.7032  0.0045 -5.5456 3  450.8667109  72503 30354 945      54 946        s-trans-Propenoic acid
  246271.0171  0.0045 -5.0299 3  450.8667109  72503 30354 945      54 846        s-trans-Propenoic acid
  246275.1028  0.0045 -5.0299 3  450.8667109  72503 303541045      54 946        s-trans-Propenoic acid
  246275.4167  0.0045 -5.5456 3  450.8667109  72503 303541045      54 846        s-trans-Propenoic acid
  246389.4570  0.0023 -4.8047 3  112.9000 39  72503 30319 811      18 712        s-trans-Propenoic acid
  246390.4852  0.0014 -4.5634 3  207.8543 69  72503 30334 529      33 628        s-trans-Propenoic acid
  246424.3643  0.0015 -3.9736 3  207.8543 69  72503 30334 629      33 628        s-trans-Propenoic acid
  246453.6264  0.0015 -3.9735 3  207.8522 69  72503 30334 529      33 528        s-trans-Propenoic acid
  246487.5055  0.0015 -4.5630 3  207.8522 69  72503 30334 629      33 528        s-trans-Propenoic acid
  246501.3859  0.0065 -5.5872 3  486.1272113  72503 303561046      561047        s-trans-Propenoic acid
  246502.6524  0.0065 -5.0560 3  486.1272113  72503 303561046      56 947        s-trans-Propenoic acid
  246517.0552  0.0065 -5.0560 3  486.1272113  72503 303561146      561047        s-trans-Propenoic acid
  246518.3217  0.0065 -5.5871 3  486.1272113  72503 303561146      56 947        s-trans-Propenoic acid
  246536.5027  0.1550 -5.4501 3  798.4110141  72503 303702248      702149        s-trans-Propenoic acid
  246557.3707  0.0015 -3.9914 3  200.4556 65  72503 30332 825      31 824        s-trans-Propenoic acid
  246633.2645  0.0495 -5.8106 3  579.2814119  72503 303591841      581940        s-trans-Propenoic acid
  246693.4068  0.0065 -5.8569 3  188.5088 61  72503 30330 921      30 624        s-trans-Propenoic acid
  246781.4345  0.0407 -5.0645 3  549.3005113  72503 303562036      561937        s-trans-Propenoic acid
  246782.6722  0.0015 -4.0833 3  223.1419 65  72503 303321320      311319        s-trans-Propenoic acid
  246788.3150  0.0015 -4.0833 3  223.1421 65  72503 303321319      311318        s-trans-Propenoic acid
  246803.4054  0.0171 -4.8767 3  384.5376 89  72503 303441925      441826        s-trans-Propenoic acid
  246803.6494  0.0171 -4.8766 3  384.5376 89  72503 303441926      441827        s-trans-Propenoic acid
  246885.5581  0.0015 -3.9816 3  204.4727 67  72503 30333 727      32 726        s-trans-Propenoic acid
  246892.0151  0.0406 -5.0641 3  549.2964113  72503 303562037      561938        s-trans-Propenoic acid
  247007.8609  0.0390 -5.3131 3  698.3498135  72503 303671652      671553        s-trans-Propenoic acid
  247234.9121  0.2186 -5.7988 3 1005.8890161  72503 303802358      802259        s-trans-Propenoic acid
  247270.5073  0.1599 -6.3284 3  858.9455149  72503 303742055      741856        s-trans-Propenoic acid
  247274.0551  0.0389 -5.9296 3  698.3409135  72503 303671652      671453        s-trans-Propenoic acid
  247285.0175  0.0020 -4.7849 3  208.6799 67  72503 30333 726      32 825        s-trans-Propenoic acid
  247357.1728  0.2150 -5.8366 3 1027.3294163  72503 303812359      812260        s-trans-Propenoic acid
  247364.3727  0.3828 -5.8229 3 1014.7917161  72503 303802456      802357        s-trans-Propenoic acid
  247407.3645  0.0037 -5.4950 3  333.4711 95  72503 30347 542      47 543        s-trans-Propenoic acid
  247407.3647  0.0037 -5.0370 3  333.4711 95  72503 30347 542      47 443        s-trans-Propenoic acid
  247407.3698  0.0037 -5.0370 3  333.4711 95  72503 30347 642      47 543        s-trans-Propenoic acid
  247407.3700  0.0037 -5.4950 3  333.4711 95  72503 30347 642      47 443        s-trans-Propenoic acid
  247414.0571  0.0015 -3.9796 3  204.4307 67  72503 30333 627      32 626        s-trans-Propenoic acid
  247419.3033  0.1353 -6.3339 3  878.7375151  72503 303752056      751857        s-trans-Propenoic acid
  247450.5515  0.1710 -6.2143 3  738.1796137  72503 303681950      681751        s-trans-Propenoic acid
  247645.4447  0.0838 -5.2598 3  683.7344129  72503 303642144      642045        s-trans-Propenoic acid
  247705.1362  0.0169 -4.8664 3  373.2306 87  72503 303431924      431825        s-trans-Propenoic acid
  247705.2429  0.0169 -4.8664 3  373.2306 87  72503 303431925      431826        s-trans-Propenoic acid
  247945.2434  0.0014 -4.0552 3  217.6244 65  72503 303321221      311220        s-trans-Propenoic acid
  247957.2086  0.1280 -5.7393 3  968.3973159  72503 303792159      792060        s-trans-Propenoic acid
  247974.5980  0.1585 -5.8244 3 1019.0578163  72503 303812260      812161        s-trans-Propenoic acid
  248011.3202  0.0014 -4.0550 3  217.6264 65  72503 303321220      311219        s-trans-Propenoic acid
  248026.6939  0.2198 -5.7595 3  984.7024159  72503 303792357      792258        s-trans-Propenoic acid
  248128.2989  0.7707 -6.2203 3 1235.5155179  72503 303892663      892564        s-trans-Propenoic acid
  248143.4529  0.0016 -4.6527 3  204.4307 67  72503 30333 727      32 626        s-trans-Propenoic acid
  248144.0875  0.6809 -6.4316 3 1346.1825189  72503 303942470      942371        s-trans-Propenoic acid
  248291.3131  0.0039 -6.1078 3   83.9348 31  72503 30315 412      14 113        s-trans-Propenoic acid
  248331.5798  0.1452 -5.4726 3  816.9477143  72503 303712250      712151        s-trans-Propenoic acid
  248355.7979  0.2447 -5.6234 3  903.0296151  72503 303752352      752253        s-trans-Propenoic acid
  248401.3036  0.0853 -6.2299 3  851.1826149  72503 303741956      741757        s-trans-Propenoic acid
  248412.8589  0.0079 -6.4407 3  169.8484 57  72503 30328 820      28 623        s-trans-Propenoic acid
  248501.7145  0.2102 -5.8724 3 1049.0135165  72503 303822360      822261        s-trans-Propenoic acid
  248537.6506  0.0167 -4.8575 3  362.1928 85  72503 303421923      421824        s-trans-Propenoic acid
  248537.6960  0.0167 -4.8575 3  362.1928 85  72503 303421924      421825        s-trans-Propenoic acid
  248588.4122  0.0672 -5.4714 3  804.8419145  72503 303721855      721756        s-trans-Propenoic acid
  248664.7131  0.0298 -5.8475 3  656.1848131  72503 303651451      651452        s-trans-Propenoic acid
  248696.2764  0.0581 -6.0358 3  759.6024141  72503 303701654      701655        s-trans-Propenoic acid
  248697.1518  0.0374 -5.0402 3  534.7321111  72503 303552035      551936        s-trans-Propenoic acid
  248756.1626  0.0373 -5.0400 3  534.7299111  72503 303552036      551937        s-trans-Propenoic acid
  248756.2851  0.0297 -5.2511 3  656.1818131  72503 303651451      651352        s-trans-Propenoic acid
  248876.8621  0.0047 -5.1526 3  285.7354 89  72503 30344 341      44 242        s-trans-Propenoic acid
  248876.8621  0.0047 -5.5847 3  285.7354 89  72503 30344 341      44 342        s-trans-Propenoic acid
  248876.8622  0.0047 -5.5847 3  285.7354 89  72503 30344 441      44 242        s-trans-Propenoic acid
  248876.8622  0.0047 -5.1526 3  285.7354 89  72503 30344 441      44 342        s-trans-Propenoic acid
  249109.1177  0.0119 -5.6337 3  427.7105 67  72503 3033332 1      3232 0        s-trans-Propenoic acid
  249109.1177  0.0119 -5.6337 3  427.7105 67  72503 3033332 2      3232 1        s-trans-Propenoic acid
  249118.3841  0.0070 -5.5329 3  241.0805 83  72503 30341 140      41 041        s-trans-Propenoic acid
  249118.3841  0.0070 -5.9411 3  241.0805 83  72503 30341 140      41 141        s-trans-Propenoic acid
  249118.3841  0.0070 -5.9411 3  241.0805 83  72503 30341 240      41 041        s-trans-Propenoic acid
  249118.3841  0.0070 -5.5329 3  241.0805 83  72503 30341 240      41 141        s-trans-Propenoic acid
  249133.5699  0.0571 -5.4036 3  759.5878141  72503 303701654      701555        s-trans-Propenoic acid
  249198.6940  0.0111 -5.3088 3  413.1659 67  72503 3033331 2      3231 1        s-trans-Propenoic acid
  249198.6940  0.0111 -5.3088 3  413.1659 67  72503 3033331 3      3231 2        s-trans-Propenoic acid
  249243.5409  0.1394 -6.1258 3  643.9118127  72503 303631846      631647        s-trans-Propenoic acid
  249294.4278  0.0103 -5.1099 3  399.0843 67  72503 3033330 3      3230 2        s-trans-Propenoic acid
  249294.4278  0.0103 -5.1099 3  399.0843 67  72503 3033330 4      3230 3        s-trans-Propenoic acid
  249305.9141  0.0167 -4.8499 3  351.4233 83  72503 303411922      411823        s-trans-Propenoic acid
  249305.9329  0.0167 -4.8499 3  351.4233 83  72503 303411923      411824        s-trans-Propenoic acid
  249316.1060  0.0036 -5.4864 3  364.1568 99  72503 30349 643      49 644        s-trans-Propenoic acid
  249316.1073  0.0036 -5.0155 3  364.1568 99  72503 30349 643      49 544        s-trans-Propenoic acid
  249316.1348  0.0036 -5.0155 3  364.1568 99  72503 30349 743      49 644        s-trans-Propenoic acid
  249316.1360  0.0036 -5.4864 3  364.1568 99  72503 30349 743      49 544        s-trans-Propenoic acid
  249389.0395  0.0014 -4.0287 3  212.6524 65  72503 303321122      311121        s-trans-Propenoic acid
  249397.2926  0.0096 -4.9632 3  385.4661 67  72503 3033329 4      3229 3        s-trans-Propenoic acid
  249397.2926  0.0096 -4.9632 3  385.4661 67  72503 3033329 5      3229 4        s-trans-Propenoic acid
  249417.9800  0.0293 -5.2489 3  656.1848131  72503 303651551      651452        s-trans-Propenoic acid
  249435.6487  0.0792 -5.2302 3  666.9871127  72503 303632142      632043        s-trans-Propenoic acid
  249508.4427  0.0088 -4.8456 3  372.3118 67  72503 3033328 5      3228 4        s-trans-Propenoic acid
  249508.4427  0.0088 -4.8456 3  372.3118 67  72503 3033328 6      3228 5        s-trans-Propenoic acid
  249509.5520  0.0293 -5.8447 3  656.1818131  72503 303651551      651352        s-trans-Propenoic acid
  249589.2587  0.2180 -5.7188 3  963.7791157  72503 303782356      782257        s-trans-Propenoic acid
  249590.0030  0.0078 -6.0466 3  169.8092 57  72503 30328 820      28 523        s-trans-Propenoic acid
  249629.2550  0.0081 -4.7467 3  359.6217 67  72503 3033327 6      3227 5        s-trans-Propenoic acid
  249629.2550  0.0081 -4.7467 3  359.6217 67  72503 3033327 7      3227 6        s-trans-Propenoic acid
  249746.4701  0.0671 -6.1242 3  804.8033145  72503 303721855      721656        s-trans-Propenoic acid
  249761.3836  0.0074 -4.6611 3  347.3963 67  72503 3033326 7      3226 6        s-trans-Propenoic acid
  249761.3836  0.0074 -4.6611 3  347.3963 67  72503 3033326 8      3226 7        s-trans-Propenoic acid
  249888.3755  0.1061 -5.6528 3  918.9301155  72503 303772058      771959        s-trans-Propenoic acid
  249906.8312  0.0068 -4.5856 3  335.6363 67  72503 3033325 8      3225 7        s-trans-Propenoic acid
  249906.8312  0.0068 -4.5856 3  335.6363 67  72503 3033325 9      3225 8        s-trans-Propenoic acid
  249938.5096  0.1203 -6.3394 3  898.6803153  72503 303762057      761858        s-trans-Propenoic acid
  249974.2701  0.0014 -4.0267 3  212.6742 65  72503 303321121      311120        s-trans-Propenoic acid
  250014.4421  0.0167 -4.8438 3  340.9212 81  72503 303401921      401822        s-trans-Propenoic acid
  250014.4497  0.0167 -4.8438 3  340.9212 81  72503 303401922      401823        s-trans-Propenoic acid
  250068.0424  0.0061 -4.5179 3  324.3423 67  72503 3033324 9      3224 8        s-trans-Propenoic acid
  250068.0424  0.0061 -4.5179 3  324.3423 67  72503 303332410      3224 9        s-trans-Propenoic acid
  250089.0746  0.1920 -6.3227 3  839.2939147  72503 303732054      731855        s-trans-Propenoic acid
  250110.4830  0.0014 -3.9916 3  204.2643 65  72503 30332 924      31 923        s-trans-Propenoic acid
  250189.0727  0.0046 -4.5675 3  102.6344 25  72503 3031212 0      1111 1        s-trans-Propenoic acid
  250189.0727  0.0046 -4.5675 3  102.6344 25  72503 3031212 1      1111 0        s-trans-Propenoic acid
  250248.0299  0.0055 -4.4567 3  313.5152 67  72503 303332310      3223 9        s-trans-Propenoic acid
  250248.0299  0.0055 -4.4567 3  313.5152 67  72503 303332311      322310        s-trans-Propenoic acid
  250269.2162  0.0772 -5.2273 3  666.9552127  72503 303632143      632044        s-trans-Propenoic acid
  250389.1568  0.0051 -5.7846 3   93.7816 35  72503 30317 413      16 314        s-trans-Propenoic acid
  250450.5452  0.0050 -4.4008 3  303.1560 67  72503 303332211      322210        s-trans-Propenoic acid
  250450.5452  0.0050 -4.4008 3  303.1560 67  72503 303332212      322211        s-trans-Propenoic acid
  250453.9734  0.0344 -5.0174 3  520.4463109  72503 303542034      541935        s-trans-Propenoic acid
  250457.2247  0.0330 -5.7665 3  556.6758117  72503 303581742      571839        s-trans-Propenoic acid
  250484.8601  0.0344 -5.0173 3  520.4452109  72503 303542035      541936        s-trans-Propenoic acid
  250616.1669  0.0014 -4.0055 3  208.2322 65  72503 303321023      311022        s-trans-Propenoic acid
  250658.0782  0.0051 -6.1119 3  180.9945 57  72503 303281118      28 919        s-trans-Propenoic acid
  250667.3637  0.0168 -4.8391 3  330.6855 79  72503 303391920      391821        s-trans-Propenoic acid
  250667.3667  0.0168 -4.8391 3  330.6855 79  72503 303391921      391822        s-trans-Propenoic acid
  250680.3156  0.0044 -4.3496 3  293.2660 67  72503 303332112      322111        s-trans-Propenoic acid
  250680.3156  0.0044 -4.3496 3  293.2660 67  72503 303332113      322112        s-trans-Propenoic acid
  250729.6344  0.2057 -5.9063 3 1070.9315167  72503 303832361      832262        s-trans-Propenoic acid
  250829.9174  0.0019 -3.9859 3  196.7376 63  72503 30331 922      30 921        s-trans-Propenoic acid
  250879.3316  0.0035 -5.4941 3  396.1574103  72503 30351 744      51 745        s-trans-Propenoic acid
  250879.3388  0.0035 -5.0099 3  396.1574103  72503 30351 744      51 645        s-trans-Propenoic acid
  250879.4700  0.0035 -5.0099 3  396.1574103  72503 30351 844      51 745        s-trans-Propenoic acid
  250879.4772  0.0035 -5.4941 3  396.1574103  72503 30351 844      51 645        s-trans-Propenoic acid
  250941.6889  0.0415 -5.9716 3  416.2145 99  72503 303491535      491336        s-trans-Propenoic acid
  250943.3792  0.0039 -4.3024 3  283.8467 67  72503 303332013      322012        s-trans-Propenoic acid
  250943.3792  0.0039 -4.3024 3  283.8467 67  72503 303332014      322013        s-trans-Propenoic acid
  250970.3880  0.0214 -5.7690 3  615.2508127  72503 303631350      631351        s-trans-Propenoic acid
  251000.0346  0.0214 -5.1921 3  615.2498127  72503 303631350      631251        s-trans-Propenoic acid
  251083.2893  0.0070 -6.3585 3  138.6633 47  72503 30323 914      23 617        s-trans-Propenoic acid
  251123.7394  0.0050 -6.1547 3   93.7571 35  72503 30317 413      16 214        s-trans-Propenoic acid
  251185.3204  0.0018 -3.9723 3  199.9971 65  72503 30332 725      31 724        s-trans-Propenoic acid
  251241.8223  0.0213 -5.1913 3  615.2508127  72503 303631450      631351        s-trans-Propenoic acid
  251247.5704  0.0034 -4.2589 3  274.9000 67  72503 303331914      321913        s-trans-Propenoic acid
  251247.5704  0.0034 -4.2589 3  274.9000 67  72503 303331915      321914        s-trans-Propenoic acid
  251268.4729  0.0169 -4.8359 3  320.7154 77  72503 303381919      381820        s-trans-Propenoic acid
  251268.4741  0.0169 -4.8359 3  320.7154 77  72503 303381920      381821        s-trans-Propenoic acid
  251271.4690  0.0213 -5.7680 3  615.2498127  72503 303631450      631251        s-trans-Propenoic acid
  251279.3642  0.1365 -5.4340 3  798.2227141  72503 303702249      702150        s-trans-Propenoic acid
  251302.1063  0.1383 -5.4062 3  779.9044139  72503 303692247      692148        s-trans-Propenoic acid
  251423.4205  0.0034 -4.6107 3  104.0978 29  72503 3031411 3      1310 4        s-trans-Propenoic acid
  251423.4205  0.0034 -4.6107 3  104.0978 29  72503 3031411 4      1310 3        s-trans-Propenoic acid
  251443.5783  0.0041 -5.0795 3  314.3883 93  72503 30346 442      46 343        s-trans-Propenoic acid
  251443.5783  0.0041 -5.5236 3  314.3883 93  72503 30346 442      46 443        s-trans-Propenoic acid
  251443.5787  0.0041 -5.5236 3  314.3883 93  72503 30346 542      46 343        s-trans-Propenoic acid
  251443.5787  0.0041 -5.0795 3  314.3883 93  72503 30346 542      46 443        s-trans-Propenoic acid
  251494.2055  0.0040 -5.2086 3  112.3385 41  72503 30320 614      19 515        s-trans-Propenoic acid
  251603.2460  0.0030 -4.2185 3  266.4286 67  72503 303331815      321814        s-trans-Propenoic acid
  251603.2460  0.0030 -4.2185 3  266.4286 67  72503 303331816      321815        s-trans-Propenoic acid
  251629.4971  0.0813 -6.1448 3  823.5602147  72503 303731756      731757        s-trans-Propenoic acid
  251712.5918  0.0484 -5.7292 3  541.6878115  72503 303571740      561839        s-trans-Propenoic acid
  251726.3891  0.0531 -5.3949 3  759.6024141  72503 303701754      701655        s-trans-Propenoic acid
  251759.7727  0.2133 -5.6774 3  943.1276155  72503 303772355      772256        s-trans-Propenoic acid
  251796.0293  0.0023 -4.8018 3  117.8650 41  72503 30320 813      19 712        s-trans-Propenoic acid
  251821.2713  0.0171 -4.8344 3  311.0100 75  72503 303371918      371819        s-trans-Propenoic acid
  251821.2717  0.0171 -4.8344 3  311.0100 75  72503 303371919      371820        s-trans-Propenoic acid
  251875.9290  0.0593 -6.0463 3  597.6170123  72503 303611646      601743        s-trans-Propenoic acid
  251985.5103  0.0053 -6.0050 3  212.6071 65  72503 303321121      32 924        s-trans-Propenoic acid
  252014.2410  0.0062 -5.7956 3  199.9971 63  72503 303311021      31 724        s-trans-Propenoic acid
  252024.4077  0.0026 -4.1810 3  258.4358 67  72503 303331717      321716        s-trans-Propenoic acid
  252024.4078  0.0026 -4.1810 3  258.4358 67  72503 303331716      321715        s-trans-Propenoic acid
  252071.3258  0.0318 -4.9958 3  506.4411107  72503 303532033      531934        s-trans-Propenoic acid
  252072.2980  0.0037 -5.5149 3  429.4639107  72503 30353 845      53 846        s-trans-Propenoic acid
  252072.3342  0.0037 -5.0170 3  429.4639107  72503 30353 845      53 746        s-trans-Propenoic acid
  252072.8974  0.0037 -5.0170 3  429.4639107  72503 30353 945      53 846        s-trans-Propenoic acid
  252072.9336  0.0037 -5.5149 3  429.4639107  72503 30353 945      53 746        s-trans-Propenoic acid
  252087.1794  0.0318 -4.9958 3  506.4405107  72503 303532034      531935        s-trans-Propenoic acid
  252121.7232  0.0051 -6.0200 3  204.2643 63  72503 303311120      31 923        s-trans-Propenoic acid
  252146.2974  0.0028 -5.7039 3  106.9352 39  72503 30319 613      18 414        s-trans-Propenoic acid
  252160.1170  0.0018 -3.9089 3  223.5342 79  72503 30339 138      38 137        s-trans-Propenoic acid
  252160.1170  0.0018 -4.3237 3  223.5342 79  72503 30339 138      38 237        s-trans-Propenoic acid
  252160.1170  0.0018 -4.3237 3  223.5342 79  72503 30339 238      38 137        s-trans-Propenoic acid
  252160.1170  0.0018 -3.9089 3  223.5342 79  72503 30339 238      38 237        s-trans-Propenoic acid
  252160.3478  0.0020 -3.8945 3  224.0506 81  72503 30340 040      39 039        s-trans-Propenoic acid
  252160.3478  0.0020 -4.2841 3  224.0506 81  72503 30340 040      39 139        s-trans-Propenoic acid
  252160.3478  0.0020 -4.2841 3  224.0506 81  72503 30340 140      39 039        s-trans-Propenoic acid
  252160.3478  0.0020 -3.8945 3  224.0506 81  72503 30340 140      39 139        s-trans-Propenoic acid
  252163.6827  0.0529 -6.0246 3  759.5878141  72503 303701754      701555        s-trans-Propenoic acid
  252172.8515  0.5226 -6.2690 3 1263.5479183  72503 303912368      912269        s-trans-Propenoic acid
  252173.9912  0.0016 -4.3669 3  222.4976 77  72503 30338 236      37 335        s-trans-Propenoic acid
  252173.9913  0.0016 -3.9224 3  222.4976 77  72503 30338 336      37 335        s-trans-Propenoic acid
  252173.9914  0.0016 -3.9224 3  222.4976 77  72503 30338 236      37 235        s-trans-Propenoic acid
  252173.9916  0.0016 -4.3669 3  222.4976 77  72503 30338 336      37 235        s-trans-Propenoic acid
  252191.3211  0.0427 -5.8188 3  594.7280121  72503 303601843      591940        s-trans-Propenoic acid
  252222.0327  0.0015 -4.4150 3  220.9258 75  72503 30337 334      36 433        s-trans-Propenoic acid
  252222.0423  0.0015 -3.9350 3  220.9258 75  72503 30337 434      36 433        s-trans-Propenoic acid
  252222.0526  0.0015 -3.9350 3  220.9258 75  72503 30337 334      36 333        s-trans-Propenoic acid
  252222.0622  0.0015 -4.4150 3  220.9258 75  72503 30337 434      36 333        s-trans-Propenoic acid
  252252.6016  0.0057 -5.2781 3  267.6649 87  72503 30343 241      43 142        s-trans-Propenoic acid
  252252.6016  0.0057 -5.6977 3  267.6649 87  72503 30343 241      43 242        s-trans-Propenoic acid
  252252.6016  0.0057 -5.6977 3  267.6649 87  72503 30343 341      43 142        s-trans-Propenoic acid
  252252.6016  0.0057 -5.2781 3  267.6649 87  72503 30343 341      43 242        s-trans-Propenoic acid
  252272.1792  0.0721 -5.1977 3  650.4841125  72503 303622141      622042        s-trans-Propenoic acid
  252329.0022  0.0174 -4.8345 3  301.5687 73  72503 303361917      361818        s-trans-Propenoic acid
  252329.0023  0.0174 -4.8345 3  301.5687 73  72503 303361918      361819        s-trans-Propenoic acid
  252332.9575  0.0788 -5.4979 3  823.5367147  72503 303731756      731657        s-trans-Propenoic acid
  252341.3215  0.0015 -4.4703 3  218.7962 73  72503 30336 432      35 531        s-trans-Propenoic acid
  252341.8323  0.0015 -3.9464 3  218.7962 73  72503 30336 532      35 531        s-trans-Propenoic acid
  252342.3365  0.0015 -3.9464 3  218.7961 73  72503 30336 432      35 431        s-trans-Propenoic acid
  252342.8474  0.0015 -4.4703 3  218.7961 73  72503 30336 532      35 431        s-trans-Propenoic acid
  252368.8825  0.0151 -5.7001 3  575.5605123  72503 303611249      611250        s-trans-Propenoic acid
  252377.8881  0.0151 -5.1409 3  575.5602123  72503 303611249      611150        s-trans-Propenoic acid
  252460.7370  0.0151 -5.1407 3  575.5605123  72503 303611349      611250        s-trans-Propenoic acid
  252469.7426  0.0151 -5.6997 3  575.5602123  72503 303611349      611150        s-trans-Propenoic acid
  252512.1078  0.0806 -6.1155 3  761.8020137  72503 303682247      672344        s-trans-Propenoic acid
  252526.6396  0.0706 -6.0341 3  717.8177133  72503 303662146      652243        s-trans-Propenoic acid
  252530.5200  0.0022 -4.1460 3  250.9261 67  72503 303331618      321617        s-trans-Propenoic acid
  252530.5226  0.0022 -4.1460 3  250.9261 67  72503 303331617      321616        s-trans-Propenoic acid
  252555.0626  0.0027 -4.6563 3  107.0771 33  72503 3031610 7      15 9 6        s-trans-Propenoic acid
  252555.1665  0.0027 -4.6563 3  107.0771 33  72503 3031610 6      15 9 7        s-trans-Propenoic acid
  252586.5514  0.0015 -4.5366 3  216.0741 71  72503 30335 530      34 629        s-trans-Propenoic acid
  252604.5528  0.0015 -3.9562 3  216.0741 71  72503 30335 630      34 629        s-trans-Propenoic acid
  252620.4304  0.0015 -3.9562 3  216.0730 71  72503 30335 530      34 529        s-trans-Propenoic acid
  252636.4794  0.0612 -5.9565 3  675.3074129  72503 303642045      632142        s-trans-Propenoic acid
  252638.4319  0.0015 -4.5365 3  216.0730 71  72503 30335 630      34 529        s-trans-Propenoic acid
  252656.2538  0.0015 -4.6245 3  212.7079 69  72503 30334 628      33 727        s-trans-Propenoic acid
  252656.7988  0.0915 -6.2001 3  807.2575141  72503 303702348      692445        s-trans-Propenoic acid
  252659.5758  0.0520 -5.8839 3  634.2754125  72503 303621944      612041        s-trans-Propenoic acid
  252751.2438  0.0711 -5.1961 3  650.4659125  72503 303622142      622043        s-trans-Propenoic acid
  252784.0145  0.0921 -6.1996 3  807.2573141  72503 303702347      692446        s-trans-Propenoic acid
  252794.6806  0.0176 -4.8364 3  292.3905 71  72503 303351916      351817        s-trans-Propenoic acid
  252794.6806  0.0176 -4.8364 3  292.3905 71  72503 303351917      351818        s-trans-Propenoic acid
  252825.8180  0.0818 -6.1143 3  761.8014137  72503 303682246      672345        s-trans-Propenoic acid
  252840.3124  1.0011 -6.4032 3 1341.8819187  72503 303932766      932667        s-trans-Propenoic acid
  252864.4208  0.0047 -5.5469 3  464.0672111  72503 30355 946      55 947        s-trans-Propenoic acid
  252864.5843  0.0047 -5.0348 3  464.0672111  72503 30355 946      55 847        s-trans-Propenoic acid
  252866.7889  0.0047 -5.0348 3  464.0672111  72503 303551046      55 947        s-trans-Propenoic acid
  252866.9523  0.0047 -5.5469 3  464.0672111  72503 303551046      55 847        s-trans-Propenoic acid
  252891.0723  0.0875 -5.5674 3  870.6498151  72503 303751957      751858        s-trans-Propenoic acid
  252924.0023  0.0383 -5.5858 3  457.2695105  72503 303521537      511636        s-trans-Propenoic acid
  252969.4667  0.1035 -6.2878 3  854.1817145  72503 303722449      712546        s-trans-Propenoic acid
  252987.1745  0.0221 -5.7546 3  534.9448115  72503 303571642      561739        s-trans-Propenoic acid
  253020.0112  0.1037 -6.2876 3  854.1816145  72503 303722448      712547        s-trans-Propenoic acid
  253021.6334  0.1619 -5.8506 3 1040.5736165  72503 303822261      822162        s-trans-Propenoic acid
  253072.4498  0.0015 -3.9640 3  212.7079 69  72503 30334 728      33 727        s-trans-Propenoic acid
  253076.8918  0.0103 -5.6400 3  537.1257119  72503 303591148      591149        s-trans-Propenoic acid
  253079.4472  0.0103 -5.0975 3  537.1256119  72503 303591148      591049        s-trans-Propenoic acid
  253094.1209  0.0081 -6.0050 3  234.8221 69  72503 303341223      341024        s-trans-Propenoic acid
  253106.0170  0.0103 -5.0974 3  537.1257119  72503 303591248      591149        s-trans-Propenoic acid
  253108.5724  0.0103 -5.6399 3  537.1256119  72503 303591248      591049        s-trans-Propenoic acid
  253125.8402  0.0015 -3.9718 3  208.6799 67  72503 30333 826      32 825        s-trans-Propenoic acid
  253149.6108  0.0019 -4.1134 3  243.9058 67  72503 303331519      321518        s-trans-Propenoic acid
  253149.6639  0.0019 -4.1134 3  243.9058 67  72503 303331518      321517        s-trans-Propenoic acid
  253214.6622  0.0187 -5.3609 3  340.1543 89  72503 303441232      431331        s-trans-Propenoic acid
  253216.7233  0.0068 -5.5889 3  499.9578115  72503 303571047      571048        s-trans-Propenoic acid
  253217.3966  0.0068 -5.0619 3  499.9577115  72503 303571047      57 948        s-trans-Propenoic acid
  253221.1175  0.0179 -4.8403 3  283.4749 69  72503 303341915      341816        s-trans-Propenoic acid
  253221.1175  0.0179 -4.8403 3  283.4749 69  72503 303341916      341817        s-trans-Propenoic acid
  253225.3431  0.0068 -5.0619 3  499.9578115  72503 303571147      571048        s-trans-Propenoic acid
  253226.0165  0.0068 -5.5888 3  499.9577115  72503 303571147      57 948        s-trans-Propenoic acid
  253263.8180  0.0049 -6.0406 3  196.1742 61  72503 303301119      30 922        s-trans-Propenoic acid
  253277.8643  0.0055 -5.9969 3  221.1951 67  72503 303331122      33 925        s-trans-Propenoic acid
  253282.2177  0.0732 -6.0314 3  717.8160133  72503 303662145      652244        s-trans-Propenoic acid
  253306.0133  0.0023 -4.7127 3  111.6204 37  72503 30318 910      17 8 9        s-trans-Propenoic acid
  253309.0929  0.0419 -5.9366 3  715.5719137  72503 303681553      681554        s-trans-Propenoic acid
  253330.3223  0.0016 -3.9633 3  194.2147 63  72503 30331 823      30 822        s-trans-Propenoic acid
  253333.6258  0.0023 -4.7126 3  111.6195 37  72503 30318 9 9      17 810        s-trans-Propenoic acid
  253343.6757  0.0034 -6.1965 3   88.4272 31  72503 30315 610      14 411        s-trans-Propenoic acid
  253348.2723  0.0067 -5.8603 3  191.7927 61  72503 303301020      30 723        s-trans-Propenoic acid
  253385.6497  0.0015 -3.9628 3  212.6835 69  72503 30334 628      33 627        s-trans-Propenoic acid
  253436.9797  0.1167 -6.3784 3  902.5726149  72503 303742550      732647        s-trans-Propenoic acid
  253456.7036  0.1168 -6.3784 3  902.5725149  72503 303742549      732648        s-trans-Propenoic acid
  253465.0693  0.0418 -5.3274 3  715.5667137  72503 303681553      681454        s-trans-Propenoic acid
  253514.3571  0.5149 -5.9777 3 1110.8659169  72503 303842559      842460        s-trans-Propenoic acid
  253564.3361  0.0295 -4.9755 3  492.7146105  72503 303522032      521933        s-trans-Propenoic acid
  253572.3143  0.0295 -4.9755 3  492.7143105  72503 303522033      521934        s-trans-Propenoic acid
  253610.9417  0.0181 -4.8462 3  274.8212 67  72503 303331914      331815        s-trans-Propenoic acid
  253610.9417  0.0181 -4.8462 3  274.8212 67  72503 303331915      331816        s-trans-Propenoic acid
  253697.8100  0.1144 -6.2643 3  890.2178153  72503 303761858      761859        s-trans-Propenoic acid
  253711.5554  0.0038 -5.4943 3  344.3739 97  72503 30348 543      48 544        s-trans-Propenoic acid
  253711.5555  0.0038 -5.0380 3  344.3739 97  72503 30348 543      48 444        s-trans-Propenoic acid
  253711.5580  0.0038 -5.0380 3  344.3739 97  72503 30348 643      48 544        s-trans-Propenoic acid
  253711.5581  0.0038 -5.4943 3  344.3739 97  72503 30348 643      48 444        s-trans-Propenoic acid
  253801.8456  0.0016 -4.6203 3  212.6835 69  72503 30334 728      33 627        s-trans-Propenoic acid
  253807.9035  0.0023 -4.7969 3  117.8087 41  72503 30320 812      19 713        s-trans-Propenoic acid
  253923.7356  0.0016 -4.0829 3  237.3839 67  72503 303331420      321419        s-trans-Propenoic acid
  253924.6250  0.0016 -4.0829 3  237.3840 67  72503 303331419      321418        s-trans-Propenoic acid
  253966.6173  0.0184 -4.8545 3  266.4286 65  72503 303321913      321814        s-trans-Propenoic acid
  253966.6173  0.0184 -4.8545 3  266.4286 65  72503 303321914      321815        s-trans-Propenoic acid
  254048.2693  0.2033 -5.9381 3 1093.0742169  72503 303842362      842263        s-trans-Propenoic acid
  254108.5272  0.0017 -3.9935 3  208.4034 65  72503 303321022      311021        s-trans-Propenoic acid
  254239.5367  0.1275 -5.3963 3  779.7890139  72503 303692248      692149        s-trans-Propenoic acid
  254251.1423  0.1144 -6.3452 3  918.7846155  72503 303772058      771859        s-trans-Propenoic acid
  254290.4598  0.0187 -4.8654 3  258.2966 63  72503 303311912      311813        s-trans-Propenoic acid
  254290.4598  0.0187 -4.8654 3  258.2966 63  72503 303311913      311814        s-trans-Propenoic acid
  254330.1388  0.1342 -5.7609 3  989.2701161  72503 303802160      802061        s-trans-Propenoic acid
  254371.8820  0.2061 -5.6356 3  922.7554153  72503 303762354      762255        s-trans-Propenoic acid
  254406.5219  0.0663 -5.9501 3  675.3033129  72503 303642044      632143        s-trans-Propenoic acid
  254444.1738  0.1018 -6.0564 3  556.5428117  72503 303581742      581543        s-trans-Propenoic acid
  254513.1488  0.0408 -5.3239 3  715.5719137  72503 303681653      681554        s-trans-Propenoic acid
  254584.6492  0.0190 -4.8792 3  250.4245 61  72503 303301911      301812        s-trans-Propenoic acid
  254584.6492  0.0190 -4.8792 3  250.4245 61  72503 303301912      301813        s-trans-Propenoic acid
  254593.4530  0.2159 -5.5714 3  883.0990149  72503 303742351      742252        s-trans-Propenoic acid
  254669.1252  0.0408 -5.9322 3  715.5667137  72503 303681653      681454        s-trans-Propenoic acid
  254694.2132  0.0880 -6.2341 3  870.5897151  72503 303751957      751758        s-trans-Propenoic acid
  254720.3520  0.1622 -6.3946 3  959.5701159  72503 303791960      791961        s-trans-Propenoic acid
  254807.7287  0.1086 -5.6018 3  890.1808153  72503 303761858      761759        s-trans-Propenoic acid
  254810.9392  0.0026 -4.9602 3  120.1250 43  72503 30321 714      20 615        s-trans-Propenoic acid
  254811.2629  0.0659 -5.1671 3  634.2754123  72503 303612140      612041        s-trans-Propenoic acid
  254851.2421  0.0193 -4.8963 3  242.8118 59  72503 303291910      291811        s-trans-Propenoic acid
  254851.2421  0.0193 -4.8963 3  242.8118 59  72503 303291911      291812        s-trans-Propenoic acid
  254916.9051  0.0014 -4.0541 3  231.3737 67  72503 303331321      321320        s-trans-Propenoic acid
  254928.9867  0.0014 -4.0540 3  231.3740 67  72503 303331320      321319        s-trans-Propenoic acid
  254937.4478  0.0062 -5.7619 3  208.3757 65  72503 303321022      32 725        s-trans-Propenoic acid
  254945.1662  0.0275 -4.9565 3  479.2654103  72503 303512031      511932        s-trans-Propenoic acid
  254949.1012  0.0275 -4.9565 3  479.2652103  72503 303512032      511933        s-trans-Propenoic acid
  255035.4998  0.3898 -6.1157 3 1183.5524177  72503 303882266      882167        s-trans-Propenoic acid
  255059.1979  0.0047 -6.0659 3  188.3436 59  72503 303291118      29 921        s-trans-Propenoic acid
  255081.4359  0.0654 -5.1662 3  634.2652123  72503 303612141      612042        s-trans-Propenoic acid
  255092.1812  0.0195 -4.9173 3  235.4580 57  72503 3032819 9      281810        s-trans-Propenoic acid
  255092.1812  0.0195 -4.9173 3  235.4580 57  72503 303281910      281811        s-trans-Propenoic acid
  255119.9016  0.0047 -5.1518 3  295.5991 91  72503 30345 342      45 243        s-trans-Propenoic acid
  255119.9016  0.0047 -5.5829 3  295.5991 91  72503 30345 342      45 343        s-trans-Propenoic acid
  255119.9016  0.0047 -5.5829 3  295.5991 91  72503 30345 442      45 243        s-trans-Propenoic acid
  255119.9016  0.0047 -5.1518 3  295.5991 91  72503 30345 442      45 343        s-trans-Propenoic acid
  255309.3046  0.0198 -4.9428 3  228.3624 55  72503 3032719 8      2718 9        s-trans-Propenoic acid
  255309.3046  0.0198 -4.9428 3  228.3624 55  72503 3032719 9      271810        s-trans-Propenoic acid
  255337.8127  0.0072 -5.5300 3  249.9066 85  72503 30342 141      42 042        s-trans-Propenoic acid
  255337.8127  0.0072 -5.9379 3  249.9066 85  72503 30342 141      42 142        s-trans-Propenoic acid
  255337.8127  0.0072 -5.9379 3  249.9066 85  72503 30342 241      42 042        s-trans-Propenoic acid
  255337.8127  0.0072 -5.5300 3  249.9066 85  72503 30342 241      42 142        s-trans-Propenoic acid
  255359.0422  0.1247 -5.3655 3  761.7169137  72503 303682246      682147        s-trans-Propenoic acid
  255448.4446  0.0231 -5.9573 3  348.6006 89  72503 303441431      441232        s-trans-Propenoic acid
  255504.3530  0.0201 -4.9740 3  221.5247 53  72503 3032619 7      2618 8        s-trans-Propenoic acid
  255504.3530  0.0201 -4.9740 3  221.5247 53  72503 3032619 8      2618 9        s-trans-Propenoic acid
  255536.8418  0.3349 -5.7615 3  993.4064159  72503 303792455      792356        s-trans-Propenoic acid
  255665.0564  0.0037 -5.4867 3  375.6838101  72503 30350 644      50 645        s-trans-Propenoic acid
  255665.0570  0.0037 -5.0178 3  375.6838101  72503 30350 644      50 545        s-trans-Propenoic acid
  255665.0708  0.0037 -5.0178 3  375.6838101  72503 30350 744      50 645        s-trans-Propenoic acid
  255665.0714  0.0037 -5.4867 3  375.6838101  72503 30350 744      50 545        s-trans-Propenoic acid
  255678.9762  0.0204 -5.0121 3  214.9442 51  72503 3032519 6      2518 7        s-trans-Propenoic acid
  255678.9762  0.0204 -5.0121 3  214.9442 51  72503 3032519 7      2518 8        s-trans-Propenoic acid
  255768.7910  0.0046 -6.1389 3  173.6066 55  72503 303271117      27 918        s-trans-Propenoic acid
  255834.7392  0.0207 -5.0593 3  208.6206 49  72503 3032419 5      2418 6        s-trans-Propenoic acid
  255834.7392  0.0207 -5.0593 3  208.6206 49  72503 3032419 6      2418 7        s-trans-Propenoic acid
  255918.9394  0.0017 -4.7268 3  217.1233 69  72503 30334 727      33 826        s-trans-Propenoic acid
  255944.0822  0.1306 -6.2856 3  688.1911133  72503 303661750      651847        s-trans-Propenoic acid
  255973.1268  0.0210 -5.1188 3  202.5534 47  72503 3032319 4      2318 5        s-trans-Propenoic acid
  255973.1268  0.0210 -5.1188 3  202.5534 47  72503 3032319 5      2318 6        s-trans-Propenoic acid
  256017.9587  0.0096 -5.1484 3  276.6742 79  72503 303391029      381128        s-trans-Propenoic acid
  256095.5476  0.0213 -5.1961 3  196.7422 45  72503 3032219 3      2218 4        s-trans-Propenoic acid
  256095.5476  0.0213 -5.1961 3  196.7422 45  72503 3032219 4      2218 5        s-trans-Propenoic acid
  256203.3382  0.0215 -5.3012 3  191.1865 43  72503 3032119 2      2118 3        s-trans-Propenoic acid
  256203.3382  0.0215 -5.3012 3  191.1865 43  72503 3032119 3      2118 4        s-trans-Propenoic acid
  256206.1029  0.0014 -4.0267 3  225.8950 67  72503 303331222      321221        s-trans-Propenoic acid
  256213.0140  0.0706 -5.4852 3  823.5602147  72503 303731856      731757        s-trans-Propenoic acid
  256223.8841  0.0259 -4.9387 3  466.0918101  72503 303502030      501931        s-trans-Propenoic acid
  256225.7855  0.0259 -4.9387 3  466.0917101  72503 303502031      501932        s-trans-Propenoic acid
  256297.7658  0.0218 -5.4574 3  185.8860 41  72503 3032019 1      2018 2        s-trans-Propenoic acid
  256297.7658  0.0218 -5.4574 3  185.8860 41  72503 3032019 2      2018 3        s-trans-Propenoic acid
  256301.4564  0.0308 -5.8494 3  672.7631133  72503 303661452      661453        s-trans-Propenoic acid
  256335.3157  0.0014 -4.0262 3  225.8992 67  72503 303331221      321220        s-trans-Propenoic acid
  256347.0561  0.2802 -5.9441 3 1101.5484169  72503 303842461      842362        s-trans-Propenoic acid
  256353.9661  0.0308 -5.2604 3  672.7614133  72503 303661452      661353        s-trans-Propenoic acid
  256380.0312  0.0221 -5.7383 3  180.8403 39  72503 3031919 0      1918 1        s-trans-Propenoic acid
  256380.0312  0.0221 -5.7383 3  180.8403 39  72503 3031919 1      1918 2        s-trans-Propenoic acid
  256385.1298  0.2274 -6.3167 3  819.7752145  72503 303722053      721854        s-trans-Propenoic acid
  256404.3074  0.0017 -3.9589 3  208.3757 67  72503 30333 726      32 725        s-trans-Propenoic acid
  256440.1673  0.1498 -5.7154 3  959.5127159  72503 303791960      791861        s-trans-Propenoic acid
  256489.7336  0.0058 -5.9977 3  230.0206 69  72503 303341123      34 926        s-trans-Propenoic acid
  256620.8568  0.0070 -6.1193 3  217.1233 67  72503 303331023      33 826        s-trans-Propenoic acid
  256625.5599  0.0132 -5.6565 3  451.0245 69  72503 3033433 1      3333 0        s-trans-Propenoic acid
  256625.5599  0.0132 -5.6565 3  451.0245 69  72503 3033433 2      3333 1        s-trans-Propenoic acid
  256652.6105  0.0128 -5.9652 3  288.1234 79  72503 303391327      391128        s-trans-Propenoic acid
  256666.1644  0.2854 -5.9722 3 1106.2077171  72503 303852164      852065        s-trans-Propenoic acid
  256668.9869  0.0618 -5.8693 3  634.2652125  72503 303621943      612042        s-trans-Propenoic acid
  256689.2846  0.2740 -5.9839 3 1124.0530171  72503 303852462      852363        s-trans-Propenoic acid
  256716.2500  0.0123 -5.3304 3  436.0199 69  72503 3033432 2      3332 1        s-trans-Propenoic acid
  256716.2500  0.0123 -5.3304 3  436.0199 69  72503 3033432 3      3332 2        s-trans-Propenoic acid
  256751.5217  0.0306 -5.2591 3  672.7631133  72503 303661552      661453        s-trans-Propenoic acid
  256804.0314  0.0306 -5.8478 3  672.7614133  72503 303661552      661353        s-trans-Propenoic acid
  256812.8204  0.0115 -5.1304 3  421.4783 69  72503 3033431 3      3331 2        s-trans-Propenoic acid
  256812.8204  0.0115 -5.1304 3  421.4783 69  72503 3033431 4      3331 3        s-trans-Propenoic acid
  256916.1765  0.0107 -4.9825 3  407.3999 69  72503 3033430 4      3330 3        s-trans-Propenoic acid
  256916.1765  0.0107 -4.9825 3  407.3999 69  72503 3033430 5      3330 4        s-trans-Propenoic acid
  256916.4744  0.0704 -6.1280 3  823.5367147  72503 303731856      731657        s-trans-Propenoic acid
  256966.5547  0.2837 -5.9027 3 1079.2950167  72503 303832460      832361        s-trans-Propenoic acid
  257027.3858  0.0099 -4.8637 3  393.7851 69  72503 3033429 5      3329 4        s-trans-Propenoic acid
  257027.3858  0.0099 -4.8637 3  393.7851 69  72503 3033429 6      3329 5        s-trans-Propenoic acid
  257100.3311  0.1121 -5.6711 3  939.1516157  72503 303782059      781960        s-trans-Propenoic acid
  257101.5494  0.2070 -5.8388 3 1031.5246165  72503 303822062      821963        s-trans-Propenoic acid
  257108.9731  0.0604 -5.1381 3  618.3571121  72503 303602139      602040        s-trans-Propenoic acid
  257139.6228  0.1186 -5.3596 3  761.6477137  72503 303682247      682148        s-trans-Propenoic acid
  257147.7140  0.0091 -4.7637 3  380.6345 69  72503 3033428 6      3328 5        s-trans-Propenoic acid
  257147.7140  0.0091 -4.7637 3  380.6345 69  72503 3033428 7      3328 6        s-trans-Propenoic acid
  257223.8517  0.0044 -6.0954 3  180.7781 57  72503 303281117      28 920        s-trans-Propenoic acid
  257258.5417  0.0601 -5.1376 3  618.3515121  72503 303602140      602041        s-trans-Propenoic acid
  257269.7671  0.1969 -5.5939 3  902.6681151  72503 303752353      752254        s-trans-Propenoic acid
  257278.6719  0.0084 -4.6769 3  367.9484 69  72503 3033427 7      3327 6        s-trans-Propenoic acid
  257278.6719  0.0084 -4.6769 3  367.9484 69  72503 3033427 8      3327 7        s-trans-Propenoic acid
  257285.3092  0.0037 -5.4952 3  408.3096105  72503 30352 745      52 746        s-trans-Propenoic acid
  257285.3128  0.0037 -5.0135 3  408.3096105  72503 30352 745      52 646        s-trans-Propenoic acid
  257285.3802  0.0037 -5.0135 3  408.3096105  72503 30352 845      52 746        s-trans-Propenoic acid
  257285.3838  0.0037 -5.4952 3  408.3096105  72503 30352 845      52 646        s-trans-Propenoic acid
  257409.0355  0.0245 -4.9221 3  453.1925 99  72503 303492029      491930        s-trans-Propenoic acid
  257409.9351  0.0245 -4.9221 3  453.1925 99  72503 303492030      491931        s-trans-Propenoic acid
  257422.0754  0.0076 -4.6002 3  355.7274 69  72503 3033426 8      3326 7        s-trans-Propenoic acid
  257422.0754  0.0076 -4.6002 3  355.7274 69  72503 3033426 9      3326 8        s-trans-Propenoic acid
  257451.2223  0.0580 -6.0354 3  777.6708143  72503 303711655      711656        s-trans-Propenoic acid
  257461.7471  0.0015 -3.9691 3  212.6071 67  72503 30333 925      32 924        s-trans-Propenoic acid
  257556.8589  0.0024 -4.8017 3  123.0938 43  72503 30321 814      20 713        s-trans-Propenoic acid
  257564.8788  0.0035 -4.8636 3  230.0206 71  72503 30335 827      34 926        s-trans-Propenoic acid
  257580.1248  0.0070 -4.5313 3  343.9723 69  72503 3033425 9      3325 8        s-trans-Propenoic acid
  257580.1248  0.0070 -4.5313 3  343.9723 69  72503 303342510      3325 9        s-trans-Propenoic acid
  257635.6147  0.0216 -5.7906 3  550.0840117  72503 303581643      571740        s-trans-Propenoic acid
  257656.9221  0.0392 -5.9335 3  581.4098121  72503 303601645      591742        s-trans-Propenoic acid
  257703.3844  0.0036 -6.2135 3   89.9389 33  72503 30316 512      15 313        s-trans-Propenoic acid
  257709.7007  0.0042 -5.0801 3  324.8748 95  72503 30347 443      47 344        s-trans-Propenoic acid
  257709.7007  0.0042 -5.5229 3  324.8748 95  72503 30347 443      47 444        s-trans-Propenoic acid
  257709.7009  0.0042 -5.5229 3  324.8748 95  72503 30347 543      47 344        s-trans-Propenoic acid
  257709.7009  0.0042 -5.0801 3  324.8748 95  72503 30347 543      47 444        s-trans-Propenoic acid
  257710.7997  0.0576 -5.4130 3  777.6622143  72503 303711655      711556        s-trans-Propenoic acid
  257725.2019  0.0014 -4.0009 3  220.9711 67  72503 303331123      321122        s-trans-Propenoic acid
  257743.1537  0.0045 -4.5506 3  105.6625 27  72503 3031312 1      1211 2        s-trans-Propenoic acid
  257743.1537  0.0045 -4.5506 3  105.6625 27  72503 3031312 2      1211 1        s-trans-Propenoic acid
  257755.5083  0.0063 -4.4689 3  332.6837 69  72503 303342410      3324 9        s-trans-Propenoic acid
  257755.5083  0.0063 -4.4689 3  332.6837 69  72503 303342411      332410        s-trans-Propenoic acid
  257932.3271  0.1932 -6.2110 3  719.8491135  72503 303671949      671750        s-trans-Propenoic acid
  257951.5426  0.0057 -4.4119 3  321.8626 69  72503 303342311      332310        s-trans-Propenoic acid
  257951.5426  0.0057 -4.4119 3  321.8626 69  72503 303342312      332311        s-trans-Propenoic acid
  258090.3044  0.2668 -6.0218 3 1146.7986173  72503 303862463      862364        s-trans-Propenoic acid
  258172.3632  0.0051 -4.3595 3  311.5102 69  72503 303342212      332211        s-trans-Propenoic acid
  258172.3632  0.0051 -4.3595 3  311.5102 69  72503 303342213      332212        s-trans-Propenoic acid
  258224.5504  0.0223 -5.7721 3  631.1890129  72503 303641351      641352        s-trans-Propenoic acid
  258241.1996  0.0224 -5.2013 3  631.1884129  72503 303641351      641252        s-trans-Propenoic acid
  258357.3238  0.0073 -5.9505 3  183.7705 59  72503 303291019      29 722        s-trans-Propenoic acid
  258381.0443  0.0019 -3.8943 3  231.9453 81  72503 30340 139      39 138        s-trans-Propenoic acid
  258381.0443  0.0019 -4.3081 3  231.9453 81  72503 30340 139      39 238        s-trans-Propenoic acid
  258381.0443  0.0019 -4.3081 3  231.9453 81  72503 30340 239      39 138        s-trans-Propenoic acid
  258381.0443  0.0019 -3.8943 3  231.9453 81  72503 30340 239      39 238        s-trans-Propenoic acid
  258381.5773  0.0021 -3.8803 3  232.4618 83  72503 30341 041      40 040        s-trans-Propenoic acid
  258381.5773  0.0021 -4.2695 3  232.4618 83  72503 30341 041      40 140        s-trans-Propenoic acid
  258381.5773  0.0021 -4.2695 3  232.4618 83  72503 30341 141      40 040        s-trans-Propenoic acid
  258381.5773  0.0021 -3.8803 3  232.4618 83  72503 30341 141      40 140        s-trans-Propenoic acid
  258382.9156  0.0223 -5.2009 3  631.1890129  72503 303641451      641352        s-trans-Propenoic acid
  258393.6289  0.0017 -4.3499 3  230.9093 79  72503 30339 237      38 336        s-trans-Propenoic acid
  258393.6290  0.0017 -3.9074 3  230.9093 79  72503 30339 237      38 236        s-trans-Propenoic acid
  258393.6290  0.0017 -3.9074 3  230.9093 79  72503 30339 337      38 336        s-trans-Propenoic acid
  258393.6291  0.0017 -4.3499 3  230.9093 79  72503 30339 337      38 236        s-trans-Propenoic acid
  258399.5649  0.0223 -5.7715 3  631.1884129  72503 303641451      641252        s-trans-Propenoic acid
  258411.2381  0.2043 -5.9682 3 1115.4333171  72503 303852363      852264        s-trans-Propenoic acid
  258411.7284  0.2836 -5.8599 3 1057.3026165  72503 303822459      822360        s-trans-Propenoic acid
  258423.1903  0.0045 -4.3111 3  301.6278 69  72503 303342113      332112        s-trans-Propenoic acid
  258423.1903  0.0045 -4.3111 3  301.6278 69  72503 303342114      332113        s-trans-Propenoic acid
  258437.8273  0.0016 -4.3964 3  229.3390 77  72503 30338 335      37 434        s-trans-Propenoic acid
  258437.8319  0.0016 -3.9197 3  229.3390 77  72503 30338 435      37 434        s-trans-Propenoic acid
  258437.8369  0.0016 -3.9197 3  229.3390 77  72503 30338 335      37 334        s-trans-Propenoic acid
  258437.8415  0.0016 -4.3964 3  229.3390 77  72503 30338 435      37 334        s-trans-Propenoic acid
  258479.2816  0.0058 -5.2768 3  277.1135 89  72503 30344 242      44 143        s-trans-Propenoic acid
  258479.2816  0.0058 -5.6958 3  277.1135 89  72503 30344 242      44 243        s-trans-Propenoic acid
  258479.2816  0.0058 -5.6958 3  277.1135 89  72503 30344 342      44 143        s-trans-Propenoic acid
  258479.2816  0.0058 -5.2768 3  277.1135 89  72503 30344 342      44 243        s-trans-Propenoic acid
  258508.0220  0.0233 -4.9067 3  440.5663 97  72503 303482028      481929        s-trans-Propenoic acid
  258508.4385  0.0233 -4.9067 3  440.5663 97  72503 303482029      481930        s-trans-Propenoic acid
  258547.3855  0.0015 -4.4493 3  227.2134 75  72503 30337 433      36 532        s-trans-Propenoic acid
  258547.6410  0.0015 -3.9307 3  227.2134 75  72503 30337 533      36 532        s-trans-Propenoic acid
  258547.8963  0.0015 -3.9307 3  227.2134 75  72503 30337 433      36 432        s-trans-Propenoic acid
  258548.1518  0.0015 -4.4493 3  227.2134 75  72503 30337 533      36 432        s-trans-Propenoic acid
  258549.7119  0.0039 -5.5168 3  442.2424109  72503 30354 846      54 847        s-trans-Propenoic acid
  258549.7303  0.0039 -5.0219 3  442.2424109  72503 30354 846      54 747        s-trans-Propenoic acid
  258550.0258  0.0039 -5.0219 3  442.2424109  72503 30354 946      54 847        s-trans-Propenoic acid
  258550.0442  0.0039 -5.5168 3  442.2424109  72503 30354 946      54 747        s-trans-Propenoic acid
  258706.6962  0.0014 -3.9797 3  216.5918 67  72503 303331024      321023        s-trans-Propenoic acid
  258710.7065  0.0040 -4.2663 3  292.2172 69  72503 303342014      332013        s-trans-Propenoic acid
  258710.7065  0.0040 -4.2663 3  292.2172 69  72503 303342015      332014        s-trans-Propenoic acid
  258735.5602  0.0048 -6.0831 3   87.3680 33  72503 30316 313      15 214        s-trans-Propenoic acid
  258754.1011  0.0015 -3.9975 3  221.0125 67  72503 303331122      321121        s-trans-Propenoic acid
  258778.2677  0.0015 -4.5121 3  224.5001 73  72503 30336 531      35 630        s-trans-Propenoic acid
  258787.7474  0.0015 -3.9402 3  224.5001 73  72503 30336 631      35 630        s-trans-Propenoic acid
  258796.2691  0.0015 -3.9402 3  224.4995 73  72503 30336 531      35 530        s-trans-Propenoic acid
  258805.7488  0.0015 -4.5120 3  224.4995 73  72503 30336 631      35 530        s-trans-Propenoic acid
  258873.1533  0.1133 -5.3276 3  743.8394135  72503 303672245      672146        s-trans-Propenoic acid
  258914.1096  0.1680 -5.8756 3 1062.2951167  72503 303832262      832163        s-trans-Propenoic acid
  258960.6120  0.0033 -4.5929 3  107.6413 31  72503 3031511 5      1410 4        s-trans-Propenoic acid
  258960.6125  0.0033 -4.5929 3  107.6413 31  72503 3031511 4      1410 5        s-trans-Propenoic acid
  259007.4006  0.0015 -4.5929 3  221.1495 71  72503 30335 629      34 728        s-trans-Propenoic acid
  259014.7060  0.0036 -5.8779 3   89.8952 33  72503 30316 512      15 213        s-trans-Propenoic acid
  259043.6076  0.0034 -4.2248 3  283.2807 69  72503 303341915      331914        s-trans-Propenoic acid
  259043.6076  0.0034 -4.2248 3  283.2807 69  72503 303341916      331915        s-trans-Propenoic acid
  259205.5308  0.0555 -5.1105 3  602.7260119  72503 303592138      592039        s-trans-Propenoic acid
  259241.5416  0.0015 -3.9477 3  221.1495 71  72503 30335 729      34 728        s-trans-Propenoic acid
  259286.8276  0.0553 -5.1103 3  602.7230119  72503 303592139      592040        s-trans-Propenoic acid
  259314.4228  0.6828 -6.1447 3 1211.5310177  72503 303882662      882563        s-trans-Propenoic acid
  259336.2514  0.0555 -5.4078 3  777.6708143  72503 303711755      711656        s-trans-Propenoic acid
  259368.9976  0.0158 -5.7035 3  590.8618125  72503 303621250      621251        s-trans-Propenoic acid
  259373.9530  0.0158 -5.1497 3  590.8616125  72503 303621250      621151        s-trans-Propenoic acid
  259404.2198  0.0086 -6.2976 3  152.3359 53  72503 30326 719      26 422        s-trans-Propenoic acid
  259411.3537  0.0263 -5.8489 3  565.5680119  72503 303591644      581741        s-trans-Propenoic acid
  259421.3917  0.0158 -5.1495 3  590.8618125  72503 303621350      621251        s-trans-Propenoic acid
  259423.5965  0.0015 -3.9470 3  221.1356 71  72503 30335 629      34 628        s-trans-Propenoic acid
  259426.3471  0.0158 -5.7033 3  590.8616125  72503 303621350      621151        s-trans-Propenoic acid
  259430.6637  0.0049 -5.5495 3  477.4735113  72503 30356 947      56 948        s-trans-Propenoic acid
  259430.7484  0.0049 -5.0408 3  477.4735113  72503 30356 947      56 848        s-trans-Propenoic acid
  259431.9303  0.0049 -5.0408 3  477.4735113  72503 303561047      56 948        s-trans-Propenoic acid
  259432.0150  0.0049 -5.5495 3  477.4735113  72503 303561047      56 848        s-trans-Propenoic acid
  259433.4317  0.0030 -4.1861 3  274.8212 69  72503 303341817      331816        s-trans-Propenoic acid
  259433.4318  0.0030 -4.1861 3  274.8212 69  72503 303341816      331815        s-trans-Propenoic acid
  259527.3562  0.0224 -4.8925 3  428.2121 95  72503 303472027      471928        s-trans-Propenoic acid
  259527.5448  0.0224 -4.8925 3  428.2121 95  72503 303472028      471929        s-trans-Propenoic acid
  259539.2786  0.0042 -6.1290 3  173.4820 55  72503 303271116      27 919        s-trans-Propenoic acid
  259552.1802  0.0015 -3.9542 3  217.1233 69  72503 30334 827      33 826        s-trans-Propenoic acid
  259595.8288  0.0555 -6.0286 3  777.6622143  72503 303711755      711556        s-trans-Propenoic acid
  259603.5179  0.0081 -6.2883 3  196.4449 63  72503 30331 922      31 725        s-trans-Propenoic acid
  259657.7375  0.0016 -4.5906 3  221.1356 71  72503 30335 729      34 628        s-trans-Propenoic acid
  259708.3891  0.0038 -4.7989 3  191.7927 63  72503 30331 824      30 723        s-trans-Propenoic acid
  259741.3284  0.0332 -5.7678 3  571.9353119  72503 303591743      581840        s-trans-Propenoic acid
  259777.5779  0.0042 -6.1725 3  166.5268 53  72503 303261116      26 917        s-trans-Propenoic acid
  259818.4443  0.1928 -5.5238 3  863.5057147  72503 303732350      732251        s-trans-Propenoic acid
  259857.2587  0.1147 -6.3516 3  939.0596157  72503 303782059      781860        s-trans-Propenoic acid
  259893.6661  0.0072 -5.5920 3  513.9936117  72503 303581048      581049        s-trans-Propenoic acid
  259893.8543  0.0108 -5.6434 3  551.7931121  72503 303601149      601150        s-trans-Propenoic acid
  259894.0221  0.0072 -5.0690 3  513.9936117  72503 303581048      58 949        s-trans-Propenoic acid
  259895.2325  0.0108 -5.1055 3  551.7930121  72503 303601149      601050        s-trans-Propenoic acid
  259895.8571  0.0025 -4.1501 3  266.8424 69  72503 303341718      331717        s-trans-Propenoic acid
  259895.8574  0.0025 -4.1501 3  266.8424 69  72503 303341717      331716        s-trans-Propenoic acid
  259898.3749  0.0072 -5.0690 3  513.9936117  72503 303581148      581049        s-trans-Propenoic acid
  259898.7309  0.0072 -5.5919 3  513.9936117  72503 303581148      58 949        s-trans-Propenoic acid
  259910.1086  0.0108 -5.1054 3  551.7931121  72503 303601249      601150        s-trans-Propenoic acid
  259911.4868  0.0108 -5.6434 3  551.7930121  72503 303601249      601050        s-trans-Propenoic acid
  259931.1289  0.1099 -5.3241 3  743.7986135  72503 303672246      672147        s-trans-Propenoic acid
  260009.5853  0.0039 -5.4947 3  355.4838 99  72503 30349 544      49 545        s-trans-Propenoic acid
  260009.5854  0.0039 -5.0400 3  355.4838 99  72503 30349 544      49 445        s-trans-Propenoic acid
  260009.5866  0.0039 -5.4947 3  355.4838 99  72503 30349 644      49 445        s-trans-Propenoic acid
  260009.5866  0.0039 -5.0400 3  355.4838 99  72503 30349 644      49 545        s-trans-Propenoic acid
  260030.9687  0.0026 -4.6395 3  111.1462 35  72503 3031710 8      16 9 7        s-trans-Propenoic acid
  260031.3370  0.0026 -4.6395 3  111.1462 35  72503 3031710 7      16 9 8        s-trans-Propenoic acid
  260304.6104  0.0033 -4.7634 3  199.9971 65  72503 30332 825      31 724        s-trans-Propenoic acid
  260318.3142  0.1864 -5.5527 3  882.8700149  72503 303742352      742253        s-trans-Propenoic acid
  260349.1989  0.0052 -5.5078 3  104.9380 39  72503 30319 514      18 415        s-trans-Propenoic acid
  260393.5787  0.0043 -4.8309 3  183.7705 61  72503 30330 823      29 722        s-trans-Propenoic acid
  260418.7645  0.0485 -5.6393 3  505.5696111  72503 303551639      541738        s-trans-Propenoic acid
  260421.4980  0.0262 -5.4155 3  380.9957 95  72503 303471334      461433        s-trans-Propenoic acid
  260452.8282  0.0022 -4.1164 3  259.3496 69  72503 303341619      331618        s-trans-Propenoic acid
  260452.8351  0.0022 -4.1164 3  259.3496 69  72503 303341618      331617        s-trans-Propenoic acid
  260472.8389  0.0218 -4.8795 3  416.1286 93  72503 303462026      461927        s-trans-Propenoic acid
  260472.9224  0.0218 -4.8795 3  416.1286 93  72503 303462027      461928        s-trans-Propenoic acid
  260481.0562  0.0016 -3.9432 3  202.6649 65  72503 30332 824      31 823        s-trans-Propenoic acid
  260501.1484  0.0921 -5.5835 3  890.2178153  72503 303761958      761859        s-trans-Propenoic acid
  260522.3249  0.2796 -5.8162 3 1035.5803163  72503 303812458      812359        s-trans-Propenoic acid
  260552.4900  0.0019 -3.9534 3  205.1043 65  72503 30332 923      31 922        s-trans-Propenoic acid
  260582.0761  0.0023 -4.6995 3  116.2349 39  72503 30319 911      18 810        s-trans-Propenoic acid
  260597.3799  0.2607 -6.0577 3 1169.7754175  72503 303872464      872365        s-trans-Propenoic acid
  260652.2019  0.0023 -4.6993 3  116.2328 39  72503 30319 910      18 811        s-trans-Propenoic acid
  260725.4701  0.0062 -4.9898 3  252.6737 75  72503 30337 928      361027        s-trans-Propenoic acid
  260894.7558  0.0599 -5.7865 3  594.7034121  72503 303601842      591941        s-trans-Propenoic acid
  261009.1467  0.0795 -6.1438 3  842.4762149  72503 303741757      741758        s-trans-Propenoic acid
  261130.2696  0.0510 -5.0843 3  587.3796117  72503 303582137      582038        s-trans-Propenoic acid
  261136.2298  0.0018 -4.0848 3  252.3500 69  72503 303341520      331519        s-trans-Propenoic acid
  261136.3595  0.0018 -4.0848 3  252.3500 69  72503 303341519      331518        s-trans-Propenoic acid
  261173.6574  0.0510 -5.0842 3  587.3780117  72503 303582138      582039        s-trans-Propenoic acid
  261194.7670  0.0662 -6.0043 3  476.1467107  72503 303531638      531439        s-trans-Propenoic acid
  261247.4518  0.0431 -5.9393 3  732.9941139  72503 303691554      691555        s-trans-Propenoic acid
  261281.3967  0.1413 -5.7820 3 1010.3424163  72503 303812161      812062        s-trans-Propenoic acid
  261338.0556  0.0430 -5.3381 3  732.9911139  72503 303691554      691455        s-trans-Propenoic acid
  261349.6862  0.0213 -4.8678 3  404.3150 91  72503 303452025      451926        s-trans-Propenoic acid
  261349.7222  0.0213 -4.8678 3  404.3150 91  72503 303452026      451927        s-trans-Propenoic acid
  261360.7034  0.0048 -5.1519 3  305.6702 93  72503 30346 343      46 244        s-trans-Propenoic acid
  261360.7034  0.0048 -5.5821 3  305.6702 93  72503 30346 343      46 344        s-trans-Propenoic acid
  261360.7034  0.0048 -5.5821 3  305.6702 93  72503 30346 443      46 244        s-trans-Propenoic acid
  261360.7034  0.0048 -5.1519 3  305.6702 93  72503 30346 443      46 344        s-trans-Propenoic acid
  261432.0890  0.0783 -5.5079 3  842.4621149  72503 303741757      741658        s-trans-Propenoic acid
  261459.2913  0.0023 -4.7929 3  122.9864 43  72503 30321 813      20 714        s-trans-Propenoic acid
  261556.6236  0.0074 -5.5281 3  258.9403 87  72503 30343 142      43 043        s-trans-Propenoic acid
  261556.6236  0.0074 -5.9357 3  258.9403 87  72503 30343 142      43 143        s-trans-Propenoic acid
  261556.6236  0.0074 -5.9357 3  258.9403 87  72503 30343 242      43 043        s-trans-Propenoic acid
  261556.6236  0.0074 -5.5281 3  258.9403 87  72503 30343 242      43 143        s-trans-Propenoic acid
  261611.0671  0.0920 -6.2396 3  890.1808153  72503 303761958      761759        s-trans-Propenoic acid
  261732.9531  0.0078 -5.8994 3  196.3739 63  72503 30331 922      31 625        s-trans-Propenoic acid
  261759.7621  0.0017 -3.9459 3  216.9285 69  72503 30334 727      33 726        s-trans-Propenoic acid
  261847.3761  0.0041 -6.1669 3  166.4582 53  72503 303261115      26 918        s-trans-Propenoic acid
  261968.2452  0.1035 -5.2918 3  726.2646133  72503 303662244      662145        s-trans-Propenoic acid
  261976.9547  0.0427 -5.3361 3  732.9941139  72503 303691654      691555        s-trans-Propenoic acid
  261994.2604  0.0016 -4.0552 3  245.8539 69  72503 303341421      331420        s-trans-Propenoic acid
  261996.2654  0.0016 -4.0552 3  245.8540 69  72503 303341420      331419        s-trans-Propenoic acid
  262004.9234  0.0039 -5.4881 3  387.4178103  72503 30351 645      51 646        s-trans-Propenoic acid
  262004.9237  0.0039 -5.0212 3  387.4178103  72503 30351 645      51 546        s-trans-Propenoic acid
  262004.9306  0.0039 -5.0212 3  387.4178103  72503 30351 745      51 646        s-trans-Propenoic acid
  262004.9309  0.0039 -5.4881 3  387.4178103  72503 30351 745      51 546        s-trans-Propenoic acid
  262067.5584  0.0427 -5.9368 3  732.9911139  72503 303691654      691455        s-trans-Propenoic acid
  262070.2652  0.0047 -4.8559 3  175.9470 59  72503 30329 822      28 721        s-trans-Propenoic acid
  262162.6237  0.0209 -4.8573 3  392.7701 89  72503 303442024      441925        s-trans-Propenoic acid
  262162.6389  0.0209 -4.8573 3  392.7701 89  72503 303442025      441926        s-trans-Propenoic acid
  262167.7321  0.0064 -6.0098 3  239.0762 71  72503 303351124      35 927        s-trans-Propenoic acid
  262245.1302  0.0027 -4.7271 3  208.3757 67  72503 30333 826      32 725        s-trans-Propenoic acid
  262359.3727  0.2955 -5.7055 3  972.3805157  72503 303782454      782355        s-trans-Propenoic acid
  262392.2533  0.4513 -5.9121 3 1088.3758167  72503 303832558      832459        s-trans-Propenoic acid
  262407.2550  0.0026 -4.8075 3  128.6246 45  72503 30322 815      21 714        s-trans-Propenoic acid
  262461.6796  0.0068 -5.7605 3  216.9285 67  72503 303331023      33 726        s-trans-Propenoic acid
  262554.0726  0.0071 -6.0104 3  225.6832 67  72503 303331222      331023        s-trans-Propenoic acid
  262585.0620  0.1017 -5.2898 3  726.2410133  72503 303662245      662146        s-trans-Propenoic acid
  262763.8319  0.0451 -5.8121 3  610.4567123  72503 303611844      601941        s-trans-Propenoic acid
  262905.1158  0.0470 -5.0594 3  572.3156115  72503 303572136      572037        s-trans-Propenoic acid
  262915.9594  0.0207 -4.8481 3  381.4931 87  72503 303432023      431924        s-trans-Propenoic acid
  262915.9656  0.0207 -4.8481 3  381.4931 87  72503 303432024      431925        s-trans-Propenoic acid
  262927.8513  0.0470 -5.0593 3  572.3148115  72503 303572137      572038        s-trans-Propenoic acid
  262955.1976  0.0040 -6.2123 3  159.7443 51  72503 303251115      25 916        s-trans-Propenoic acid
  263090.1970  0.0048 -5.8726 3  104.8465 39  72503 30319 514      18 315        s-trans-Propenoic acid
  263098.5885  0.0014 -4.0271 3  239.8768 69  72503 303341322      331321        s-trans-Propenoic acid
  263123.6272  0.0014 -4.0270 3  239.8776 69  72503 303341321      331320        s-trans-Propenoic acid
  263130.0443  0.2721 -5.7720 3 1014.1359161  72503 303802457      802358        s-trans-Propenoic acid
  263339.0439  0.1482 -6.1239 3  626.8011125  72503 303621845      621646        s-trans-Propenoic acid
  263382.4735  0.0031 -5.6577 3  111.9420 41  72503 30320 614      19 415        s-trans-Propenoic acid
  263384.4283  0.0034 -6.1199 3   92.2169 33  72503 30316 611      15 412        s-trans-Propenoic acid
  263408.6143  0.1752 -5.5121 3  863.3637147  72503 303732351      732252        s-trans-Propenoic acid
  263460.6124  0.1004 -6.1927 3  825.4297143  72503 303712349      702446        s-trans-Propenoic acid
  263505.3184  0.0887 -6.1066 3  779.4799139  72503 303692248      682345        s-trans-Propenoic acid
  263590.6949  0.1132 -6.2819 3  872.8493147  72503 303732450      722547        s-trans-Propenoic acid
  263613.6407  0.0206 -4.8403 3  370.4831 85  72503 303422022      421923        s-trans-Propenoic acid
  263613.6432  0.0206 -4.8403 3  370.4831 85  72503 303422023      421924        s-trans-Propenoic acid
  263664.6939  0.0017 -4.6794 3  225.7810 71  72503 30335 728      34 827        s-trans-Propenoic acid
  263678.3636  0.0039 -5.4975 3  420.6685107  72503 30353 746      53 747        s-trans-Propenoic acid
  263678.3654  0.0039 -5.0182 3  420.6685107  72503 30353 746      53 647        s-trans-Propenoic acid
  263678.3998  0.0039 -5.0182 3  420.6685107  72503 30353 846      53 747        s-trans-Propenoic acid
  263678.4016  0.0039 -5.4975 3  420.6685107  72503 30353 846      53 647        s-trans-Propenoic acid
  263683.3659  0.1138 -6.2816 3  872.8491147  72503 303732449      722548        s-trans-Propenoic acid
  263687.8297  0.0777 -6.0241 3  735.0029135  72503 303672147      662244        s-trans-Propenoic acid
  263690.1207  0.1016 -6.1919 3  825.4292143  72503 303712348      702447        s-trans-Propenoic acid
  263725.0419  0.2091 -5.9967 3 1138.0017173  72503 303862364      862265        s-trans-Propenoic acid
  263756.9587  0.0320 -5.8537 3  689.5429135  72503 303671453      671454        s-trans-Propenoic acid
  263778.5604  0.0564 -5.8739 3  650.4841127  72503 303631945      622042        s-trans-Propenoic acid
  263786.8346  0.0320 -5.2713 3  689.5419135  72503 303671453      671354        s-trans-Propenoic acid
  263874.7933  0.1089 -6.2619 3  909.9827155  72503 303771859      771860        s-trans-Propenoic acid
  263880.8222  0.0671 -5.9459 3  692.0025131  72503 303652046      642143        s-trans-Propenoic acid
  263892.5824  0.1273 -6.3741 3  921.7364151  72503 303752551      742648        s-trans-Propenoic acid
  263903.4666  0.0739 -5.5001 3  842.4762149  72503 303741857      741758        s-trans-Propenoic acid
  263928.5392  0.0019 -3.9619 3  216.8795 67  72503 303331023      321022        s-trans-Propenoic acid
  263929.2837  0.1275 -6.3740 3  921.7363151  72503 303752550      742649        s-trans-Propenoic acid
  263972.1197  0.0042 -5.5233 3  335.5687 97  72503 30348 444      48 445        s-trans-Propenoic acid
  263972.1198  0.0042 -5.0817 3  335.5687 97  72503 30348 444      48 345        s-trans-Propenoic acid
  263972.1198  0.0042 -5.5233 3  335.5687 97  72503 30348 544      48 345        s-trans-Propenoic acid
  263972.1198  0.0042 -5.0817 3  335.5687 97  72503 30348 544      48 445        s-trans-Propenoic acid
  264023.1529  0.0320 -5.2706 3  689.5429135  72503 303671553      671454        s-trans-Propenoic acid
  264042.8231  0.0039 -6.2093 3  159.7082 51  72503 303251114      25 917        s-trans-Propenoic acid
  264053.0287  0.0320 -5.8528 3  689.5419135  72503 303671553      671354        s-trans-Propenoic acid
  264061.2692  0.0911 -6.1047 3  779.4788139  72503 303692247      682346        s-trans-Propenoic acid
  264139.2639  0.0148 -5.6816 3  475.0490 71  72503 3033534 1      3434 0        s-trans-Propenoic acid
  264139.2639  0.0148 -5.6816 3  475.0490 71  72503 3033534 2      3434 1        s-trans-Propenoic acid
  264203.0736  0.2579 -6.0917 3 1192.9742177  72503 303882465      882366        s-trans-Propenoic acid
  264231.1298  0.0138 -5.3544 3  459.5847 71  72503 3033533 2      3433 1        s-trans-Propenoic acid
  264231.1298  0.0138 -5.3544 3  459.5847 71  72503 3033533 3      3433 2        s-trans-Propenoic acid
  264255.3424  0.1740 -5.4796 3  844.2369145  72503 303722349      722250        s-trans-Propenoic acid
  264259.3011  0.0206 -4.8338 3  359.7393 83  72503 303412021      411922        s-trans-Propenoic acid
  264259.3021  0.0206 -4.8338 3  359.7393 83  72503 303412022      411923        s-trans-Propenoic acid
  264280.5827  0.0048 -4.8711 3  168.3446 57  72503 30328 821      27 720        s-trans-Propenoic acid
  264326.4090  0.0738 -6.1335 3  842.4621149  72503 303741857      741658        s-trans-Propenoic acid
  264328.6169  0.0129 -5.1531 3  444.5831 71  72503 3033532 3      3432 2        s-trans-Propenoic acid
  264328.6169  0.0129 -5.1531 3  444.5831 71  72503 3033532 4      3432 3        s-trans-Propenoic acid
  264432.5695  0.0120 -5.0041 3  430.0446 71  72503 3033531 4      3431 3        s-trans-Propenoic acid
  264432.5695  0.0120 -5.0041 3  430.0446 71  72503 3033531 5      3431 4        s-trans-Propenoic acid
  264515.5199  0.0014 -4.0002 3  234.4411 69  72503 303341223      331222        s-trans-Propenoic acid
  264543.9774  0.0111 -4.8841 3  415.9697 71  72503 3033530 5      3430 4        s-trans-Propenoic acid
  264543.9774  0.0111 -4.8841 3  415.9697 71  72503 3033530 6      3430 5        s-trans-Propenoic acid
  264546.9513  0.0435 -5.0357 3  557.5322113  72503 303562135      562036        s-trans-Propenoic acid
  264550.6189  0.1060 -5.6119 3  909.9601155  72503 303771859      771760        s-trans-Propenoic acid
  264558.6470  0.0435 -5.0357 3  557.5318113  72503 303562136      562037        s-trans-Propenoic acid
  264582.2625  0.0015 -3.9493 3  221.1951 69  72503 30334 926      33 925        s-trans-Propenoic acid
  264601.6337  0.0020 -3.8809 3  240.5640 83  72503 30341 140      40 139        s-trans-Propenoic acid
  264601.6337  0.0020 -4.2938 3  240.5640 83  72503 30341 140      40 239        s-trans-Propenoic acid
  264601.6337  0.0020 -4.2938 3  240.5640 83  72503 30341 240      40 139        s-trans-Propenoic acid
  264601.6337  0.0020 -3.8809 3  240.5640 83  72503 30341 240      40 239        s-trans-Propenoic acid
  264602.4454  0.0023 -3.8673 3  241.0805 85  72503 30342 042      41 041        s-trans-Propenoic acid
  264602.4454  0.0023 -4.2563 3  241.0805 85  72503 30342 042      41 141        s-trans-Propenoic acid
  264602.4454  0.0023 -4.2563 3  241.0805 85  72503 30342 142      41 041        s-trans-Propenoic acid
  264602.4454  0.0023 -3.8673 3  241.0805 85  72503 30342 142      41 141        s-trans-Propenoic acid
  264613.0382  0.0018 -3.8937 3  239.5283 81  72503 30340 238      39 237        s-trans-Propenoic acid
  264613.0382  0.0018 -4.3344 3  239.5283 81  72503 30340 238      39 337        s-trans-Propenoic acid
  264613.0382  0.0018 -3.8937 3  239.5283 81  72503 30340 338      39 337        s-trans-Propenoic acid
  264613.0383  0.0018 -4.3344 3  239.5283 81  72503 30340 338      39 237        s-trans-Propenoic acid
  264633.4665  0.1180 -5.6896 3  959.5701159  72503 303792060      791961        s-trans-Propenoic acid
  264653.7612  0.0016 -4.3792 3  237.9595 79  72503 30339 336      38 435        s-trans-Propenoic acid
  264653.7634  0.0016 -3.9055 3  237.9595 79  72503 30339 436      38 435        s-trans-Propenoic acid
  264653.7658  0.0016 -3.9055 3  237.9595 79  72503 30339 336      38 335        s-trans-Propenoic acid
  264653.7680  0.0016 -4.3792 3  237.9595 79  72503 30339 436      38 335        s-trans-Propenoic acid
  264664.0079  0.0103 -4.7830 3  402.3586 71  72503 3033529 6      3429 5        s-trans-Propenoic acid
  264664.0079  0.0103 -4.7830 3  402.3586 71  72503 3033529 7      3429 6        s-trans-Propenoic acid
  264704.7802  0.0059 -5.2764 3  286.7695 91  72503 30345 243      45 144        s-trans-Propenoic acid
  264704.7802  0.0059 -5.6948 3  286.7695 91  72503 30345 243      45 244        s-trans-Propenoic acid
  264704.7802  0.0059 -5.6948 3  286.7695 91  72503 30345 343      45 144        s-trans-Propenoic acid
  264704.7802  0.0059 -5.2764 3  286.7695 91  72503 30345 343      45 244        s-trans-Propenoic acid
  264733.9800  0.0949 -5.2580 3  708.9871131  72503 303652243      652144        s-trans-Propenoic acid
  264754.5411  0.0016 -4.4299 3  235.8376 77  72503 30338 434      37 533        s-trans-Propenoic acid
  264754.6682  0.0016 -3.9163 3  235.8376 77  72503 30338 534      37 533        s-trans-Propenoic acid
  264754.7966  0.0016 -3.9163 3  235.8376 77  72503 30338 434      37 433        s-trans-Propenoic acid
  264754.9237  0.0016 -4.4299 3  235.8376 77  72503 30338 534      37 433        s-trans-Propenoic acid
  264759.9603  0.0014 -3.9995 3  234.4496 69  72503 303341222      331221        s-trans-Propenoic acid
  264766.9227  0.8936 -6.3238 3 1316.7829185  72503 303922765      922666        s-trans-Propenoic acid
  264794.0460  0.0095 -4.6951 3  389.2120 71  72503 3033528 7      3428 6        s-trans-Propenoic acid
  264794.0460  0.0095 -4.6951 3  389.2120 71  72503 3033528 8      3428 7        s-trans-Propenoic acid
  264856.2986  0.0207 -4.8288 3  349.2608 81  72503 303402020      401921        s-trans-Propenoic acid
  264856.2989  0.0207 -4.8288 3  349.2608 81  72503 303402021      401922        s-trans-Propenoic acid
  264935.7456  0.0087 -4.6171 3  376.5303 71  72503 3033527 8      3427 7        s-trans-Propenoic acid
  264935.7456  0.0087 -4.6171 3  376.5303 71  72503 3033527 9      3427 8        s-trans-Propenoic acid
  264969.1776  0.0015 -4.4895 3  233.1324 75  72503 30337 532      36 631        s-trans-Propenoic acid
  264974.1287  0.0015 -3.9255 3  233.1324 75  72503 30337 632      36 631        s-trans-Propenoic acid
  264978.6573  0.0015 -3.9255 3  233.1320 75  72503 30337 532      36 531        s-trans-Propenoic acid
  264983.6084  0.0015 -4.4895 3  233.1320 75  72503 30337 632      36 531        s-trans-Propenoic acid
  265000.2799  0.0826 -6.0195 3  734.9999135  72503 303672146      662245        s-trans-Propenoic acid
  265009.1647  0.0042 -5.5200 3  455.2274111  72503 30355 847      55 848        s-trans-Propenoic acid
  265009.1740  0.0042 -5.0278 3  455.2274111  72503 30355 847      55 748        s-trans-Propenoic acid
  265009.3282  0.0042 -5.0278 3  455.2274111  72503 30355 947      55 848        s-trans-Propenoic acid
  265009.3375  0.0042 -5.5200 3  455.2274111  72503 30355 947      55 748        s-trans-Propenoic acid
  265087.0858  0.0939 -5.2568 3  708.9737131  72503 303652244      652145        s-trans-Propenoic acid
  265091.0962  0.0079 -4.5471 3  364.3141 71  72503 3033526 9      3426 8        s-trans-Propenoic acid
  265091.0962  0.0079 -4.5471 3  364.3141 71  72503 303352610      3426 9        s-trans-Propenoic acid
  265262.5100  0.0072 -4.4835 3  352.5642 71  72503 303352510      3425 9        s-trans-Propenoic acid
  265262.5100  0.0072 -4.4835 3  352.5642 71  72503 303352511      342510        s-trans-Propenoic acid
  265272.6941  0.0016 -4.5645 3  229.7968 73  72503 30336 630      35 729        s-trans-Propenoic acid
  265294.3166  0.0043 -4.5341 3  108.9456 29  72503 3031412 2      1311 3        s-trans-Propenoic acid
  265294.3166  0.0043 -4.5341 3  108.9456 29  72503 3031412 3      1311 2        s-trans-Propenoic acid
  265371.1969  0.0234 -5.7770 3  647.3299131  72503 303651352      651353        s-trans-Propenoic acid
  265380.4809  0.0234 -5.2119 3  647.3296131  72503 303651352      651253        s-trans-Propenoic acid
  265393.0030  0.0023 -4.6919 3  216.9285 69  72503 30334 827      33 726        s-trans-Propenoic acid
  265402.7588  0.0016 -3.9327 3  229.7968 73  72503 30336 730      35 729        s-trans-Propenoic acid
  265407.7476  0.0209 -4.8253 3  339.0469 79  72503 303392019      391920        s-trans-Propenoic acid
  265407.7477  0.0209 -4.8253 3  339.0469 79  72503 303392020      391921        s-trans-Propenoic acid
  265426.4206  0.3536 -6.1014 3 1201.7871177  72503 303882564      882465        s-trans-Propenoic acid
  265452.9371  0.0065 -4.4253 3  341.2815 71  72503 303352411      342410        s-trans-Propenoic acid
  265452.9371  0.0065 -4.4253 3  341.2815 71  72503 303352412      342411        s-trans-Propenoic acid
  265462.7689  0.0234 -5.2117 3  647.3299131  72503 303651452      651353        s-trans-Propenoic acid
  265472.0529  0.0234 -5.7766 3  647.3296131  72503 303651452      651253        s-trans-Propenoic acid
  265506.8351  0.0016 -3.9324 3  229.7890 73  72503 30336 630      35 629        s-trans-Propenoic acid
  265508.0798  0.1760 -5.8997 3 1084.2178169  72503 303842263      842164        s-trans-Propenoic acid
  265516.1945  0.0039 -6.2581 3  153.2504 49  72503 303241114      24 915        s-trans-Propenoic acid
  265636.8998  0.0016 -4.5633 3  229.7890 73  72503 30336 730      35 629        s-trans-Propenoic acid
  265666.0219  0.0059 -4.3717 3  330.4669 71  72503 303352312      342311        s-trans-Propenoic acid
  265666.0219  0.0059 -4.3717 3  330.4669 71  72503 303352313      342312        s-trans-Propenoic acid
  265765.7639  0.0590 -6.0386 3  795.9383145  72503 303721656      721657        s-trans-Propenoic acid
  265855.9672  0.3603 -6.0578 3 1178.4680175  72503 303872563      872464        s-trans-Propenoic acid
  265870.5881  0.0016 -3.9383 3  225.7810 71  72503 30335 828      34 827        s-trans-Propenoic acid
  265906.3151  0.0052 -4.3222 3  320.1219 71  72503 303352213      342212        s-trans-Propenoic acid
  265906.3151  0.0052 -4.3222 3  320.1219 71  72503 303352214      342213        s-trans-Propenoic acid
  265908.9440  0.1500 -6.3901 3  980.1848161  72503 303801961      801962        s-trans-Propenoic acid
  265915.4200  0.0042 -6.0761 3   87.3656 33  72503 30316 413      15 114        s-trans-Propenoic acid
  265916.5464  0.0210 -4.8233 3  329.0968 77  72503 303382018      381919        s-trans-Propenoic acid
  265916.5464  0.0210 -4.8233 3  329.0968 77  72503 303382019      381920        s-trans-Propenoic acid
  265918.4598  0.0589 -5.4250 3  795.9332145  72503 303721656      721557        s-trans-Propenoic acid
  265972.2465  0.0053 -5.5533 3  491.0859115  72503 30357 948      57 949        s-trans-Propenoic acid
  265972.2902  0.0053 -5.0479 3  491.0859115  72503 30357 948      57 849        s-trans-Propenoic acid
  265972.9198  0.0053 -5.0479 3  491.0859115  72503 303571048      57 949        s-trans-Propenoic acid
  265972.9635  0.0053 -5.5533 3  491.0859115  72503 303571048      57 849        s-trans-Propenoic acid
  266003.3677  0.3440 -6.1431 3 1225.3547179  72503 303892565      892466        s-trans-Propenoic acid
  266038.9207  0.0030 -4.8196 3  134.4677 47  72503 30323 816      22 715        s-trans-Propenoic acid
  266056.3114  0.0014 -3.9754 3  229.5679 69  72503 303341124      331123        s-trans-Propenoic acid
  266063.3663  0.0039 -6.2566 3  153.2323 49  72503 303241113      24 916        s-trans-Propenoic acid
  266069.1875  0.0403 -5.0133 3  543.0277111  72503 303552134      552035        s-trans-Propenoic acid
  266073.3753  0.2617 -5.7277 3  992.9757159  72503 303792456      792357        s-trans-Propenoic acid
  266075.0927  0.0403 -5.0133 3  543.0275111  72503 303552135      552036        s-trans-Propenoic acid
  266179.5726  0.0046 -4.2762 3  310.2479 71  72503 303352114      342113        s-trans-Propenoic acid
  266179.5726  0.0046 -4.2762 3  310.2479 71  72503 303352115      342114        s-trans-Propenoic acid
  266255.2769  0.0078 -6.0575 3  175.9470 57  72503 303281018      28 721        s-trans-Propenoic acid
  266300.0505  0.0166 -5.7085 3  606.3670127  72503 303631251      631252        s-trans-Propenoic acid
  266301.9026  0.0040 -5.4962 3  366.8009101  72503 30350 545      50 546        s-trans-Propenoic acid
  266301.9027  0.0040 -5.0430 3  366.8009101  72503 30350 545      50 446        s-trans-Propenoic acid
  266301.9033  0.0040 -5.4962 3  366.8009101  72503 30350 645      50 446        s-trans-Propenoic acid
  266301.9033  0.0040 -5.0430 3  366.8009101  72503 30350 645      50 546        s-trans-Propenoic acid
  266302.7598  0.0166 -5.1597 3  606.3669127  72503 303631251      631152        s-trans-Propenoic acid
  266329.6972  0.0166 -5.1596 3  606.3670127  72503 303631351      631252        s-trans-Propenoic acid
  266332.4064  0.0166 -5.7084 3  606.3669127  72503 303631351      631152        s-trans-Propenoic acid
  266353.2818  0.1184 -6.3590 3  959.5127159  72503 303792060      791861        s-trans-Propenoic acid
  266385.4000  0.0213 -4.8230 3  319.4099 75  72503 303372017      371918        s-trans-Propenoic acid
  266385.4000  0.0213 -4.8230 3  319.4099 75  72503 303372018      371919        s-trans-Propenoic acid
  266438.2466  0.2604 -6.3101 3  800.3897143  72503 303712052      711853        s-trans-Propenoic acid
  266459.0973  0.1638 -5.4726 3  844.1507145  72503 303722350      722251        s-trans-Propenoic acid
  266486.3532  0.0031 -4.5761 3  111.4422 33  72503 3031611 6      1510 5        s-trans-Propenoic acid
  266486.3554  0.0031 -4.5761 3  111.4422 33  72503 3031611 5      1510 6        s-trans-Propenoic acid
  266493.1801  0.0040 -4.2335 3  300.8469 71  72503 303352015      342014        s-trans-Propenoic acid
  266493.1801  0.0040 -4.2335 3  300.8469 71  72503 303352016      342015        s-trans-Propenoic acid
  266493.7597  0.0047 -4.8751 3  160.9887 55  72503 30327 820      26 719        s-trans-Propenoic acid
  266536.7300  0.0076 -5.5964 3  528.2349119  72503 303591049      591050        s-trans-Propenoic acid
  266536.9171  0.0076 -5.0771 3  528.2349119  72503 303591049      59 950        s-trans-Propenoic acid
  266539.2854  0.0076 -5.0771 3  528.2349119  72503 303591149      591050        s-trans-Propenoic acid
  266539.4725  0.0076 -5.5964 3  528.2349119  72503 303591149      59 950        s-trans-Propenoic acid
  266631.9992  0.0141 -5.2039 3  312.8229 85  72503 303421131      411230        s-trans-Propenoic acid
  266649.7245  0.0015 -3.9564 3  225.2213 69  72503 303341025      331024        s-trans-Propenoic acid
  266663.4305  0.0114 -5.6483 3  566.6652123  72503 303611150      611151        s-trans-Propenoic acid
  266664.1694  0.0114 -5.1146 3  566.6652123  72503 303611150      611051        s-trans-Propenoic acid
  266672.4360  0.0114 -5.1146 3  566.6652123  72503 303611250      611151        s-trans-Propenoic acid
  266673.1749  0.0114 -5.6483 3  566.6652123  72503 303611250      611051        s-trans-Propenoic acid
  266816.8403  0.0215 -4.8245 3  309.9855 73  72503 303362016      361917        s-trans-Propenoic acid
  266816.8403  0.0215 -4.8245 3  309.9855 73  72503 303362017      361918        s-trans-Propenoic acid
  266846.4635  0.0017 -3.9281 3  211.3536 67  72503 30333 825      32 824        s-trans-Propenoic acid
  266856.7792  0.0035 -4.1937 3  291.9215 71  72503 303351916      341915        s-trans-Propenoic acid
  266856.7792  0.0035 -4.1937 3  291.9215 71  72503 303351917      341916        s-trans-Propenoic acid
  266885.3003  0.0765 -5.9354 3  691.9950131  72503 303652045      642144        s-trans-Propenoic acid
  266923.8217  0.0580 -5.4218 3  795.9383145  72503 303721756      721657        s-trans-Propenoic acid
  266969.4769  0.1432 -5.7252 3  980.1494161  72503 303801961      801862        s-trans-Propenoic acid
  267076.5176  0.0580 -6.0345 3  795.9332145  72503 303721756      721557        s-trans-Propenoic acid
  267093.3091  0.0358 -5.4730 3  424.5851101  72503 303501436      491535        s-trans-Propenoic acid
  267141.3516  0.0039 -6.3277 3   87.0394 29  72503 30314 7 7      13 5 8        s-trans-Propenoic acid
  267164.3738  0.3627 -6.0129 3 1155.4076173  72503 303862562      862463        s-trans-Propenoic acid
  267213.2429  0.0218 -4.8280 3  300.8229 71  72503 303352015      351916        s-trans-Propenoic acid
  267213.2429  0.0218 -4.8280 3  300.8229 71  72503 303352016      351917        s-trans-Propenoic acid
  267222.6330  0.4881 -6.2732 3 1287.6655185  72503 303922369      922270        s-trans-Propenoic acid
  267234.5223  0.0872 -5.2257 3  692.0025129  72503 303642242      642143        s-trans-Propenoic acid
  267249.1987  0.0384 -5.9687 3  402.8043 97  72503 303481534      481335        s-trans-Propenoic acid
  267283.2161  0.0030 -4.1565 3  283.4749 71  72503 303351817      341816        s-trans-Propenoic acid
  267283.2161  0.0030 -4.1565 3  283.4749 71  72503 303351818      341817        s-trans-Propenoic acid
  267297.9348  0.0017 -3.9332 3  225.6598 71  72503 30335 728      34 727        s-trans-Propenoic acid
  267433.0953  0.0867 -5.2251 3  691.9950129  72503 303642243      642144        s-trans-Propenoic acid
  267476.5535  0.0025 -4.6243 3  115.4767 37  72503 3031810 9      17 9 8        s-trans-Propenoic acid
  267477.7374  0.0025 -4.6243 3  115.4766 37  72503 3031810 8      17 9 9        s-trans-Propenoic acid
  267482.8010  0.0375 -4.9920 3  528.8005109  72503 303542133      542034        s-trans-Propenoic acid
  267485.7265  0.0375 -4.9920 3  528.8004109  72503 303542134      542035        s-trans-Propenoic acid
  267576.8419  0.0221 -4.8335 3  291.9215 69  72503 303342014      341915        s-trans-Propenoic acid
  267576.8419  0.0221 -4.8335 3  291.9215 69  72503 303342015      341916        s-trans-Propenoic acid
  267599.3923  0.0048 -5.1530 3  315.9487 95  72503 30347 344      47 245        s-trans-Propenoic acid
  267599.3923  0.0048 -5.5824 3  315.9487 95  72503 30347 344      47 345        s-trans-Propenoic acid
  267599.3923  0.0048 -5.5824 3  315.9487 95  72503 30347 444      47 245        s-trans-Propenoic acid
  267599.3923  0.0048 -5.1530 3  315.9487 95  72503 30347 444      47 345        s-trans-Propenoic acid
  267615.9226  0.0039 -6.3099 3  147.0386 47  72503 303231113      23 914        s-trans-Propenoic acid
  267655.3239  0.0031 -4.9855 3  125.5397 45  72503 30322 715      21 616        s-trans-Propenoic acid
  267671.8055  0.3338 -6.1830 3 1249.1605181  72503 303902566      902467        s-trans-Propenoic acid
  267690.5958  0.0946 -6.1382 3  670.5044131  72503 303651749      641846        s-trans-Propenoic acid
  267753.3602  0.0023 -4.6888 3  121.1186 41  72503 30320 912      19 811        s-trans-Propenoic acid
  267773.2132  0.0318 -5.7804 3  587.5082121  72503 303601744      591841        s-trans-Propenoic acid
  267774.8251  0.0076 -5.5272 3  268.1815 89  72503 30344 143      44 044        s-trans-Propenoic acid
  267774.8251  0.0076 -5.9345 3  268.1815 89  72503 30344 143      44 144        s-trans-Propenoic acid
  267774.8251  0.0076 -5.9345 3  268.1815 89  72503 30344 243      44 044        s-trans-Propenoic acid
  267774.8251  0.0076 -5.5272 3  268.1815 89  72503 30344 243      44 144        s-trans-Propenoic acid
  267790.0443  0.0026 -4.1217 3  275.5116 71  72503 303351719      341718        s-trans-Propenoic acid
  267790.0451  0.0026 -4.1217 3  275.5116 71  72503 303351718      341717        s-trans-Propenoic acid
  267794.1318  0.0017 -3.9699 3  229.6436 69  72503 303341123      331122        s-trans-Propenoic acid
  267879.2163  0.0039 -6.3092 3  147.0298 47  72503 303231112      23 915        s-trans-Propenoic acid
  267909.7430  0.0223 -4.8414 3  283.2807 67  72503 303332013      331914        s-trans-Propenoic acid
  267909.7430  0.0223 -4.8414 3  283.2807 67  72503 303332014      331915        s-trans-Propenoic acid
  267920.4828  0.0023 -4.6883 3  121.1138 41  72503 30320 911      19 812        s-trans-Propenoic acid
  268071.8563  0.2637 -5.6542 3  951.6985155  72503 303772453      772354        s-trans-Propenoic acid
  268087.0674  0.1583 -5.4383 3  825.2825143  72503 303712348      712249        s-trans-Propenoic acid
  268181.9008  0.0044 -4.8686 3  153.9039 53  72503 30326 819      25 718        s-trans-Propenoic acid
  268213.9342  0.0226 -4.8518 3  274.9000 65  72503 303322012      321913        s-trans-Propenoic acid
  268213.9342  0.0226 -4.8518 3  274.9000 65  72503 303322013      321914        s-trans-Propenoic acid
  268214.3500  0.0034 -4.8363 3  140.6303 49  72503 30324 817      23 716        s-trans-Propenoic acid
  268237.5602  0.0964 -5.6004 3  909.9827155  72503 303771959      771860        s-trans-Propenoic acid
  268314.0661  0.0602 -5.6978 3  556.6181117  72503 303581741      571840        s-trans-Propenoic acid
  268336.4122  0.0040 -5.4905 3  399.3588105  72503 30352 646      52 647        s-trans-Propenoic acid
  268336.4123  0.0040 -5.0255 3  399.3588105  72503 30352 646      52 547        s-trans-Propenoic acid
  268336.4158  0.0040 -5.0255 3  399.3588105  72503 30352 746      52 647        s-trans-Propenoic acid
  268336.4159  0.0040 -5.4905 3  399.3588105  72503 30352 746      52 547        s-trans-Propenoic acid
  268402.0198  0.0021 -4.0891 3  268.0374 71  72503 303351620      341619        s-trans-Propenoic acid
  268402.0375  0.0021 -4.0891 3  268.0374 71  72503 303351619      341618        s-trans-Propenoic acid
  268428.9201  0.0042 -6.2041 3   87.9240 31  72503 30315 610      14 311        s-trans-Propenoic acid
  268491.2960  0.0229 -4.8652 3  266.7788 63  72503 303312011      311912        s-trans-Propenoic acid
  268491.2960  0.0229 -4.8652 3  266.7788 63  72503 303312012      311913        s-trans-Propenoic acid
  268573.6171  0.1942 -5.8478 3 1053.0229167  72503 303832063      831964        s-trans-Propenoic acid
  268662.5178  0.1488 -5.8030 3 1031.6120165  72503 303822162      822063        s-trans-Propenoic acid
  268743.6095  0.0232 -4.8818 3  258.9165 61  72503 303302010      301911        s-trans-Propenoic acid
  268743.6095  0.0232 -4.8818 3  258.9165 61  72503 303302011      301912        s-trans-Propenoic acid
  268797.0156  0.0351 -4.9719 3  514.8493107  72503 303532132      532033        s-trans-Propenoic acid
  268798.4372  0.0351 -4.9718 3  514.8492107  72503 303532133      532034        s-trans-Propenoic acid
  268821.3751  0.3602 -6.1217 3 1206.7899179  72503 303892267      892168        s-trans-Propenoic acid
  268847.0841  0.2598 -6.1239 3 1216.3869179  72503 303892466      892367        s-trans-Propenoic acid
  268873.5720  0.0039 -4.8542 3  147.1121 51  72503 30325 818      24 717        s-trans-Propenoic acid
  268913.3858  0.0962 -6.2466 3  909.9601155  72503 303771959      771760        s-trans-Propenoic acid
  268918.7352  0.5998 -6.0751 3 1187.9340175  72503 303872661      872562        s-trans-Propenoic acid
  268944.8922  0.0446 -5.9446 3  750.6168141  72503 303701555      701556        s-trans-Propenoic acid
  268962.8437  0.0029 -4.7865 3  239.0762 73  72503 30336 828      35 927        s-trans-Propenoic acid
  268972.5639  0.0236 -4.9024 3  251.3127 59  72503 3032920 9      291910        s-trans-Propenoic acid
  268972.5639  0.0236 -4.9024 3  251.3127 59  72503 303292010      291911        s-trans-Propenoic acid
  268997.0969  0.0446 -5.3507 3  750.6150141  72503 303701555      701456        s-trans-Propenoic acid
  269155.4522  0.0018 -4.0585 3  261.0606 71  72503 303351521      341520        s-trans-Propenoic acid
  269155.7589  0.0018 -4.0585 3  261.0606 71  72503 303351520      341519        s-trans-Propenoic acid
  269177.9626  0.0111 -5.9620 3  277.5406 77  72503 303381326      381127        s-trans-Propenoic acid
  269179.7628  0.0239 -4.9276 3  243.9669 57  72503 3032820 8      2819 9        s-trans-Propenoic acid
  269179.7628  0.0239 -4.9276 3  243.9669 57  72503 3032820 9      281910        s-trans-Propenoic acid
  269195.3141  0.3602 -5.9670 3 1132.6152171  72503 303852561      852462        s-trans-Propenoic acid
  269209.0016  0.2493 -5.6838 3  972.1045157  72503 303782455      782356        s-trans-Propenoic acid
  269234.4670  0.2643 -5.9799 3 1128.5726173  72503 303862165      862066        s-trans-Propenoic acid
  269362.0462  0.0039 -6.3681 3  141.1037 45  72503 303221112      22 913        s-trans-Propenoic acid
  269366.7303  0.0242 -4.9584 3  236.8786 55  72503 3032720 7      2719 8        s-trans-Propenoic acid
  269366.7303  0.0242 -4.9584 3  236.8786 55  72503 3032720 8      2719 9        s-trans-Propenoic acid
  269382.1857  0.0446 -5.3495 3  750.6168141  72503 303701655      701556        s-trans-Propenoic acid
  269413.3664  0.1526 -5.4341 3  825.2311143  72503 303712349      712250        s-trans-Propenoic acid
  269434.3904  0.0446 -5.9431 3  750.6150141  72503 303701655      701456        s-trans-Propenoic acid
  269482.9864  0.0039 -6.3677 3  141.0997 45  72503 303221111      22 914        s-trans-Propenoic acid
  269503.8290  0.0020 -4.6587 3  225.6598 71  72503 30335 828      34 727        s-trans-Propenoic acid
  269506.5727  0.0038 -6.3243 3   86.9596 29  72503 30314 7 8      13 5 9        s-trans-Propenoic acid
  269515.8705  0.0803 -5.1949 3  675.3074127  72503 303632241      632142        s-trans-Propenoic acid
  269534.9152  0.0245 -4.9961 3  230.0474 53  72503 3032620 6      2619 7        s-trans-Propenoic acid
  269534.9152  0.0245 -4.9961 3  230.0474 53  72503 3032620 7      2619 8        s-trans-Propenoic acid
  269563.7150  0.0023 -4.7936 3  128.4313 45  72503 30322 814      21 715        s-trans-Propenoic acid
  269625.6005  0.0801 -5.1946 3  675.3033127  72503 303632242      632143        s-trans-Propenoic acid
  269685.6960  0.0248 -5.0430 3  223.4728 51  72503 3032520 5      2519 6        s-trans-Propenoic acid
  269685.6960  0.0248 -5.0430 3  223.4728 51  72503 3032520 6      2519 7        s-trans-Propenoic acid
  269793.2112  0.0019 -3.9253 3  213.7954 67  72503 30333 924      32 923        s-trans-Propenoic acid
  269798.2963  0.0798 -6.1470 3  861.5902151  72503 303751758      751759        s-trans-Propenoic acid
  269820.3841  0.0251 -5.1022 3  217.1544 49  72503 3032420 4      2419 5        s-trans-Propenoic acid
  269820.3841  0.0251 -5.1022 3  217.1544 49  72503 3032420 5      2419 6        s-trans-Propenoic acid
  269830.4171  0.3980 -5.8523 3 1066.2523165  72503 303822557      822458        s-trans-Propenoic acid
  269860.9024  0.2173 -6.0241 3 1160.7738175  72503 303872365      872266        s-trans-Propenoic acid
  269940.2273  0.0254 -5.1792 3  211.0918 47  72503 3032320 3      2319 4        s-trans-Propenoic acid
  269940.2273  0.0254 -5.1792 3  211.0918 47  72503 3032320 4      2319 5        s-trans-Propenoic acid
  270019.7534  0.0329 -4.9529 3  501.1726105  72503 303522131      522032        s-trans-Propenoic acid
  270020.4307  0.0329 -4.9529 3  501.1726105  72503 303522132      522033        s-trans-Propenoic acid
  270046.4126  0.0257 -5.2841 3  205.2846 45  72503 3032220 2      2219 3        s-trans-Propenoic acid
  270046.4126  0.0257 -5.2841 3  205.2846 45  72503 3032220 3      2219 4        s-trans-Propenoic acid
  270050.1866  0.0793 -5.5208 3  861.5818151  72503 303751758      751659        s-trans-Propenoic acid
  270059.5607  0.0041 -5.5010 3  433.2342109  72503 30354 747      54 748        s-trans-Propenoic acid
  270059.5616  0.0041 -5.0238 3  433.2342109  72503 30354 747      54 648        s-trans-Propenoic acid
  270059.5791  0.0041 -5.0238 3  433.2342109  72503 30354 847      54 748        s-trans-Propenoic acid
  270059.5800  0.0041 -5.5010 3  433.2342109  72503 30354 847      54 648        s-trans-Propenoic acid
  270105.4450  0.0016 -4.0296 3  254.5931 71  72503 303351422      341421        s-trans-Propenoic acid
  270109.8215  0.0016 -4.0296 3  254.5932 71  72503 303351421      341420        s-trans-Propenoic acid
  270140.0683  0.0260 -5.4401 3  199.7325 43  72503 3032120 1      2119 2        s-trans-Propenoic acid
  270140.0683  0.0260 -5.4401 3  199.7325 43  72503 3032120 2      2119 3        s-trans-Propenoic acid
  270176.5137  0.0048 -5.2505 3  117.4055 43  72503 30321 615      20 516        s-trans-Propenoic acid
  270222.2667  0.0263 -5.7209 3  194.4351 41  72503 3032020 0      2019 1        s-trans-Propenoic acid
  270222.2667  0.0263 -5.7209 3  194.4351 41  72503 3032020 1      2019 2        s-trans-Propenoic acid
  270231.0726  0.0043 -5.0842 3  346.4699 99  72503 30349 445      49 346        s-trans-Propenoic acid
  270231.0726  0.0043 -5.5247 3  346.4699 99  72503 30349 445      49 446        s-trans-Propenoic acid
  270231.0726  0.0043 -5.5247 3  346.4699 99  72503 30349 545      49 346        s-trans-Propenoic acid
  270231.0726  0.0043 -5.0842 3  346.4699 99  72503 30349 545      49 446        s-trans-Propenoic acid
  270276.5089  0.0063 -6.0203 3  216.8795 65  72503 303321221      321022        s-trans-Propenoic acid
  270291.6391  0.0089 -6.1100 3  177.0138 59  72503 30329 821      29 524        s-trans-Propenoic acid
  270399.1459  0.0735 -5.8506 3  650.4659127  72503 303631944      622043        s-trans-Propenoic acid
  270461.0378  0.0204 -5.9521 3  336.5862 87  72503 303431430      431231        s-trans-Propenoic acid
  270464.7182  0.3260 -6.2210 3 1273.1948183  72503 303912567      912468        s-trans-Propenoic acid
  270800.2566  0.0017 -4.6398 3  234.6495 73  72503 30336 729      35 828        s-trans-Propenoic acid
  270821.8739  0.0021 -3.8687 3  249.3902 85  72503 30342 141      41 140        s-trans-Propenoic acid
  270821.8739  0.0021 -4.2807 3  249.3902 85  72503 30342 141      41 240        s-trans-Propenoic acid
  270821.8739  0.0021 -4.2807 3  249.3902 85  72503 30342 241      41 140        s-trans-Propenoic acid
  270821.8739  0.0021 -3.8687 3  249.3902 85  72503 30342 241      41 240        s-trans-Propenoic acid
  270822.9430  0.0024 -3.8554 3  249.9066 87  72503 30343 043      42 042        s-trans-Propenoic acid
  270822.9430  0.0024 -4.2441 3  249.9066 87  72503 30343 043      42 142        s-trans-Propenoic acid
  270822.9430  0.0024 -4.2441 3  249.9066 87  72503 30343 143      42 042        s-trans-Propenoic acid
  270822.9430  0.0024 -3.8554 3  249.9066 87  72503 30343 143      42 142        s-trans-Propenoic acid
  270832.1952  0.0019 -3.8812 3  248.3549 83  72503 30341 239      40 238        s-trans-Propenoic acid
  270832.1952  0.0019 -4.3201 3  248.3549 83  72503 30341 239      40 338        s-trans-Propenoic acid
  270832.1952  0.0019 -4.3201 3  248.3549 83  72503 30341 339      40 238        s-trans-Propenoic acid
  270832.1952  0.0019 -3.8812 3  248.3549 83  72503 30341 339      40 338        s-trans-Propenoic acid
  270869.7648  0.0017 -4.3634 3  246.7874 81  72503 30340 337      39 436        s-trans-Propenoic acid
  270869.7659  0.0017 -3.8926 3  246.7874 81  72503 30340 437      39 436        s-trans-Propenoic acid
  270869.7670  0.0017 -3.8926 3  246.7874 81  72503 30340 337      39 336        s-trans-Propenoic acid
  270869.7681  0.0017 -4.3634 3  246.7874 81  72503 30340 437      39 336        s-trans-Propenoic acid
  270875.1355  0.0072 -6.0358 3  248.3552 73  72503 303361125      36 928        s-trans-Propenoic acid
  270881.8409  0.1017 -6.0535 3  540.7032115  72503 303571741      571542        s-trans-Propenoic acid
  270929.1429  0.0060 -5.2769 3  296.6330 93  72503 30346 244      46 145        s-trans-Propenoic acid
  270929.1429  0.0060 -5.6948 3  296.6330 93  72503 30346 244      46 245        s-trans-Propenoic acid
  270929.1429  0.0060 -5.6948 3  296.6330 93  72503 30346 344      46 145        s-trans-Propenoic acid
  270929.1429  0.0060 -5.2769 3  296.6330 93  72503 30346 344      46 245        s-trans-Propenoic acid
  270962.6402  0.0016 -4.4121 3  244.6689 79  72503 30339 435      38 534        s-trans-Propenoic acid
  270962.7031  0.0016 -3.9030 3  244.6689 79  72503 30339 535      38 534        s-trans-Propenoic acid
  270962.7673  0.0016 -3.9030 3  244.6689 79  72503 30339 435      38 434        s-trans-Propenoic acid
  270962.8301  0.0016 -4.4121 3  244.6689 79  72503 30339 535      38 434        s-trans-Propenoic acid
  271044.1482  0.0083 -6.1682 3  225.7810 69  72503 303341024      34 827        s-trans-Propenoic acid
  271073.3876  0.0335 -5.8599 3  706.5246137  72503 303681454      681455        s-trans-Propenoic acid
  271090.2614  0.0335 -5.2838 3  706.5241137  72503 303681454      681355        s-trans-Propenoic acid
  271157.9373  0.0311 -4.9350 3  487.7694103  72503 303512130      512031        s-trans-Propenoic acid
  271158.2535  0.0311 -4.9350 3  487.7694103  72503 303512131      512032        s-trans-Propenoic acid
  271160.9926  0.0016 -4.4689 3  241.9709 77  72503 30338 533      37 632        s-trans-Propenoic acid
  271163.5588  0.0016 -3.9120 3  241.9709 77  72503 30338 633      37 632        s-trans-Propenoic acid
  271165.9436  0.0016 -3.9120 3  241.9708 77  72503 30338 533      37 532        s-trans-Propenoic acid
  271168.5098  0.0016 -4.4688 3  241.9708 77  72503 30338 633      37 532        s-trans-Propenoic acid
  271229.3641  0.0335 -5.2833 3  706.5246137  72503 303681554      681455        s-trans-Propenoic acid
  271246.2378  0.0335 -5.8594 3  706.5241137  72503 303681554      681355        s-trans-Propenoic acid
  271329.9800  0.0014 -4.0021 3  248.6528 71  72503 303351323      341322        s-trans-Propenoic acid
  271380.2658  0.0014 -4.0019 3  248.6544 71  72503 303351322      341321        s-trans-Propenoic acid
  271452.2397  0.0044 -5.5242 3  468.4189113  72503 30356 848      56 849        s-trans-Propenoic acid
  271452.2444  0.0044 -5.0346 3  468.4189113  72503 30356 848      56 749        s-trans-Propenoic acid
  271452.3244  0.0044 -5.0346 3  468.4189113  72503 30356 948      56 849        s-trans-Propenoic acid
  271452.3291  0.0044 -5.5242 3  468.4189113  72503 30356 948      56 749        s-trans-Propenoic acid
  271452.5645  0.1450 -5.3993 3  806.6346141  72503 303702347      702248        s-trans-Propenoic acid
  271479.9181  0.0016 -3.9320 3  230.0206 71  72503 30335 927      34 926        s-trans-Propenoic acid
  271490.8026  0.0016 -4.5390 3  238.6497 75  72503 30337 631      36 730        s-trans-Propenoic acid
  271562.2324  0.0016 -3.9190 3  238.6497 75  72503 30337 731      36 730        s-trans-Propenoic acid
  271601.4372  0.0771 -5.5160 3  861.5902151  72503 303751858      751759        s-trans-Propenoic acid
  271603.6394  0.0058 -4.4779 3  110.9798 27  72503 3031313 0      1212 1        s-trans-Propenoic acid
  271603.6394  0.0058 -4.4779 3  110.9798 27  72503 3031313 1      1212 0        s-trans-Propenoic acid
  271611.4210  0.0741 -5.1655 3  658.8990125  72503 303622240      622141        s-trans-Propenoic acid
  271620.8673  0.0016 -3.9188 3  238.6454 75  72503 30337 631      36 630        s-trans-Propenoic acid
  271650.1459  0.0167 -5.7088 3  499.7838 73  72503 3033635 1      3535 0        s-trans-Propenoic acid
  271650.1459  0.0167 -5.7088 3  499.7838 73  72503 3033635 2      3535 1        s-trans-Propenoic acid
  271671.0125  0.0740 -5.1653 3  658.8968125  72503 303622241      622142        s-trans-Propenoic acid
  271692.2971  0.0016 -4.5383 3  238.6454 75  72503 30337 731      36 630        s-trans-Propenoic acid
  271743.2480  0.0157 -5.3805 3  483.8598 73  72503 3033634 2      3534 1        s-trans-Propenoic acid
  271743.2480  0.0157 -5.3805 3  483.8598 73  72503 3033634 3      3534 2        s-trans-Propenoic acid
  271779.8145  0.3529 -5.9204 3 1110.0992169  72503 303842560      842461        s-trans-Propenoic acid
  271841.7285  0.0146 -5.1781 3  468.3985 73  72503 3033633 3      3533 2        s-trans-Propenoic acid
  271841.7285  0.0146 -5.1781 3  468.3985 73  72503 3033633 4      3533 3        s-trans-Propenoic acid
  271853.3275  0.0771 -6.1408 3  861.5818151  72503 303751858      751659        s-trans-Propenoic acid
  271897.4249  0.2088 -6.2059 3  701.6713133  72503 303661948      661749        s-trans-Propenoic acid
  271946.3763  0.0136 -5.0279 3  453.4001 73  72503 3033632 4      3532 3        s-trans-Propenoic acid
  271946.3763  0.0136 -5.0279 3  453.4001 73  72503 3033632 5      3532 4        s-trans-Propenoic acid
  272033.1479  0.0039 -6.2296 3   90.7149 31  72503 30315 7 8      14 5 9        s-trans-Propenoic acid
  272058.1118  0.0127 -4.9068 3  438.8651 73  72503 3033631 5      3531 4        s-trans-Propenoic acid
  272058.1118  0.0127 -4.9068 3  438.8651 73  72503 3033631 6      3531 5        s-trans-Propenoic acid
  272112.5443  0.0016 -3.9241 3  234.6495 73  72503 30336 829      35 828        s-trans-Propenoic acid
  272178.0150  0.0118 -4.8045 3  424.7939 73  72503 3033630 6      3530 5        s-trans-Propenoic acid
  272178.0150  0.0118 -4.8045 3  424.7939 73  72503 3033630 7      3530 6        s-trans-Propenoic acid
  272217.7000  0.0296 -4.9184 3  474.6385101  72503 303502129      502030        s-trans-Propenoic acid
  272217.8446  0.0296 -4.9184 3  474.6385101  72503 303502130      502031        s-trans-Propenoic acid
  272236.0965  0.1418 -5.3968 3  806.6044141  72503 303702348      702249        s-trans-Propenoic acid
  272307.3597  0.0109 -4.7154 3  411.1869 73  72503 3033629 7      3529 6        s-trans-Propenoic acid
  272307.3597  0.0109 -4.7154 3  411.1869 73  72503 3033629 8      3529 7        s-trans-Propenoic acid
  272369.2277  0.1237 -5.7086 3  980.1848161  72503 303802061      801962        s-trans-Propenoic acid
  272418.6792  0.2356 -5.6406 3  951.5254155  72503 303772454      772355        s-trans-Propenoic acid
  272431.0504  0.0245 -5.7836 3  663.6740133  72503 303661353      661354        s-trans-Propenoic acid
  272436.1928  0.0245 -5.2238 3  663.6739133  72503 303661353      661254        s-trans-Propenoic acid
  272447.6581  0.0100 -4.6364 3  398.0446 73  72503 3033628 8      3528 7        s-trans-Propenoic acid
  272447.6581  0.0100 -4.6364 3  398.0446 73  72503 3033628 9      3528 8        s-trans-Propenoic acid
  272483.5601  0.0246 -5.2237 3  663.6740133  72503 303661453      661354        s-trans-Propenoic acid
  272488.7025  0.0246 -5.7834 3  663.6739133  72503 303661453      661254        s-trans-Propenoic acid
  272491.5329  0.0056 -5.5584 3  504.9043117  72503 30358 949      58 950        s-trans-Propenoic acid
  272491.5554  0.0056 -5.0559 3  504.9043117  72503 30358 949      58 850        s-trans-Propenoic acid
  272491.8889  0.0056 -5.0559 3  504.9043117  72503 303581049      58 950        s-trans-Propenoic acid
  272491.9113  0.0056 -5.5584 3  504.9043117  72503 303581049      58 850        s-trans-Propenoic acid
  272544.2740  0.0019 -3.9167 3  220.2546 69  72503 30334 826      33 825        s-trans-Propenoic acid
  272588.9059  0.0041 -5.0468 3  378.3252103  72503 30351 546      51 447        s-trans-Propenoic acid
  272588.9059  0.0041 -5.4986 3  378.3252103  72503 30351 546      51 547        s-trans-Propenoic acid
  272588.9062  0.0041 -5.4986 3  378.3252103  72503 30351 646      51 447        s-trans-Propenoic acid
  272588.9062  0.0041 -5.0468 3  378.3252103  72503 30351 646      51 547        s-trans-Propenoic acid
  272600.7170  0.0092 -4.5652 3  385.3676 73  72503 3033627 9      3527 8        s-trans-Propenoic acid
  272600.7170  0.0092 -4.5652 3  385.3676 73  72503 303362710      3527 9        s-trans-Propenoic acid
  272650.7214  0.1851 -5.9235 3 1106.3386171  72503 303852264      852165        s-trans-Propenoic acid
  272751.1590  0.0461 -5.8123 3  626.4871125  72503 303621845      611942        s-trans-Propenoic acid
  272768.7118  0.0083 -4.5004 3  373.1566 73  72503 303362610      3526 9        s-trans-Propenoic acid
  272768.7118  0.0083 -4.5004 3  373.1566 73  72503 303362611      352610        s-trans-Propenoic acid
  272834.8992  0.0053 -5.7757 3   97.8344 37  72503 30318 414      17 315        s-trans-Propenoic acid
  272840.6863  0.0041 -4.5182 3  112.4843 31  72503 3031512 3      1411 4        s-trans-Propenoic acid
  272840.6863  0.0041 -4.5182 3  112.4843 31  72503 3031512 4      1411 3        s-trans-Propenoic acid
  272867.0727  0.0014 -3.9758 3  243.2644 71  72503 303351224      341223        s-trans-Propenoic acid
  272911.6450  0.2380 -5.6066 3  931.3466153  72503 303762452      762353        s-trans-Propenoic acid
  272954.2817  0.0076 -4.4410 3  361.4124 73  72503 303362511      352510        s-trans-Propenoic acid
  272954.2817  0.0076 -4.4410 3  361.4124 73  72503 303362512      352511        s-trans-Propenoic acid
  273006.1508  0.0017 -3.9209 3  234.5759 73  72503 30336 729      35 728        s-trans-Propenoic acid
  273149.5603  0.0081 -5.6021 3  542.6817121  72503 303601050      601051        s-trans-Propenoic acid
  273149.6582  0.0081 -5.0863 3  542.6817121  72503 303601050      60 951        s-trans-Propenoic acid
  273150.9385  0.0081 -5.0863 3  542.6817121  72503 303601150      601051        s-trans-Propenoic acid
  273151.0364  0.0081 -5.6021 3  542.6817121  72503 303601150      60 951        s-trans-Propenoic acid
  273160.6588  0.0068 -4.3863 3  350.1360 73  72503 303362412      352411        s-trans-Propenoic acid
  273160.6588  0.0068 -4.3863 3  350.1360 73  72503 303362413      352412        s-trans-Propenoic acid
  273172.7407  0.0174 -5.7151 3  622.0764129  72503 303641252      641253        s-trans-Propenoic acid
  273174.2128  0.0174 -5.1708 3  622.0763129  72503 303641252      641153        s-trans-Propenoic acid
  273189.3899  0.0175 -5.1707 3  622.0764129  72503 303641352      641253        s-trans-Propenoic acid
  273190.8621  0.0175 -5.7150 3  622.0763129  72503 303641352      641153        s-trans-Propenoic acid
  273204.5315  0.0283 -4.9028 3  461.7787 99  72503 303492128      492029        s-trans-Propenoic acid
  273204.5962  0.0283 -4.9028 3  461.7787 99  72503 303492129      492030        s-trans-Propenoic acid
  273236.3609  0.0052 -6.1484 3   97.8210 37  72503 30318 414      17 215        s-trans-Propenoic acid
  273263.5898  0.0039 -6.1776 3   93.7816 35  72503 30317 513      16 314        s-trans-Propenoic acid
  273267.0933  0.1070 -6.2647 3  929.9444157  72503 303781860      781861        s-trans-Propenoic acid
  273314.4258  0.0015 -3.9745 3  243.2811 71  72503 303351223      341222        s-trans-Propenoic acid
  273391.6076  0.0120 -5.6545 3  581.7423125  72503 303621151      621152        s-trans-Propenoic acid
  273391.8404  0.0061 -4.3356 3  339.3286 73  72503 303362313      352312        s-trans-Propenoic acid
  273391.8404  0.0061 -4.3356 3  339.3286 73  72503 303362314      352313        s-trans-Propenoic acid
  273392.0016  0.0120 -5.1248 3  581.7423125  72503 303621151      621052        s-trans-Propenoic acid
  273396.5631  0.0120 -5.1248 3  581.7423125  72503 303621251      621152        s-trans-Propenoic acid
  273396.9570  0.0120 -5.6545 3  581.7423125  72503 303621251      621052        s-trans-Propenoic acid
  273429.7607  0.1235 -6.3676 3  980.1494161  72503 303802061      801862        s-trans-Propenoic acid
  273545.9421  0.0684 -5.1374 3  642.7750123  72503 303612239      612140        s-trans-Propenoic acid
  273564.5503  0.0472 -5.5333 3  470.9220107  72503 303531538      521637        s-trans-Propenoic acid
  273577.7487  0.0684 -5.1373 3  642.7738123  72503 303612240      612141        s-trans-Propenoic acid
  273652.8268  0.0054 -4.2885 3  328.9915 73  72503 303362214      352213        s-trans-Propenoic acid
  273652.8268  0.0054 -4.2885 3  328.9915 73  72503 303362215      352214        s-trans-Propenoic acid
  273674.5343  0.1057 -5.6254 3  929.9308157  72503 303781860      781761        s-trans-Propenoic acid
  273676.1784  0.0061 -5.9527 3  243.2690 71  72503 303351223      351026        s-trans-Propenoic acid
  273758.6721  0.0608 -6.0446 3  814.4051147  72503 303731657      731658        s-trans-Propenoic acid
  273770.6967  0.0063 -5.9463 3  252.6737 73  72503 303361224      361027        s-trans-Propenoic acid
  273836.0798  0.0049 -5.1550 3  326.4345 97  72503 30348 345      48 246        s-trans-Propenoic acid
  273836.0798  0.0049 -5.5835 3  326.4345 97  72503 30348 345      48 346        s-trans-Propenoic acid
  273836.0798  0.0049 -5.5835 3  326.4345 97  72503 30348 445      48 246        s-trans-Propenoic acid
  273836.0798  0.0049 -5.1550 3  326.4345 97  72503 30348 445      48 346        s-trans-Propenoic acid
  273847.7410  0.0608 -5.4389 3  814.4021147  72503 303731657      731558        s-trans-Propenoic acid
  273949.9552  0.0048 -4.2446 3  319.1267 73  72503 303362115      352114        s-trans-Propenoic acid
  273949.9552  0.0048 -4.2446 3  319.1267 73  72503 303362116      352115        s-trans-Propenoic acid
  273975.4716  0.0021 -3.9319 3  225.6832 69  72503 303341024      331023        s-trans-Propenoic acid
  273992.4240  0.0078 -5.5271 3  277.6301 91  72503 30345 144      45 045        s-trans-Propenoic acid
  273992.4240  0.0078 -5.9341 3  277.6301 91  72503 30345 144      45 145        s-trans-Propenoic acid
  273992.4240  0.0078 -5.9341 3  277.6301 91  72503 30345 244      45 045        s-trans-Propenoic acid
  273992.4240  0.0078 -5.5271 3  277.6301 91  72503 30345 244      45 145        s-trans-Propenoic acid
  273994.5968  0.0298 -5.8075 3  603.4059123  72503 303611745      601842        s-trans-Propenoic acid
  273997.2020  0.0030 -4.5605 3  115.5014 35  72503 3031711 7      1610 6        s-trans-Propenoic acid
  273997.2116  0.0030 -4.5605 3  115.5014 35  72503 3031711 6      1610 7        s-trans-Propenoic acid
  273998.1723  0.0038 -5.8233 3   93.7571 35  72503 30317 513      16 214        s-trans-Propenoic acid
  274035.5332  0.0039 -6.0149 3   91.8616 33  72503 30316 611      15 312        s-trans-Propenoic acid
  274123.3870  0.0273 -4.8885 3  449.1892 97  72503 303482127      482028        s-trans-Propenoic acid
  274123.4153  0.0273 -4.8885 3  449.1892 97  72503 303482128      482029        s-trans-Propenoic acid
  274291.3800  0.0042 -4.2036 3  309.7361 73  72503 303362016      352015        s-trans-Propenoic acid
  274291.3800  0.0042 -4.2036 3  309.7361 73  72503 303362017      352016        s-trans-Propenoic acid
  274318.4384  0.0018 -4.6278 3  234.5759 73  72503 30336 829      35 728        s-trans-Propenoic acid
  274349.2770  0.0015 -3.9522 3  238.4426 71  72503 303351125      341124        s-trans-Propenoic acid
  274359.9345  0.3231 -6.2570 3 1297.4483185  72503 303922568      922469        s-trans-Propenoic acid
  274397.9927  0.1240 -6.2779 3  891.7972149  72503 303742451      732548        s-trans-Propenoic acid
  274405.9946  0.0016 -3.9358 3  234.1158 71  72503 303351026      341025        s-trans-Propenoic acid
  274424.3933  0.2666 -6.1548 3 1240.0067181  72503 303902467      902368        s-trans-Propenoic acid
  274453.5019  0.1333 -5.3622 3  788.2869139  72503 303692346      692247        s-trans-Propenoic acid
  274461.5039  0.1103 -6.1873 3  843.8838145  72503 303722350      712447        s-trans-Propenoic acid
  274462.1325  0.0605 -5.4370 3  814.4051147  72503 303731757      731658        s-trans-Propenoic acid
  274480.4817  0.4398 -6.2702 3 1306.6000185  72503 303922667      922568        s-trans-Propenoic acid
  274518.4288  0.0034 -6.0559 3   96.2356 35  72503 30317 612      16 413        s-trans-Propenoic acid
  274518.7440  0.1390 -6.3717 3  941.1792153  72503 303762552      752649        s-trans-Propenoic acid
  274551.2014  0.0605 -6.0423 3  814.4021147  72503 303731757      731558        s-trans-Propenoic acid
  274565.4500  0.1251 -6.2774 3  891.7969149  72503 303742450      732549        s-trans-Propenoic acid
  274586.0920  0.1394 -6.3715 3  941.1791153  72503 303762551      752650        s-trans-Propenoic acid
  274660.1469  0.0042 -5.4940 3  411.5068107  72503 30353 647      53 648        s-trans-Propenoic acid
  274660.1470  0.0042 -5.0307 3  411.5068107  72503 30353 647      53 548        s-trans-Propenoic acid
  274660.1487  0.0042 -5.0307 3  411.5068107  72503 30353 747      53 648        s-trans-Propenoic acid
  274660.1488  0.0042 -5.4940 3  411.5068107  72503 30353 747      53 548        s-trans-Propenoic acid
  274677.3891  0.0079 -5.7882 3  225.6598 69  72503 303341024      34 727        s-trans-Propenoic acid
  274687.7826  0.0036 -4.1653 3  300.8229 73  72503 303361917      351916        s-trans-Propenoic acid
  274687.7826  0.0036 -4.1653 3  300.8229 73  72503 303361918      351917        s-trans-Propenoic acid
  274692.3924  0.0975 -6.0999 3  797.4417141  72503 303702249      692346        s-trans-Propenoic acid
  274703.4099  0.4509 -6.2247 3 1282.2165183  72503 303912666      912567        s-trans-Propenoic acid
  274725.0236  0.0600 -5.8685 3  666.9871129  72503 303641946      632043        s-trans-Propenoic acid
  274751.6940  0.3417 -5.8738 3 1087.8665167  72503 303832559      832460        s-trans-Propenoic acid
  274767.7472  0.0058 -5.9643 3  234.1158 69  72503 303341222      341025        s-trans-Propenoic acid
  274772.6501  0.0023 -4.6808 3  126.2748 43  72503 30321 913      20 812        s-trans-Propenoic acid
  274869.2724  0.1125 -6.1859 3  843.8829145  72503 303722349      712448        s-trans-Propenoic acid
  274884.5283  0.0024 -4.6107 3  120.0698 39  72503 303191010      18 9 9        s-trans-Propenoic acid
  274888.0294  0.0024 -4.6107 3  120.0697 39  72503 3031910 9      18 910        s-trans-Propenoic acid
  274908.2374  0.1316 -5.3608 3  788.2695139  72503 303692347      692248        s-trans-Propenoic acid
  274978.7697  0.0265 -4.8753 3  436.8690 95  72503 303472126      472027        s-trans-Propenoic acid
  274978.7818  0.0265 -4.8753 3  436.8690 95  72503 303472127      472028        s-trans-Propenoic acid
  275006.0493  0.0853 -6.0165 3  752.4745137  72503 303682148      672245        s-trans-Propenoic acid
  275097.7208  0.0094 -5.0376 3  286.8916 81  72503 303401030      391129        s-trans-Propenoic acid
  275113.5663  0.7872 -6.2502 3 1292.0771183  72503 303912764      912665        s-trans-Propenoic acid
  275131.3537  0.0636 -6.0163 3  653.1821129  72503 303641748      631845        s-trans-Propenoic acid
  275148.5910  0.0023 -4.6798 3  126.2640 43  72503 30321 912      20 813        s-trans-Propenoic acid
  275153.4608  0.0031 -4.1294 3  292.3905 73  72503 303361819      351818        s-trans-Propenoic acid
  275153.4609  0.0031 -4.1294 3  292.3905 73  72503 303361818      351817        s-trans-Propenoic acid
  275177.5353  0.0730 -5.9384 3  708.9871133  72503 303662047      652144        s-trans-Propenoic acid
  275305.6264  0.4260 -6.3140 3 1331.2292187  72503 303932668      932569        s-trans-Propenoic acid
  275338.3119  0.0633 -5.1105 3  626.9333121  72503 303602238      602139        s-trans-Propenoic acid
  275354.9959  0.0632 -5.1104 3  626.9327121  72503 303602239      602140        s-trans-Propenoic acid
  275511.3636  0.0065 -5.9468 3  262.3221 75  72503 303371225      371028        s-trans-Propenoic acid
  275611.5971  0.2215 -5.5982 3  931.2403153  72503 303762453      762354        s-trans-Propenoic acid
  275656.4470  0.0208 -5.2660 3  351.7153 91  72503 303451233      441332        s-trans-Propenoic acid
  275661.7160  0.1021 -6.0967 3  797.4395141  72503 303702248      692347        s-trans-Propenoic acid
  275708.0725  0.0026 -4.0958 3  284.4441 73  72503 303361720      351719        s-trans-Propenoic acid
  275708.0748  0.0026 -4.0958 3  284.4441 73  72503 303361719      351718        s-trans-Propenoic acid
  275774.7942  0.0260 -4.8633 3  424.8171 93  72503 303462125      462026        s-trans-Propenoic acid
  275774.7993  0.0260 -4.8633 3  424.8171 93  72503 303462126      462027        s-trans-Propenoic acid
  275856.3236  0.4570 -6.1777 3 1258.0891181  72503 303902665      902566        s-trans-Propenoic acid
  275878.8213  0.0040 -6.1378 3   94.6932 33  72503 30316 7 9      15 510        s-trans-Propenoic acid
  275988.1571  0.0055 -4.8909 3  262.3221 77  72503 30338 929      371028        s-trans-Propenoic acid
  276024.0210  0.1006 -5.6183 3  929.9444157  72503 303781960      781861        s-trans-Propenoic acid
  276059.5843  0.3549 -5.7972 3 1044.4795163  72503 303812556      812457        s-trans-Propenoic acid
  276082.7714  0.0072 -5.7180 3  238.6121 71  72503 303351124      35 827        s-trans-Propenoic acid
  276135.0705  0.0081 -6.1719 3  168.3446 55  72503 303271017      27 720        s-trans-Propenoic acid
  276338.2320  0.1562 -5.8244 3 1053.0774167  72503 303832163      832064        s-trans-Propenoic acid
  276379.5720  0.0022 -4.0642 3  276.9903 73  72503 303361621      351620        s-trans-Propenoic acid
  276379.6157  0.0022 -4.0642 3  276.9903 73  72503 303361620      351619        s-trans-Propenoic acid
  276429.8381  0.0043 -5.5054 3  446.0067111  72503 30355 748      55 749        s-trans-Propenoic acid
  276429.8385  0.0043 -5.0303 3  446.0067111  72503 30355 748      55 649        s-trans-Propenoic acid
  276429.8474  0.0043 -5.0303 3  446.0067111  72503 30355 848      55 749        s-trans-Propenoic acid
  276429.8478  0.0043 -5.5054 3  446.0067111  72503 30355 848      55 649        s-trans-Propenoic acid
  276431.4619  0.1005 -6.2553 3  929.9308157  72503 303781960      781761        s-trans-Propenoic acid
  276439.7927  0.0057 -6.0359 3  208.4034 63  72503 303311220      311021        s-trans-Propenoic acid
  276460.8645  0.0465 -5.9521 3  768.4404143  72503 303711556      711557        s-trans-Propenoic acid
  276486.7709  0.0043 -5.0876 3  357.5783101  72503 30350 446      50 347        s-trans-Propenoic acid
  276486.7709  0.0043 -5.5270 3  357.5783101  72503 30350 446      50 447        s-trans-Propenoic acid
  276486.7710  0.0043 -5.5270 3  357.5783101  72503 30350 546      50 347        s-trans-Propenoic acid
  276486.7710  0.0043 -5.0876 3  357.5783101  72503 30350 546      50 447        s-trans-Propenoic acid
  276490.7162  0.0465 -5.3648 3  768.4394143  72503 303711556      711457        s-trans-Propenoic acid
  276515.2384  0.0255 -4.8525 3  413.0327 91  72503 303452124      452025        s-trans-Propenoic acid
  276515.2404  0.0255 -4.8525 3  413.0327 91  72503 303452125      452026        s-trans-Propenoic acid
  276567.1606  0.0037 -6.2250 3   90.5614 31  72503 30315 7 9      14 510        s-trans-Propenoic acid
  276647.5390  0.0736 -5.7619 3  610.4137123  72503 303611843      601942        s-trans-Propenoic acid
  276657.5114  0.0056 -5.9803 3  225.2213 67  72503 303331221      331024        s-trans-Propenoic acid
  276669.5936  0.2276 -6.0508 3 1183.7455177  72503 303882366      882267        s-trans-Propenoic acid
  276716.5091  0.1402 -5.7389 3 1000.9739163  72503 303811962      811863        s-trans-Propenoic acid
  276720.4419  0.0466 -5.3641 3  768.4404143  72503 303711656      711557        s-trans-Propenoic acid
  276722.9412  0.0077 -5.7665 3  229.3457 69  72503 303341123      34 826        s-trans-Propenoic acid
  276750.2936  0.0466 -5.9512 3  768.4394143  72503 303711656      711457        s-trans-Propenoic acid
  277002.3378  0.5288 -6.0113 3 1164.7108173  72503 303862660      862561        s-trans-Propenoic acid
  277003.3588  0.0586 -5.0847 3  611.3721119  72503 303592237      592138        s-trans-Propenoic acid
  277011.9585  0.0586 -5.0847 3  611.3718119  72503 303592238      592139        s-trans-Propenoic acid
  277041.7539  0.0023 -3.8577 3  258.4238 87  72503 30343 142      42 141        s-trans-Propenoic acid
  277041.7539  0.0023 -4.2688 3  258.4238 87  72503 30343 142      42 241        s-trans-Propenoic acid
  277041.7539  0.0023 -4.2688 3  258.4238 87  72503 30343 242      42 141        s-trans-Propenoic acid
  277041.7539  0.0023 -3.8577 3  258.4238 87  72503 30343 242      42 241        s-trans-Propenoic acid
  277043.0612  0.0026 -3.8447 3  258.9403 89  72503 30344 044      43 043        s-trans-Propenoic acid
  277043.0612  0.0026 -4.2332 3  258.9403 89  72503 30344 044      43 143        s-trans-Propenoic acid
  277043.0612  0.0026 -4.2332 3  258.9403 89  72503 30344 144      43 043        s-trans-Propenoic acid
  277043.0612  0.0026 -3.8447 3  258.9403 89  72503 30344 144      43 143        s-trans-Propenoic acid
  277051.0780  0.0020 -3.8698 3  257.3889 85  72503 30342 240      41 239        s-trans-Propenoic acid
  277051.0780  0.0020 -4.3071 3  257.3889 85  72503 30342 240      41 339        s-trans-Propenoic acid
  277051.0780  0.0020 -4.3071 3  257.3889 85  72503 30342 340      41 239        s-trans-Propenoic acid
  277051.0780  0.0020 -3.8698 3  257.3889 85  72503 30342 340      41 339        s-trans-Propenoic acid
  277078.6057  0.2168 -5.5619 3  911.3138151  72503 303752451      752352        s-trans-Propenoic acid
  277085.7772  0.0019 -4.3489 3  255.8227 83  72503 30341 338      40 437        s-trans-Propenoic acid
  277085.7777  0.0019 -3.8809 3  255.8227 83  72503 30341 438      40 437        s-trans-Propenoic acid
  277085.7782  0.0019 -3.8809 3  255.8227 83  72503 30341 338      40 337        s-trans-Propenoic acid
  277085.7787  0.0019 -4.3489 3  255.8227 83  72503 30341 438      40 337        s-trans-Propenoic acid
  277152.4102  0.0061 -5.2783 3  306.7039 95  72503 30347 245      47 146        s-trans-Propenoic acid
  277152.4102  0.0061 -5.6957 3  306.7039 95  72503 30347 245      47 246        s-trans-Propenoic acid
  277152.4102  0.0061 -5.6957 3  306.7039 95  72503 30347 345      47 146        s-trans-Propenoic acid
  277152.4102  0.0061 -5.2783 3  306.7039 95  72503 30347 345      47 246        s-trans-Propenoic acid
  277157.9166  0.0019 -3.9434 3  238.5762 71  72503 303351124      341123        s-trans-Propenoic acid
  277163.0119  0.1230 -5.3268 3  770.2348137  72503 303682345      682246        s-trans-Propenoic acid
  277171.5300  0.0017 -4.3958 3  253.7072 81  72503 30340 436      39 535        s-trans-Propenoic acid
  277171.5609  0.0017 -3.8910 3  253.7072 81  72503 30340 536      39 535        s-trans-Propenoic acid
  277171.5928  0.0017 -3.8910 3  253.7072 81  72503 30340 436      39 435        s-trans-Propenoic acid
  277171.6238  0.0017 -4.3958 3  253.7072 81  72503 30340 536      39 435        s-trans-Propenoic acid
  277203.5854  0.0253 -4.8430 3  401.5149 89  72503 303442123      442024        s-trans-Propenoic acid
  277203.5862  0.0253 -4.8430 3  401.5149 89  72503 303442124      442025        s-trans-Propenoic acid
  277209.3448  0.0018 -4.0343 3  270.0386 73  72503 303361522      351521        s-trans-Propenoic acid
  277210.0468  0.0018 -4.0343 3  270.0386 73  72503 303361521      351520        s-trans-Propenoic acid
  277245.8514  0.0942 -6.0091 3  752.4690137  72503 303682147      672246        s-trans-Propenoic acid
  277251.0010  0.4125 -6.3559 3 1356.0939189  72503 303942669      942570        s-trans-Propenoic acid
  277354.4329  0.0017 -4.4499 3  251.0160 79  72503 30339 534      38 633        s-trans-Propenoic acid
  277355.7536  0.0017 -3.8997 3  251.0160 79  72503 30339 634      38 633        s-trans-Propenoic acid
  277356.9991  0.0017 -3.8997 3  251.0159 79  72503 30339 534      38 533        s-trans-Propenoic acid
  277358.3198  0.0017 -4.4499 3  251.0159 79  72503 30339 634      38 533        s-trans-Propenoic acid
  277422.4215  0.1221 -5.3260 3  770.2249137  72503 303682346      682247        s-trans-Propenoic acid
  277537.1894  0.0017 -4.6061 3  243.7262 75  72503 30337 730      36 829        s-trans-Propenoic acid
  277684.6114  0.0016 -4.5158 3  247.7081 77  72503 30338 632      37 731        s-trans-Propenoic acid
  277723.4340  0.0016 -3.9065 3  247.7081 77  72503 30338 732      37 731        s-trans-Propenoic acid
  277750.5755  0.0308 -5.8533 3  619.6417125  72503 303621746      611843        s-trans-Propenoic acid
  277756.0413  0.0017 -3.9064 3  247.7057 77  72503 30338 632      37 631        s-trans-Propenoic acid
  277788.1349  0.4569 -6.1296 3 1234.2276179  72503 303892664      892565        s-trans-Propenoic acid
  277794.8638  0.0017 -4.5155 3  247.7057 77  72503 30338 732      37 631        s-trans-Propenoic acid
  277798.0864  0.0020 -3.9076 3  229.3457 71  72503 30335 827      34 826        s-trans-Propenoic acid
  277843.0588  0.0251 -4.8349 3  390.2631 87  72503 303432122      432023        s-trans-Propenoic acid
  277843.0591  0.0251 -4.8349 3  390.2631 87  72503 303432123      432024        s-trans-Propenoic acid
  277880.3145  0.0048 -5.5296 3  481.8168115  72503 30357 849      57 850        s-trans-Propenoic acid
  277880.3168  0.0048 -5.0424 3  481.8168115  72503 30357 849      57 750        s-trans-Propenoic acid
  277880.3582  0.0048 -5.0424 3  481.8168115  72503 30357 949      57 850        s-trans-Propenoic acid
  277880.3605  0.0048 -5.5296 3  481.8168115  72503 30357 949      57 750        s-trans-Propenoic acid
  277960.0965  0.3275 -5.8273 3 1065.9223165  72503 303822558      822459        s-trans-Propenoic acid
  278103.0674  0.0038 -5.6450 3  117.1411 43  72503 30321 615      20 416        s-trans-Propenoic acid
  278157.4906  0.0814 -6.1536 3  880.9025153  72503 303761759      761760        s-trans-Propenoic acid
  278175.3275  0.0017 -3.9169 3  239.0762 73  72503 30336 928      35 927        s-trans-Propenoic acid
  278260.0254  0.0016 -4.0061 3  263.6028 73  72503 303361423      351422        s-trans-Propenoic acid
  278269.2890  0.0016 -4.0060 3  263.6031 73  72503 303361422      351421        s-trans-Propenoic acid
  278279.9258  0.0350 -5.8680 3  723.7086139  72503 303691455      691456        s-trans-Propenoic acid
  278289.3902  0.0350 -5.2975 3  723.7083139  72503 303691455      691356        s-trans-Propenoic acid
  278304.3687  0.0017 -3.9112 3  243.7262 75  72503 30337 830      36 829        s-trans-Propenoic acid
  278306.1970  0.0812 -5.5360 3  880.8975153  72503 303761759      761660        s-trans-Propenoic acid
  278324.1787  0.0623 -5.9982 3  461.6381105  72503 303521637      521438        s-trans-Propenoic acid
  278342.1397  0.0414 -5.9217 3  636.2297127  72503 303631747      621844        s-trans-Propenoic acid
  278344.3340  0.0019 -3.9025 3  222.7948 69  72503 30334 925      33 924        s-trans-Propenoic acid
  278370.5295  0.0351 -5.2973 3  723.7086139  72503 303691555      691456        s-trans-Propenoic acid
  278379.9939  0.0351 -5.8677 3  723.7083139  72503 303691555      691356        s-trans-Propenoic acid
  278436.6522  0.0251 -4.8280 3  379.2763 85  72503 303422121      422022        s-trans-Propenoic acid
  278436.6523  0.0251 -4.8280 3  379.2763 85  72503 303422122      422023        s-trans-Propenoic acid
  278441.4526  0.0023 -4.8002 3  134.1406 47  72503 30323 815      22 716        s-trans-Propenoic acid
  278553.0851  0.0544 -5.0601 3  596.0899117  72503 303582236      582137        s-trans-Propenoic acid
  278557.4401  0.0543 -5.0601 3  596.0898117  72503 303582237      582138        s-trans-Propenoic acid
  278634.4815  0.0042 -6.0478 3   98.9793 35  72503 30317 710      16 511        s-trans-Propenoic acid
  278723.0994  0.2074 -5.5569 3  911.2497151  72503 303752452      752353        s-trans-Propenoic acid
  278793.8018  0.0024 -4.7249 3  248.3552 75  72503 30337 829      36 928        s-trans-Propenoic acid
  278849.4771  0.0017 -3.9094 3  243.6824 75  72503 30337 730      36 729        s-trans-Propenoic acid
  278870.9506  0.0043 -5.0516 3  390.0567105  72503 30352 547      52 448        s-trans-Propenoic acid
  278870.9506  0.0043 -5.5021 3  390.0567105  72503 30352 547      52 548        s-trans-Propenoic acid
  278870.9508  0.0043 -5.5021 3  390.0567105  72503 30352 647      52 448        s-trans-Propenoic acid
  278870.9508  0.0043 -5.0516 3  390.0567105  72503 30352 647      52 548        s-trans-Propenoic acid
  278987.1544  0.0252 -4.8226 3  368.5540 83  72503 303412120      412021        s-trans-Propenoic acid
  278987.1544  0.0252 -4.8226 3  368.5540 83  72503 303412121      412022        s-trans-Propenoic acid
  278990.5409  0.0061 -5.5646 3  518.9288119  72503 30359 950      59 951        s-trans-Propenoic acid
  278990.5524  0.0061 -5.0649 3  518.9288119  72503 30359 950      59 851        s-trans-Propenoic acid
  278990.7281  0.0061 -5.0649 3  518.9288119  72503 303591050      59 951        s-trans-Propenoic acid
  278990.7395  0.0061 -5.5646 3  518.9288119  72503 303591050      59 851        s-trans-Propenoic acid
  279028.8919  0.0054 -6.0001 3  216.5918 65  72503 303321220      321023        s-trans-Propenoic acid
  279082.8190  0.1862 -5.8613 3 1074.7044169  72503 303842064      841965        s-trans-Propenoic acid
  279156.8814  0.0056 -4.4635 3  114.2599 29  72503 3031413 1      1312 2        s-trans-Propenoic acid
  279156.8814  0.0056 -4.4635 3  114.2599 29  72503 3031413 2      1312 1        s-trans-Propenoic acid
  279158.1219  0.0190 -5.7382 3  525.2285 75  72503 3033736 1      3636 0        s-trans-Propenoic acid
  279158.1219  0.0190 -5.7382 3  525.2285 75  72503 3033736 2      3636 1        s-trans-Propenoic acid
  279252.5192  0.0179 -5.4088 3  508.8451 75  72503 3033735 2      3635 1        s-trans-Propenoic acid
  279252.5192  0.0179 -5.4088 3  508.8451 75  72503 3033735 3      3635 2        s-trans-Propenoic acid
  279267.4094  0.0803 -5.5331 3  880.9025153  72503 303761859      761760        s-trans-Propenoic acid
  279283.7178  0.3265 -6.2915 3 1321.9133187  72503 303932569      932470        s-trans-Propenoic acid
  279352.0666  0.0167 -5.2053 3  492.9242 75  72503 3033734 3      3634 2        s-trans-Propenoic acid
  279352.0666  0.0167 -5.2053 3  492.9242 75  72503 3033734 4      3634 3        s-trans-Propenoic acid
  279416.1157  0.0804 -6.1499 3  880.8975153  72503 303761859      761660        s-trans-Propenoic acid
  279418.8732  0.0258 -5.7917 3  680.2215135  72503 303671354      671355        s-trans-Propenoic acid
  279421.7036  0.0258 -5.2369 3  680.2214135  72503 303671354      671255        s-trans-Propenoic acid
  279425.8821  0.0070 -5.9562 3  272.2063 77  72503 303381226      381029        s-trans-Propenoic acid
  279448.7491  0.0258 -5.2368 3  680.2215135  72503 303671454      671355        s-trans-Propenoic acid
  279451.5794  0.0258 -5.7916 3  680.2214135  72503 303671454      671255        s-trans-Propenoic acid
  279457.5030  0.0156 -5.0540 3  477.4661 75  72503 3033733 4      3633 3        s-trans-Propenoic acid
  279457.5030  0.0156 -5.0540 3  477.4661 75  72503 3033733 5      3633 4        s-trans-Propenoic acid
  279488.1052  0.0049 -6.0564 3   91.0044 35  72503 30317 314      16 215        s-trans-Propenoic acid
  279490.0450  0.0093 -6.3542 3  204.4727 65  72503 30332 923      32 726        s-trans-Propenoic acid
  279497.1708  0.0253 -4.8187 3  358.0954 81  72503 303402119      402020        s-trans-Propenoic acid
  279497.1708  0.0253 -4.8187 3  358.0954 81  72503 303402120      402021        s-trans-Propenoic acid
  279569.6865  0.0146 -4.9317 3  462.4713 75  72503 3033732 5      3632 4        s-trans-Propenoic acid
  279569.6865  0.0146 -4.9317 3  462.4713 75  72503 3033732 6      3632 5        s-trans-Propenoic acid
  279612.2997  0.0015 -3.9791 3  257.7034 73  72503 303361324      351323        s-trans-Propenoic acid
  279616.6564  0.0018 -4.5992 3  243.6824 75  72503 30337 830      36 729        s-trans-Propenoic acid
  279633.5643  0.1136 -5.2929 3  752.4745135  72503 303672344      672245        s-trans-Propenoic acid
  279689.6188  0.0135 -4.8283 3  447.9400 75  72503 3033731 6      3631 5        s-trans-Propenoic acid
  279689.6188  0.0135 -4.8283 3  447.9400 75  72503 3033731 7      3631 6        s-trans-Propenoic acid
  279710.2424  0.0015 -3.9788 3  257.7067 73  72503 303361323      351322        s-trans-Propenoic acid
  279735.1727  0.0087 -5.6090 3  557.3342123  72503 303611051      611052        s-trans-Propenoic acid
  279735.2236  0.0087 -5.0965 3  557.3342123  72503 303611051      61 952        s-trans-Propenoic acid
  279735.9116  0.0087 -5.0965 3  557.3342123  72503 303611151      611052        s-trans-Propenoic acid
  279735.9625  0.0087 -5.6090 3  557.3342123  72503 303611151      61 952        s-trans-Propenoic acid
  279779.0757  0.1132 -5.2925 3  752.4690135  72503 303672345      672246        s-trans-Propenoic acid
  279818.4754  0.0125 -4.7381 3  433.8728 75  72503 3033730 7      3630 6        s-trans-Propenoic acid
  279818.4754  0.0125 -4.7381 3  433.8728 75  72503 3033730 8      3630 7        s-trans-Propenoic acid
  279957.6438  0.0116 -4.6578 3  420.2701 75  72503 3033729 8      3629 7        s-trans-Propenoic acid
  279957.6438  0.0116 -4.6578 3  420.2701 75  72503 3033729 9      3629 8        s-trans-Propenoic acid
  279969.1422  0.0255 -4.8163 3  347.8999 79  72503 303392118      392019        s-trans-Propenoic acid
  279969.1422  0.0255 -4.8163 3  347.8999 79  72503 303392119      392020        s-trans-Propenoic acid
  279995.0707  0.0184 -5.7230 3  637.9900131  72503 303651253      651254        s-trans-Propenoic acid
  279995.8659  0.0184 -5.1830 3  637.9900131  72503 303651253      651154        s-trans-Propenoic acid
  279997.4747  0.0505 -5.0367 3  581.0852115  72503 303572235      572136        s-trans-Propenoic acid
  279999.6408  0.0505 -5.0367 3  581.0851115  72503 303572236      572137        s-trans-Propenoic acid
  280004.1269  0.0096 -5.9594 3  267.2952 75  72503 303371325      371126        s-trans-Propenoic acid
  280004.3546  0.0184 -5.1830 3  637.9900131  72503 303651353      651254        s-trans-Propenoic acid
  280005.1499  0.0184 -5.7230 3  637.9900131  72503 303651353      651154        s-trans-Propenoic acid
  280059.2727  0.1506 -6.1180 3  609.8798123  72503 303611844      611645        s-trans-Propenoic acid
  280070.8653  0.0049 -5.1578 3  337.1277 99  72503 30349 346      49 247        s-trans-Propenoic acid
  280070.8653  0.0049 -5.5856 3  337.1277 99  72503 30349 346      49 347        s-trans-Propenoic acid
  280070.8653  0.0049 -5.5856 3  337.1277 99  72503 30349 446      49 247        s-trans-Propenoic acid
  280070.8653  0.0049 -5.1578 3  337.1277 99  72503 30349 446      49 347        s-trans-Propenoic acid
  280083.1156  0.0127 -5.6620 3  597.0244127  72503 303631152      631153        s-trans-Propenoic acid
  280083.3245  0.0127 -5.1360 3  597.0244127  72503 303631152      631053        s-trans-Propenoic acid
  280085.8249  0.0127 -5.1360 3  597.0244127  72503 303631252      631153        s-trans-Propenoic acid
  280086.0338  0.0127 -5.6620 3  597.0244127  72503 303631252      631053        s-trans-Propenoic acid
  280087.6194  0.0073 -5.6992 3  248.0479 73  72503 303361125      36 828        s-trans-Propenoic acid
  280108.7718  0.0106 -4.5855 3  407.1325 75  72503 3033728 9      3628 8        s-trans-Propenoic acid
  280108.7718  0.0106 -4.5855 3  407.1325 75  72503 303372810      3628 9        s-trans-Propenoic acid
  280123.2337  0.0603 -5.5968 3  520.0062113  72503 303561640      551739        s-trans-Propenoic acid
  280170.0751  0.2858 -6.3019 3  781.1487141  72503 303702051      701852        s-trans-Propenoic acid
  280177.5551  0.0897 -5.9217 3  708.9737133  72503 303662046      652145        s-trans-Propenoic acid
  280194.1615  0.1945 -5.9473 3 1128.6554173  72503 303862265      862166        s-trans-Propenoic acid
  280209.4256  0.0080 -5.5279 3  287.2862 93  72503 30346 145      46 046        s-trans-Propenoic acid
  280209.4256  0.0080 -5.9347 3  287.2862 93  72503 30346 145      46 146        s-trans-Propenoic acid
  280209.4256  0.0080 -5.9347 3  287.2862 93  72503 30346 245      46 046        s-trans-Propenoic acid
  280209.4256  0.0080 -5.5279 3  287.2862 93  72503 30346 245      46 146        s-trans-Propenoic acid
  280212.0709  0.1291 -5.7285 3 1000.9955163  72503 303812062      811963        s-trans-Propenoic acid
  280273.8298  0.0097 -4.5196 3  394.4606 75  72503 303372710      3627 9        s-trans-Propenoic acid
  280273.8298  0.0097 -4.5196 3  394.4606 75  72503 303372711      362710        s-trans-Propenoic acid
  280330.4921  0.4508 -6.0808 3 1210.6407177  72503 303882663      882564        s-trans-Propenoic acid
  280380.1265  0.0040 -4.5030 3  116.2793 33  72503 3031612 5      1511 4        s-trans-Propenoic acid
  280380.1266  0.0040 -4.5030 3  116.2793 33  72503 3031612 4      1511 5        s-trans-Propenoic acid
  280405.3607  0.0257 -4.8156 3  337.9668 77  72503 303382117      382018        s-trans-Propenoic acid
  280405.3607  0.0257 -4.8156 3  337.9668 77  72503 303382118      382019        s-trans-Propenoic acid
  280455.1914  0.0089 -4.4590 3  382.2552 75  72503 303372611      362610        s-trans-Propenoic acid
  280455.1914  0.0089 -4.4590 3  382.2552 75  72503 303372612      362611        s-trans-Propenoic acid
  280519.9872  0.0043 -5.9547 3  103.5707 37  72503 30318 711      17 512        s-trans-Propenoic acid
  280655.7400  0.0080 -4.4031 3  370.5172 75  72503 303372512      362511        s-trans-Propenoic acid
  280655.7400  0.0080 -4.4031 3  370.5172 75  72503 303372513      362512        s-trans-Propenoic acid
  280661.5448  0.2485 -5.9927 3 1151.1152175  72503 303872166      872067        s-trans-Propenoic acid
  280727.5813  0.1989 -5.5197 3  891.5913149  72503 303742450      742351        s-trans-Propenoic acid
  280747.9398  0.0091 -5.9581 3  204.4307 65  72503 30332 923      32 626        s-trans-Propenoic acid
  280798.1284  0.2774 -6.1846 3 1263.8283183  72503 303912468      912369        s-trans-Propenoic acid
  280807.9836  0.0259 -4.8167 3  328.2956 75  72503 303372116      372017        s-trans-Propenoic acid
  280807.9836  0.0259 -4.8167 3  328.2956 75  72503 303372117      372018        s-trans-Propenoic acid
  280879.0101  0.0072 -4.3513 3  359.2477 75  72503 303372413      362412        s-trans-Propenoic acid
  280879.0101  0.0072 -4.3513 3  359.2477 75  72503 303372414      362413        s-trans-Propenoic acid
  280940.2596  0.4495 -6.2834 3 1311.9456187  72503 303932370      932271        s-trans-Propenoic acid
  280976.6829  0.0044 -5.0369 3  423.8618109  72503 30354 648      54 549        s-trans-Propenoic acid
  280976.6829  0.0044 -5.4985 3  423.8618109  72503 30354 648      54 649        s-trans-Propenoic acid
  280976.6838  0.0044 -5.4985 3  423.8618109  72503 30354 748      54 549        s-trans-Propenoic acid
  280976.6838  0.0044 -5.0369 3  423.8618109  72503 30354 748      54 649        s-trans-Propenoic acid
  281129.3798  0.0065 -4.3030 3  348.4480 75  72503 303372314      362313        s-trans-Propenoic acid
  281129.3798  0.0065 -4.3030 3  348.4480 75  72503 303372315      362314        s-trans-Propenoic acid
  281179.0460  0.0262 -4.8197 3  318.8855 73  72503 303362115      362016        s-trans-Propenoic acid
  281179.0460  0.0262 -4.8197 3  318.8855 73  72503 303362116      362017        s-trans-Propenoic acid
  281248.5331  0.0015 -3.9534 3  252.3663 73  72503 303361225      351224        s-trans-Propenoic acid
  281277.7186  0.3113 -5.7814 3 1044.2704163  72503 303812557      812458        s-trans-Propenoic acid
  281325.2795  0.3336 -6.1334 3 1230.1984181  72503 303902268      902169        s-trans-Propenoic acid
  281326.7331  0.3202 -5.7461 3 1023.0429161  72503 303802555      802456        s-trans-Propenoic acid
  281331.6661  0.0052 -6.0574 3  200.2435 61  72503 303301219      301020        s-trans-Propenoic acid
  281345.0279  0.0471 -5.0143 3  566.3566113  72503 303562234      562135        s-trans-Propenoic acid
  281346.0858  0.0471 -5.0143 3  566.3565113  72503 303562235      562136        s-trans-Propenoic acid
  281412.3358  0.0057 -4.2580 3  338.1196 75  72503 303372215      362214        s-trans-Propenoic acid
  281412.3358  0.0057 -4.2580 3  338.1196 75  72503 303372216      362215        s-trans-Propenoic acid
  281473.0834  0.0084 -5.8403 3  220.2546 67  72503 303331122      33 825        s-trans-Propenoic acid
  281489.2683  0.0029 -4.5460 3  119.8199 37  72503 3031811 8      1710 7        s-trans-Propenoic acid
  281489.3049  0.0029 -4.5460 3  119.8199 37  72503 3031811 7      1710 8        s-trans-Propenoic acid
  281512.9168  0.0630 -6.0532 3  833.0719149  72503 303741658      741659        s-trans-Propenoic acid
  281520.4708  0.0265 -4.8248 3  309.7361 71  72503 303352114      352015        s-trans-Propenoic acid
  281520.4708  0.0265 -4.8248 3  309.7361 71  72503 303352115      352016        s-trans-Propenoic acid
  281563.5906  0.0023 -4.6759 3  131.7077 45  72503 30322 914      21 813        s-trans-Propenoic acid
  281564.4633  0.0630 -5.4546 3  833.0701149  72503 303741658      741559        s-trans-Propenoic acid
  281626.6412  0.0037 -5.8613 3   95.9985 35  72503 30317 612      16 313        s-trans-Propenoic acid
  281633.7387  0.0052 -6.0233 3  208.2322 63  72503 303311219      311022        s-trans-Propenoic acid
  281711.0709  0.1936 -5.5167 3  891.5533149  72503 303742451      742352        s-trans-Propenoic acid
  281734.8478  0.0050 -4.2159 3  328.2646 75  72503 303372116      362115        s-trans-Propenoic acid
  281734.8478  0.0050 -4.2159 3  328.2646 75  72503 303372117      362116        s-trans-Propenoic acid
  281773.2569  0.0452 -5.8214 3  642.8268127  72503 303631846      621943        s-trans-Propenoic acid
  281834.0783  0.0268 -4.8322 3  300.8469 69  72503 303342113      342014        s-trans-Propenoic acid
  281834.0783  0.0268 -4.8322 3  300.8469 69  72503 303342114      342015        s-trans-Propenoic acid
  281903.1384  0.1051 -5.2604 3  735.0029133  72503 303662343      662244        s-trans-Propenoic acid
  281935.8592  0.0631 -5.4535 3  833.0719149  72503 303741758      741659        s-trans-Propenoic acid
  281945.4747  0.0017 -3.9178 3  243.2690 73  72503 303361027      351026        s-trans-Propenoic acid
  281983.4149  0.1049 -5.2602 3  734.9999133  72503 303662344      662245        s-trans-Propenoic acid
  281987.4057  0.0631 -6.0518 3  833.0701149  72503 303741758      741559        s-trans-Propenoic acid
  282039.9931  0.0016 -3.9510 3  252.3979 73  72503 303361224      351223        s-trans-Propenoic acid
  282043.1347  0.0042 -5.8559 3  108.4571 39  72503 30319 712      18 513        s-trans-Propenoic acid
  282086.0014  0.1077 -6.2714 3  950.1033159  72503 303791861      791862        s-trans-Propenoic acid
  282105.9101  0.0044 -4.1764 3  318.8855 75  72503 303372017      362016        s-trans-Propenoic acid
  282105.9101  0.0044 -4.1764 3  318.8855 75  72503 303372018      362017        s-trans-Propenoic acid
  282121.5946  0.0271 -4.8422 3  292.2172 67  72503 303332112      332013        s-trans-Propenoic acid
  282121.5946  0.0271 -4.8422 3  292.2172 67  72503 303332113      332014        s-trans-Propenoic acid
  282245.8344  0.0024 -4.5988 3  124.9273 41  72503 303201011      19 910        s-trans-Propenoic acid
  282255.4623  0.0024 -4.5988 3  124.9270 41  72503 303201010      19 911        s-trans-Propenoic acid
  282329.3982  0.1071 -5.6416 3  950.0952159  72503 303791861      791762        s-trans-Propenoic acid
  282365.2969  0.0023 -4.6740 3  131.6850 45  72503 30322 913      21 814        s-trans-Propenoic acid
  282384.6581  0.0274 -4.8551 3  283.8467 65  72503 303322111      322012        s-trans-Propenoic acid
  282384.6581  0.0274 -4.8551 3  283.8467 65  72503 303322112      322013        s-trans-Propenoic acid
  282537.3504  0.0038 -4.1394 3  309.9855 75  72503 303371918      361917        s-trans-Propenoic acid
  282537.3504  0.0038 -4.1394 3  309.9855 75  72503 303371919      361918        s-trans-Propenoic acid
  282564.0227  0.0016 -3.9312 3  247.5939 73  72503 303361126      351125        s-trans-Propenoic acid
  282603.1203  0.0441 -4.9931 3  551.9028111  72503 303552233      552134        s-trans-Propenoic acid
  282603.6274  0.0441 -4.9931 3  551.9028111  72503 303552234      552135        s-trans-Propenoic acid
  282624.8265  0.0277 -4.8714 3  275.7347 63  72503 303312110      312011        s-trans-Propenoic acid
  282624.8265  0.0277 -4.8714 3  275.7347 63  72503 303312111      312012        s-trans-Propenoic acid
  282739.4046  0.0044 -5.0919 3  368.8941103  72503 30351 447      51 348        s-trans-Propenoic acid
  282739.4046  0.0044 -5.5302 3  368.8941103  72503 30351 447      51 448        s-trans-Propenoic acid
  282739.4046  0.0044 -5.5302 3  368.8941103  72503 30351 547      51 348        s-trans-Propenoic acid
  282739.4046  0.0044 -5.0919 3  368.8941103  72503 30351 547      51 448        s-trans-Propenoic acid
  282790.0250  0.0047 -5.5109 3  458.9860113  72503 30356 749      56 750        s-trans-Propenoic acid
  282790.0252  0.0047 -5.0378 3  458.9860113  72503 30356 749      56 650        s-trans-Propenoic acid
  282790.0297  0.0047 -5.0378 3  458.9860113  72503 30356 849      56 750        s-trans-Propenoic acid
  282790.0299  0.0047 -5.5109 3  458.9860113  72503 30356 849      56 650        s-trans-Propenoic acid
  282811.2558  0.0057 -5.5258 3  109.6129 41  72503 30320 515      19 416        s-trans-Propenoic acid
  282843.5819  0.0281 -4.8915 3  267.8809 61  72503 3033021 9      302010        s-trans-Propenoic acid
  282843.5819  0.0281 -4.8915 3  267.8809 61  72503 303302110      302011        s-trans-Propenoic acid
  282844.4311  0.0039 -5.0218 3  131.1957 47  72503 30323 716      22 617        s-trans-Propenoic acid
  282877.8830  0.0020 -3.8997 3  238.6121 73  72503 30336 828      35 827        s-trans-Propenoic acid
  282991.5363  0.1465 -6.2460 3  748.0095139  72503 303691852      681949        s-trans-Propenoic acid
  283042.3358  0.0284 -4.9163 3  260.2847 59  72503 3032921 8      2920 9        s-trans-Propenoic acid
  283042.3358  0.0284 -4.9163 3  260.2847 59  72503 3032921 9      292010        s-trans-Propenoic acid
  283045.0811  0.0032 -4.1047 3  301.5687 75  72503 303371820      361819        s-trans-Propenoic acid
  283045.0814  0.0032 -4.1047 3  301.5687 75  72503 303371819      361818        s-trans-Propenoic acid
  283108.7810  0.0086 -6.0769 3  257.8517 75  72503 303371126      37 929        s-trans-Propenoic acid
  283222.4332  0.0287 -4.9467 3  252.9458 57  72503 3032821 7      2820 8        s-trans-Propenoic acid
  283222.4332  0.0287 -4.9467 3  252.9458 57  72503 3032821 8      2820 9        s-trans-Propenoic acid
  283261.2627  0.0024 -3.8477 3  267.6649 89  72503 30344 143      43 142        s-trans-Propenoic acid
  283261.2627  0.0024 -4.2580 3  267.6649 89  72503 30344 143      43 242        s-trans-Propenoic acid
  283261.2627  0.0024 -4.2580 3  267.6649 89  72503 30344 243      43 142        s-trans-Propenoic acid
  283261.2627  0.0024 -3.8477 3  267.6649 89  72503 30344 243      43 242        s-trans-Propenoic acid
  283262.7911  0.0028 -3.8351 3  268.1815 91  72503 30345 045      44 044        s-trans-Propenoic acid
  283262.7911  0.0028 -4.2233 3  268.1815 91  72503 30345 045      44 144        s-trans-Propenoic acid
  283262.7911  0.0028 -4.2233 3  268.1815 91  72503 30345 145      44 044        s-trans-Propenoic acid
  283262.7911  0.0028 -3.8351 3  268.1815 91  72503 30345 145      44 144        s-trans-Propenoic acid
  283269.6667  0.0022 -3.8595 3  266.6303 87  72503 30343 241      42 240        s-trans-Propenoic acid
  283269.6667  0.0022 -4.2952 3  266.6303 87  72503 30343 241      42 340        s-trans-Propenoic acid
  283269.6667  0.0022 -4.2952 3  266.6303 87  72503 30343 341      42 240        s-trans-Propenoic acid
  283269.6667  0.0022 -3.8595 3  266.6303 87  72503 30343 341      42 340        s-trans-Propenoic acid
  283301.7445  0.0020 -4.3358 3  265.0653 85  72503 30342 339      41 438        s-trans-Propenoic acid
  283301.7448  0.0020 -3.8703 3  265.0653 85  72503 30342 439      41 438        s-trans-Propenoic acid
  283301.7450  0.0020 -3.8703 3  265.0653 85  72503 30342 339      41 338        s-trans-Propenoic acid
  283301.7453  0.0020 -4.3358 3  265.0653 85  72503 30342 439      41 338        s-trans-Propenoic acid
  283313.6373  0.4392 -6.0317 3 1187.3360175  72503 303872662      872563        s-trans-Propenoic acid
  283370.3488  0.0300 -5.3327 3  393.3521 97  72503 303481335      471434        s-trans-Propenoic acid
  283374.6177  0.0061 -5.2806 3  316.9822 97  72503 30348 246      48 147        s-trans-Propenoic acid
  283374.6177  0.0061 -5.6975 3  316.9822 97  72503 30348 246      48 247        s-trans-Propenoic acid
  283374.6177  0.0061 -5.6975 3  316.9822 97  72503 30348 346      48 147        s-trans-Propenoic acid
  283374.6177  0.0061 -5.2806 3  316.9822 97  72503 30348 346      48 247        s-trans-Propenoic acid
  283381.0663  0.0018 -4.3809 3  262.9527 83  72503 30341 437      40 536        s-trans-Propenoic acid
  283381.0815  0.0018 -3.8801 3  262.9527 83  72503 30341 537      40 536        s-trans-Propenoic acid
  283381.0973  0.0018 -3.8801 3  262.9527 83  72503 30341 437      40 436        s-trans-Propenoic acid
  283381.1124  0.0018 -4.3809 3  262.9527 83  72503 30341 537      40 436        s-trans-Propenoic acid
  283385.1567  0.0290 -4.9841 3  245.8637 55  72503 3032721 6      2720 7        s-trans-Propenoic acid
  283385.1567  0.0290 -4.9841 3  245.8637 55  72503 3032721 7      2720 8        s-trans-Propenoic acid
  283420.3329  0.0342 -5.9596 3  389.6825 95  72503 303471533      471334        s-trans-Propenoic acid
  283531.7295  0.0294 -5.0306 3  239.0381 53  72503 3032621 5      2620 6        s-trans-Propenoic acid
  283531.7295  0.0294 -5.0306 3  239.0381 53  72503 3032621 6      2620 7        s-trans-Propenoic acid
  283549.7042  0.0018 -4.4327 3  260.2676 81  72503 30340 535      39 634        s-trans-Propenoic acid
  283550.3794  0.0018 -3.8885 3  260.2676 81  72503 30340 635      39 634        s-trans-Propenoic acid
  283551.0248  0.0018 -3.8885 3  260.2675 81  72503 30340 535      39 534        s-trans-Propenoic acid
  283551.7000  0.0018 -4.4327 3  260.2675 81  72503 30340 635      39 534        s-trans-Propenoic acid
  283651.1291  0.0027 -4.0720 3  293.6407 75  72503 303371721      361720        s-trans-Propenoic acid
  283651.1350  0.0027 -4.0720 3  293.6407 75  72503 303371720      361719        s-trans-Propenoic acid
  283663.3183  0.0297 -5.0895 3  232.4685 51  72503 3032521 4      2520 5        s-trans-Propenoic acid
  283663.3183  0.0297 -5.0895 3  232.4685 51  72503 3032521 5      2520 6        s-trans-Propenoic acid
  283778.1378  0.4710 -5.9526 3 1141.8454171  72503 303852659      852560        s-trans-Propenoic acid
  283778.2480  0.0414 -4.9729 3  537.7228109  72503 303542232      542133        s-trans-Propenoic acid
  283778.4865  0.0414 -4.9729 3  537.7228109  72503 303542233      542134        s-trans-Propenoic acid
  283781.0359  0.0300 -5.1662 3  226.1546 49  72503 3032421 3      2420 4        s-trans-Propenoic acid
  283781.0359  0.0300 -5.1662 3  226.1546 49  72503 3032421 4      2420 5        s-trans-Propenoic acid
  283805.8167  0.1047 -5.6373 3  950.1033159  72503 303791961      791862        s-trans-Propenoic acid
  283836.4129  0.0485 -5.9615 3  786.4654145  72503 303721557      721558        s-trans-Propenoic acid
  283853.3607  0.0485 -5.3803 3  786.4648145  72503 303721557      721458        s-trans-Propenoic acid
  283859.4343  0.0037 -6.1343 3   94.4213 33  72503 30316 710      15 511        s-trans-Propenoic acid
  283867.1997  0.0017 -4.4948 3  256.9719 79  72503 30339 633      38 732        s-trans-Propenoic acid
  283870.7065  0.6940 -6.1825 3 1267.7522181  72503 303902763      902664        s-trans-Propenoic acid
  283885.9433  0.0303 -5.2709 3  220.0960 47  72503 3032321 2      2320 3        s-trans-Propenoic acid
  283885.9433  0.0303 -5.2709 3  220.0960 47  72503 3032321 3      2320 4        s-trans-Propenoic acid
  283888.1000  0.0017 -3.8952 3  256.9719 79  72503 30339 733      38 732        s-trans-Propenoic acid
  283906.0223  0.0017 -3.8951 3  256.9706 79  72503 30339 633      38 632        s-trans-Propenoic acid
  283926.9225  0.0017 -4.4946 3  256.9706 79  72503 30339 733      38 632        s-trans-Propenoic acid
  283949.2250  0.0040 -5.7531 3  113.6223 41  72503 30320 713      19 514        s-trans-Propenoic acid
  283973.2272  0.1834 -5.4795 3  872.1723147  72503 303732449      732350        s-trans-Propenoic acid
  283979.0519  0.0306 -5.4267 3  214.2924 45  72503 3032221 1      2220 2        s-trans-Propenoic acid
  283979.0519  0.0306 -5.4267 3  214.2924 45  72503 3032221 2      2220 3        s-trans-Propenoic acid
  283989.1088  0.0486 -5.3799 3  786.4654145  72503 303721657      721558        s-trans-Propenoic acid
  283996.6292  0.2390 -6.0772 3 1206.9138179  72503 303892367      892268        s-trans-Propenoic acid
  283999.7216  0.0973 -5.2291 3  717.8177131  72503 303652342      652243        s-trans-Propenoic acid
  284006.0566  0.0487 -5.9610 3  786.4648145  72503 303721657      721458        s-trans-Propenoic acid
  284015.7809  0.0023 -3.9042 3  234.8221 71  72503 303351025      341024        s-trans-Propenoic acid
  284024.5706  0.0017 -4.5770 3  253.0094 77  72503 30338 731      37 830        s-trans-Propenoic acid
  284033.1456  0.0044 -6.0500 3   91.0032 35  72503 30317 414      16 115        s-trans-Propenoic acid
  284043.2841  0.0972 -5.2290 3  717.8160131  72503 303652343      652244        s-trans-Propenoic acid
  284049.2136  0.1048 -6.2658 3  950.0952159  72503 303791961      791762        s-trans-Propenoic acid
  284061.3246  0.0309 -5.7074 3  208.7434 43  72503 3032121 0      2120 1        s-trans-Propenoic acid
  284061.3246  0.0309 -5.7074 3  208.7434 43  72503 3032121 1      2120 2        s-trans-Propenoic acid
  284193.7192  0.1633 -5.8463 3 1074.7382169  72503 303842164      842065        s-trans-Propenoic acid
  284287.5694  0.0050 -6.0501 3  200.1458 61  72503 303301218      301021        s-trans-Propenoic acid
  284294.5970  0.0052 -5.5360 3  495.4212117  72503 30358 850      58 851        s-trans-Propenoic acid
  284294.5981  0.0052 -5.0512 3  495.4212117  72503 30358 850      58 751        s-trans-Propenoic acid
  284294.6194  0.0052 -5.0512 3  495.4212117  72503 30358 950      58 851        s-trans-Propenoic acid
  284294.6205  0.0052 -5.5360 3  495.4212117  72503 30358 950      58 751        s-trans-Propenoic acid
  284338.5637  0.0175 -5.9433 3  324.8929 85  72503 303421429      421230        s-trans-Propenoic acid
  284387.0997  0.0022 -4.0413 3  286.2093 75  72503 303371622      361621        s-trans-Propenoic acid
  284387.2043  0.0022 -4.0413 3  286.2093 75  72503 303371621      361620        s-trans-Propenoic acid
  284420.9736  0.0054 -5.8864 3  109.5592 41  72503 30320 515      19 316        s-trans-Propenoic acid
  284466.2941  0.0017 -3.8997 3  253.0094 77  72503 30338 831      37 830        s-trans-Propenoic acid
  284551.2785  0.1805 -5.4778 3  872.1501147  72503 303732450      732351        s-trans-Propenoic acid
  284604.4482  0.2941 -5.7363 3 1022.9130161  72503 303802556      802457        s-trans-Propenoic acid
  284698.2739  0.0017 -3.9037 3  248.3552 75  72503 30337 929      36 928        s-trans-Propenoic acid
  284791.7499  0.0017 -3.8986 3  252.9838 77  72503 30338 731      37 730        s-trans-Propenoic acid
  284876.1993  0.0391 -4.9538 3  523.8154107  72503 303532231      532132        s-trans-Propenoic acid
  284876.3093  0.0391 -4.9538 3  523.8154107  72503 303532232      532133        s-trans-Propenoic acid
  285120.3383  0.3360 -6.3246 3 1346.5833189  72503 303942570      942471        s-trans-Propenoic acid
  285148.3551  0.0044 -5.0573 3  401.9953107  72503 30353 548      53 449        s-trans-Propenoic acid
  285148.3551  0.0044 -5.5064 3  401.9953107  72503 30353 548      53 549        s-trans-Propenoic acid
  285148.3551  0.0044 -5.5064 3  401.9953107  72503 30353 648      53 449        s-trans-Propenoic acid
  285148.3551  0.0044 -5.0573 3  401.9953107  72503 30353 648      53 549        s-trans-Propenoic acid
  285233.4735  0.0018 -4.5731 3  252.9838 77  72503 30338 831      37 730        s-trans-Propenoic acid
  285245.7427  0.0049 -6.0845 3  192.3884 59  72503 303291218      291019        s-trans-Propenoic acid
  285271.2836  0.0623 -5.8686 3  683.7894131  72503 303651947      642044        s-trans-Propenoic acid
  285300.1766  0.0018 -4.0121 3  279.2853 75  72503 303371523      361522        s-trans-Propenoic acid
  285301.7353  0.0018 -4.0121 3  279.2854 75  72503 303371522      361521        s-trans-Propenoic acid
  285397.0705  0.0367 -5.8777 3  741.0952141  72503 303701456      701457        s-trans-Propenoic acid
  285400.5029  0.1359 -6.2758 3  911.0269151  72503 303752452      742549        s-trans-Propenoic acid
  285402.3443  0.0367 -5.3125 3  741.0950141  72503 303701456      701357        s-trans-Propenoic acid
  285407.8175  0.0890 -5.8319 3  666.9552129  72503 303641945      632044        s-trans-Propenoic acid
  285449.2752  0.0368 -5.3123 3  741.0952141  72503 303701556      701457        s-trans-Propenoic acid
  285454.5491  0.0368 -5.8775 3  741.0950141  72503 303701556      701357        s-trans-Propenoic acid
  285471.0144  0.0066 -5.5719 3  533.1595121  72503 30360 951      60 952        s-trans-Propenoic acid
  285471.0203  0.0066 -5.0749 3  533.1595121  72503 30360 951      60 852        s-trans-Propenoic acid
  285471.1123  0.0066 -5.0749 3  533.1595121  72503 303601051      60 952        s-trans-Propenoic acid
  285471.1182  0.0066 -5.5719 3  533.1595121  72503 303601051      60 852        s-trans-Propenoic acid
  285661.4956  0.1211 -6.1838 3  862.6215147  72503 303732351      722448        s-trans-Propenoic acid
  285698.7139  0.1379 -6.2749 3  911.0263151  72503 303752451      742550        s-trans-Propenoic acid
  285848.0617  0.2918 -5.6982 3 1001.9302159  72503 303792554      792455        s-trans-Propenoic acid
  285861.2748  0.1401 -5.7558 3 1021.9893165  72503 303821963      821864        s-trans-Propenoic acid
  285902.1788  0.0371 -4.9359 3  510.1795105  72503 303522230      522131        s-trans-Propenoic acid
  285902.2285  0.0371 -4.9359 3  510.1795105  72503 303522231      522132        s-trans-Propenoic acid
  285944.4545  0.0902 -5.1991 3  700.9165129  72503 303642341      642242        s-trans-Propenoic acid
  285967.7075  0.0902 -5.1990 3  700.9156129  72503 303642342      642243        s-trans-Propenoic acid
  286057.6565  0.1070 -6.0955 3  815.6893143  72503 303712250      702347        s-trans-Propenoic acid
  286085.7895  0.0019 -3.8850 3  232.0793 71  72503 30335 926      34 925        s-trans-Propenoic acid
  286089.6395  0.0077 -5.9769 3  282.3187 79  72503 303391227      391030        s-trans-Propenoic acid
  286200.9274  0.0838 -6.1630 3  900.4135155  72503 303771760      771761        s-trans-Propenoic acid
  286288.0019  0.0838 -5.5531 3  900.4106155  72503 303771760      771661        s-trans-Propenoic acid
  286296.1107  0.0093 -5.6171 3  572.1924125  72503 303621052      621053        s-trans-Propenoic acid
  286296.1371  0.0093 -5.1076 3  572.1924125  72503 303621052      62 953        s-trans-Propenoic acid
  286296.5046  0.0093 -5.1076 3  572.1924125  72503 303621152      621053        s-trans-Propenoic acid
  286296.5311  0.0093 -5.6171 3  572.1924125  72503 303621152      62 953        s-trans-Propenoic acid
  286303.8382  0.0049 -5.1616 3  348.0283101  72503 30350 347      50 248        s-trans-Propenoic acid
  286303.8382  0.0049 -5.5886 3  348.0283101  72503 30350 347      50 348        s-trans-Propenoic acid
  286303.8382  0.0049 -5.5886 3  348.0283101  72503 30350 447      50 248        s-trans-Propenoic acid
  286303.8382  0.0049 -5.1616 3  348.0283101  72503 30350 447      50 348        s-trans-Propenoic acid
  286309.6767  0.5717 -6.3038 3 1340.4125187  72503 303932767      932668        s-trans-Propenoic acid
  286345.4646  0.0271 -5.8013 3  696.9726137  72503 303681355      681356        s-trans-Propenoic acid
  286347.0131  0.0271 -5.2511 3  696.9726137  72503 303681355      681256        s-trans-Propenoic acid
  286362.3383  0.0271 -5.2511 3  696.9726137  72503 303681455      681356        s-trans-Propenoic acid
  286363.8868  0.0271 -5.8012 3  696.9726137  72503 303681455      681256        s-trans-Propenoic acid
  286374.8557  0.1253 -6.1816 3  862.6199147  72503 303732350      722449        s-trans-Propenoic acid
  286406.9807  0.0783 -5.9347 3  726.2646135  72503 303672048      662145        s-trans-Propenoic acid
  286425.8338  0.0082 -5.5296 3  297.1497 95  72503 30347 146      47 047        s-trans-Propenoic acid
  286425.8338  0.0082 -5.9361 3  297.1497 95  72503 30347 146      47 147        s-trans-Propenoic acid
  286425.8338  0.0082 -5.9361 3  297.1497 95  72503 30347 246      47 047        s-trans-Propenoic acid
  286425.8338  0.0082 -5.5296 3  297.1497 95  72503 30347 246      47 147        s-trans-Propenoic acid
  286428.7936  0.0930 -6.0117 3  770.2348139  72503 303692149      682246        s-trans-Propenoic acid
  286460.7515  0.0016 -3.9844 3  272.8846 75  72503 303371424      361423        s-trans-Propenoic acid
  286479.7866  0.0016 -3.9844 3  272.8852 75  72503 303371423      361422        s-trans-Propenoic acid
  286579.9341  0.4233 -5.9827 3 1164.3192173  72503 303862661      862562        s-trans-Propenoic acid
  286663.1082  0.0218 -5.7697 3  551.3829 77  72503 3033837 1      3737 0        s-trans-Propenoic acid
  286663.1082  0.0218 -5.7697 3  551.3829 77  72503 3033837 2      3737 1        s-trans-Propenoic acid
  286707.5778  0.0054 -4.4494 3  117.7949 31  72503 3031513 2      1412 3        s-trans-Propenoic acid
  286707.5778  0.0054 -4.4494 3  117.7949 31  72503 3031513 3      1412 2        s-trans-Propenoic acid
  286741.7952  0.0135 -5.6707 3  612.5116129  72503 303641153      641154        s-trans-Propenoic acid
  286741.9054  0.0135 -5.1483 3  612.5116129  72503 303641153      641054        s-trans-Propenoic acid
  286743.2673  0.0135 -5.1483 3  612.5116129  72503 303641253      641154        s-trans-Propenoic acid
  286743.3776  0.0135 -5.6707 3  612.5116129  72503 303641253      641054        s-trans-Propenoic acid
  286758.8582  0.0206 -5.4392 3  534.5402 77  72503 3033836 2      3736 1        s-trans-Propenoic acid
  286758.8582  0.0206 -5.4392 3  534.5402 77  72503 3033836 3      3736 2        s-trans-Propenoic acid
  286773.2162  0.0194 -5.7322 3  654.1081133  72503 303661254      661255        s-trans-Propenoic acid
  286773.6435  0.0194 -5.1963 3  654.1081133  72503 303661254      661155        s-trans-Propenoic acid
  286778.3586  0.0194 -5.1963 3  654.1081133  72503 303661354      661255        s-trans-Propenoic acid
  286778.7858  0.0194 -5.7322 3  654.1081133  72503 303661354      661155        s-trans-Propenoic acid
  286846.5092  0.0035 -6.0039 3  100.4776 37  72503 30318 613      17 414        s-trans-Propenoic acid
  286859.5434  0.0193 -5.2346 3  518.1599 77  72503 3033835 3      3735 2        s-trans-Propenoic acid
  286859.5434  0.0193 -5.2346 3  518.1599 77  72503 3033835 4      3735 3        s-trans-Propenoic acid
  286860.9011  0.0354 -4.9190 3  496.8143103  72503 303512229      512130        s-trans-Propenoic acid
  286860.9231  0.0354 -4.9190 3  496.8143103  72503 303512230      512131        s-trans-Propenoic acid
  286862.4701  0.0048 -6.0804 3  192.3349 59  72503 303291217      291020        s-trans-Propenoic acid
  286876.7529  0.0836 -5.5513 3  900.4135155  72503 303771860      771761        s-trans-Propenoic acid
  286882.7310  0.0022 -3.9179 3  247.8212 73  72503 303361125      351124        s-trans-Propenoic acid
  286898.5519  0.1696 -5.4410 3  853.0516145  72503 303722448      722349        s-trans-Propenoic acid
  286963.8275  0.0837 -6.1608 3  900.4106155  72503 303771860      771661        s-trans-Propenoic acid
  286965.8571  0.0181 -5.0822 3  502.2423 77  72503 3033834 4      3734 3        s-trans-Propenoic acid
  286965.8571  0.0181 -5.0822 3  502.2423 77  72503 3033834 5      3734 4        s-trans-Propenoic acid
  286985.2696  0.0750 -5.6640 3  571.8370119  72503 303591742      581841        s-trans-Propenoic acid
  287069.4990  0.0080 -6.2858 3  160.9887 53  72503 303261016      26 719        s-trans-Propenoic acid
  287078.6011  0.0169 -4.9588 3  486.7878 77  72503 3033833 5      3733 4        s-trans-Propenoic acid
  287078.6011  0.0169 -4.9588 3  486.7878 77  72503 3033833 6      3733 5        s-trans-Propenoic acid
  287144.2937  0.0036 -5.6536 3  119.0465 43  72503 30321 714      20 515        s-trans-Propenoic acid
  287198.7071  0.0157 -4.8542 3  471.7967 77  72503 3033832 6      3732 5        s-trans-Propenoic acid
  287198.7071  0.0157 -4.8542 3  471.7967 77  72503 3033832 7      3732 6        s-trans-Propenoic acid
  287232.6693  0.1680 -5.4400 3  853.0388145  72503 303722449      722350        s-trans-Propenoic acid
  287286.5155  0.0047 -5.0439 3  436.4239111  72503 30355 649      55 550        s-trans-Propenoic acid
  287286.5155  0.0047 -5.5040 3  436.4239111  72503 30355 649      55 650        s-trans-Propenoic acid
  287286.5160  0.0047 -5.5040 3  436.4239111  72503 30355 749      55 550        s-trans-Propenoic acid
  287286.5160  0.0047 -5.0439 3  436.4239111  72503 30355 749      55 650        s-trans-Propenoic acid
  287327.2630  0.0146 -4.7629 3  457.2695 77  72503 3033831 7      3731 6        s-trans-Propenoic acid
  287327.2630  0.0146 -4.7629 3  457.2695 77  72503 3033831 8      3731 7        s-trans-Propenoic acid
  287399.8127  0.0022 -4.6756 3  257.8517 77  72503 30338 830      37 929        s-trans-Propenoic acid
  287465.5462  0.0135 -4.6815 3  443.2065 77  72503 3033830 8      3730 7        s-trans-Propenoic acid
  287465.5462  0.0135 -4.6815 3  443.2065 77  72503 3033830 9      3730 8        s-trans-Propenoic acid
  287472.2820  0.0145 -5.0980 3  323.8487 87  72503 303431132      421231        s-trans-Propenoic acid
  287615.0648  0.0125 -4.6080 3  429.6085 77  72503 3033829 9      3729 8        s-trans-Propenoic acid
  287615.0648  0.0125 -4.6080 3  429.6085 77  72503 303382910      3729 9        s-trans-Propenoic acid
  287719.7980  0.1153 -6.0902 3  815.6852143  72503 303712249      702348        s-trans-Propenoic acid
  287753.7701  0.0837 -5.1702 3  684.2975127  72503 303632340      632241        s-trans-Propenoic acid
  287756.6618  0.0340 -4.9032 3  483.7187101  72503 303502228      502129        s-trans-Propenoic acid
  287756.6713  0.0340 -4.9032 3  483.7187101  72503 303502229      502130        s-trans-Propenoic acid
  287765.9788  0.0837 -5.1702 3  684.2970127  72503 303632341      632242        s-trans-Propenoic acid
  287777.6114  0.0114 -4.5409 3  416.4759 77  72503 303382810      3728 9        s-trans-Propenoic acid
  287777.6114  0.0114 -4.5409 3  416.4759 77  72503 303382811      372810        s-trans-Propenoic acid
  287814.7500  0.2906 -6.2138 3 1287.8479185  72503 303922469      922370        s-trans-Propenoic acid
  287867.0706  0.2766 -5.6922 3 1001.8509159  72503 303792555      792456        s-trans-Propenoic acid
  287910.2260  0.0038 -4.4887 3  120.3312 35  72503 3031712 6      1611 5        s-trans-Propenoic acid
  287910.2262  0.0038 -4.4887 3  120.3312 35  72503 3031712 5      1611 6        s-trans-Propenoic acid
  287944.8351  0.0015 -3.9579 3  267.0303 75  72503 303371325      361324        s-trans-Propenoic acid
  287955.3307  0.0105 -4.4793 3  403.8095 77  72503 303382711      372710        s-trans-Propenoic acid
  287955.3307  0.0105 -4.4793 3  403.8095 77  72503 303382712      372711        s-trans-Propenoic acid
  288004.9430  0.0023 -4.6746 3  137.4230 47  72503 30323 915      22 814        s-trans-Propenoic acid
  288005.9356  0.2035 -5.9715 3 1151.1670175  72503 303872266      872167        s-trans-Propenoic acid
  288006.2857  0.0020 -3.8922 3  248.0479 75  72503 30337 829      36 828        s-trans-Propenoic acid
  288089.7773  0.1344 -5.7493 3 1022.0023165  72503 303822063      821964        s-trans-Propenoic acid
  288129.9260  0.0016 -3.9574 3  267.0368 75  72503 303371324      361323        s-trans-Propenoic acid
  288150.8089  0.0095 -4.4222 3  391.6102 77  72503 303382612      372611        s-trans-Propenoic acid
  288150.8089  0.0095 -4.4222 3  391.6102 77  72503 303382613      372612        s-trans-Propenoic acid
  288367.1904  0.0086 -4.3692 3  379.8789 77  72503 303382513      372512        s-trans-Propenoic acid
  288367.1904  0.0086 -4.3692 3  379.8789 77  72503 303382514      372513        s-trans-Propenoic acid
  288427.0502  0.0048 -6.1167 3  184.8283 57  72503 303281217      281018        s-trans-Propenoic acid
  288518.0405  0.0025 -4.8143 3  140.1097 49  72503 30324 816      23 717        s-trans-Propenoic acid
  288593.3953  0.0329 -4.8886 3  470.8919 99  72503 303492227      492128        s-trans-Propenoic acid
  288593.3994  0.0329 -4.8886 3  470.8919 99  72503 303492228      492129        s-trans-Propenoic acid
  288608.3351  0.0077 -4.3198 3  368.6168 77  72503 303382414      372413        s-trans-Propenoic acid
  288608.3351  0.0077 -4.3198 3  368.6168 77  72503 303382415      372414        s-trans-Propenoic acid
  288726.7210  0.0975 -6.0445 3  525.0989113  72503 303561740      561541        s-trans-Propenoic acid
  288781.5567  0.2158 -6.1972 3  683.6723131  72503 303651947      651748        s-trans-Propenoic acid
  288790.9647  0.5677 -6.2528 3 1315.7557185  72503 303922766      922667        s-trans-Propenoic acid
  288830.1254  0.1828 -5.8785 3 1096.5734171  72503 303852065      851966        s-trans-Propenoic acid
  288879.0318  0.0069 -4.2736 3  357.8254 77  72503 303382315      372314        s-trans-Propenoic acid
  288879.0318  0.0069 -4.2736 3  357.8254 77  72503 303382316      372315        s-trans-Propenoic acid
  288958.1494  0.0028 -4.5329 3  124.3987 39  72503 3031911 9      1810 8        s-trans-Propenoic acid
  288958.2762  0.0028 -4.5329 3  124.3987 39  72503 3031911 8      1810 9        s-trans-Propenoic acid
  288989.1440  0.0045 -5.0970 3  380.4170105  72503 30352 448      52 349        s-trans-Propenoic acid
  288989.1440  0.0045 -5.5344 3  380.4170105  72503 30352 448      52 449        s-trans-Propenoic acid
  288989.1440  0.0045 -5.5344 3  380.4170105  72503 30352 548      52 349        s-trans-Propenoic acid
  288989.1440  0.0045 -5.0970 3  380.4170105  72503 30352 548      52 449        s-trans-Propenoic acid
  288991.2111  0.0083 -5.9604 3  257.3906 73  72503 303361324      361125        s-trans-Propenoic acid
  289013.2530  0.0082 -5.7103 3  257.6547 75  72503 303371126      37 829        s-trans-Propenoic acid
  289085.9605  0.0656 -6.0638 3  851.9389151  72503 303751659      751660        s-trans-Propenoic acid
  289115.5714  0.0656 -5.4718 3  851.9379151  72503 303751659      751560        s-trans-Propenoic acid
  289140.8585  0.0050 -5.5174 3  472.1721115  72503 30357 750      57 751        s-trans-Propenoic acid
  289140.8586  0.0050 -5.0462 3  472.1721115  72503 30357 750      57 651        s-trans-Propenoic acid
  289140.8609  0.0050 -5.0462 3  472.1721115  72503 30357 850      57 751        s-trans-Propenoic acid
  289140.8610  0.0050 -5.5174 3  472.1721115  72503 30357 850      57 651        s-trans-Propenoic acid
  289185.2937  0.0061 -4.2304 3  347.5065 77  72503 303382216      372215        s-trans-Propenoic acid
  289185.2937  0.0061 -4.2304 3  347.5065 77  72503 303382217      372216        s-trans-Propenoic acid
  289189.3410  0.0097 -6.2299 3  234.6495 71  72503 303351025      35 828        s-trans-Propenoic acid
  289244.2133  0.0046 -4.8081 3  272.2063 79  72503 30339 930      381029        s-trans-Propenoic acid
  289251.0075  0.0017 -3.9022 3  252.6737 75  72503 303371028      361027        s-trans-Propenoic acid
  289277.8201  0.0047 -6.1145 3  184.8001 57  72503 303281216      281019        s-trans-Propenoic acid
  289337.8507  0.0658 -5.4711 3  851.9389151  72503 303751759      751660        s-trans-Propenoic acid
  289338.9102  0.0424 -5.8423 3  659.4855129  72503 303641847      631944        s-trans-Propenoic acid
  289367.4617  0.0658 -6.0630 3  851.9379151  72503 303751759      751560        s-trans-Propenoic acid
  289374.7207  0.0320 -4.8751 3  458.3330 97  72503 303482226      482127        s-trans-Propenoic acid
  289374.7224  0.0320 -4.8751 3  458.3330 97  72503 303482227      482128        s-trans-Propenoic acid
  289440.8264  0.0777 -5.1425 3  667.9590125  72503 303622339      622240        s-trans-Propenoic acid
  289447.1306  0.0777 -5.1425 3  667.9588125  72503 303622340      622241        s-trans-Propenoic acid
  289480.3900  0.0026 -3.8389 3  277.1135 91  72503 30345 144      44 143        s-trans-Propenoic acid
  289480.3900  0.0026 -4.2484 3  277.1135 91  72503 30345 144      44 243        s-trans-Propenoic acid
  289480.3900  0.0026 -4.2484 3  277.1135 91  72503 30345 244      44 143        s-trans-Propenoic acid
  289480.3900  0.0026 -3.8389 3  277.1135 91  72503 30345 244      44 243        s-trans-Propenoic acid
  289482.1237  0.0030 -3.8265 3  277.6301 93  72503 30346 046      45 045        s-trans-Propenoic acid
  289482.1237  0.0030 -4.2145 3  277.6301 93  72503 30346 046      45 145        s-trans-Propenoic acid
  289482.1237  0.0030 -4.2145 3  277.6301 93  72503 30346 146      45 045        s-trans-Propenoic acid
  289482.1237  0.0030 -3.8265 3  277.6301 93  72503 30346 146      45 145        s-trans-Propenoic acid
  289487.9427  0.0024 -3.8503 3  276.0792 89  72503 30344 242      43 241        s-trans-Propenoic acid
  289487.9427  0.0024 -4.2846 3  276.0792 89  72503 30344 242      43 341        s-trans-Propenoic acid
  289487.9427  0.0024 -4.2846 3  276.0792 89  72503 30344 342      43 241        s-trans-Propenoic acid
  289487.9427  0.0024 -3.8503 3  276.0792 89  72503 30344 342      43 341        s-trans-Propenoic acid
  289498.5453  0.4244 -5.8980 3 1119.3222169  72503 303842658      842559        s-trans-Propenoic acid
  289517.6195  0.0022 -4.3239 3  274.5152 87  72503 30343 340      42 439        s-trans-Propenoic acid
  289517.6196  0.0022 -3.8609 3  274.5152 87  72503 30343 440      42 439        s-trans-Propenoic acid
  289517.6197  0.0022 -3.8609 3  274.5152 87  72503 30343 340      42 339        s-trans-Propenoic acid
  289517.6198  0.0022 -4.3239 3  274.5152 87  72503 30343 440      42 339        s-trans-Propenoic acid
  289534.7788  0.0054 -4.1898 3  337.6623 77  72503 303382117      372116        s-trans-Propenoic acid
  289534.7788  0.0054 -4.1898 3  337.6623 77  72503 303382118      372117        s-trans-Propenoic acid
  289548.5699  0.0023 -4.5888 3  130.0507 43  72503 303211012      20 911        s-trans-Propenoic acid
  289563.2377  0.1572 -5.4041 3  834.2250143  72503 303712447      712348        s-trans-Propenoic acid
  289565.4458  0.0090 -5.9316 3  211.3536 65  72503 303321121      32 824        s-trans-Propenoic acid
  289573.3913  0.0023 -4.5888 3  130.0499 43  72503 303211011      20 912        s-trans-Propenoic acid
  289591.1190  0.0020 -4.3674 3  272.4052 85  72503 30342 438      41 537        s-trans-Propenoic acid
  289591.1264  0.0020 -3.8703 3  272.4052 85  72503 30342 538      41 537        s-trans-Propenoic acid
  289591.1341  0.0020 -3.8703 3  272.4052 85  72503 30342 438      41 437        s-trans-Propenoic acid
  289591.1415  0.0020 -4.3674 3  272.4052 85  72503 30342 538      41 437        s-trans-Propenoic acid
  289595.7970  0.0062 -5.2838 3  327.4678 99  72503 30349 247      49 148        s-trans-Propenoic acid
  289595.7970  0.0062 -5.7001 3  327.4678 99  72503 30349 247      49 248        s-trans-Propenoic acid
  289595.7970  0.0062 -5.7001 3  327.4678 99  72503 30349 347      49 148        s-trans-Propenoic acid
  289595.7970  0.0062 -5.2838 3  327.4678 99  72503 30349 347      49 248        s-trans-Propenoic acid
  289630.5601  0.0023 -4.6710 3  137.3775 47  72503 30323 914      22 815        s-trans-Propenoic acid
  289640.2947  0.0016 -3.9329 3  261.7477 75  72503 303371226      361225        s-trans-Propenoic acid
  289746.7594  0.0019 -4.4170 3  269.7258 83  72503 30341 536      40 635        s-trans-Propenoic acid
  289747.1024  0.0019 -3.8785 3  269.7258 83  72503 30341 636      40 635        s-trans-Propenoic acid
  289747.4346  0.0019 -3.8785 3  269.7258 83  72503 30341 536      40 535        s-trans-Propenoic acid
  289747.7776  0.0019 -4.4170 3  269.7258 83  72503 30341 636      40 535        s-trans-Propenoic acid
  289753.2399  0.1564 -5.4035 3  834.2178143  72503 303712448      712349        s-trans-Propenoic acid
  289771.6995  0.0041 -6.1495 3   97.8344 37  72503 30318 514      17 315        s-trans-Propenoic acid
  289794.8738  0.2680 -5.6528 3  981.1319157  72503 303782553      782454        s-trans-Propenoic acid
  289937.4018  0.0046 -4.1517 3  328.2956 77  72503 303382018      372017        s-trans-Propenoic acid
  289937.4018  0.0046 -4.1517 3  328.2956 77  72503 303382019      372018        s-trans-Propenoic acid
  289993.3994  0.4045 -5.9342 3 1141.5946171  72503 303852660      852561        s-trans-Propenoic acid
  290045.7543  0.0018 -4.4758 3  266.4414 81  72503 30340 634      39 733        s-trans-Propenoic acid
  290056.9077  0.0018 -3.8850 3  266.4414 81  72503 30340 734      39 733        s-trans-Propenoic acid
  290066.6545  0.0018 -3.8850 3  266.4407 81  72503 30340 634      39 633        s-trans-Propenoic acid
  290077.8079  0.0018 -4.4757 3  266.4407 81  72503 30340 734      39 633        s-trans-Propenoic acid
  290103.9800  0.0313 -4.8628 3  446.0413 95  72503 303472225      472126        s-trans-Propenoic acid
  290103.9807  0.0313 -4.8628 3  446.0413 95  72503 303472226      472127        s-trans-Propenoic acid
  290104.3265  0.0418 -5.4024 3  437.7333103  72503 303511437      501536        s-trans-Propenoic acid
  290173.1612  0.0041 -5.7838 3   97.8210 37  72503 30318 514      17 215        s-trans-Propenoic acid
  290181.5844  0.1089 -5.9997 3  770.2249139  72503 303692148      682247        s-trans-Propenoic acid
  290361.8090  0.0018 -4.5515 3  262.4982 79  72503 30339 732      38 831        s-trans-Propenoic acid
  290406.2554  0.0040 -4.1159 3  319.4099 77  72503 303381919      371918        s-trans-Propenoic acid
  290406.2554  0.0040 -4.1159 3  319.4099 77  72503 303381920      371919        s-trans-Propenoic acid
  290485.8600  0.1099 -6.2814 3  970.4599161  72503 303801862      801863        s-trans-Propenoic acid
  290612.7298  0.0018 -3.8893 3  262.4982 79  72503 30339 832      38 831        s-trans-Propenoic acid
  290630.0273  0.1098 -5.6600 3  970.4551161  72503 303801862      801763        s-trans-Propenoic acid
  290656.6725  0.0017 -3.9125 3  257.0192 75  72503 303371127      361126        s-trans-Propenoic acid
  290696.1531  0.0057 -5.5435 3  509.2322119  72503 30359 851      59 852        s-trans-Propenoic acid
  290696.1537  0.0057 -5.0608 3  509.2322119  72503 30359 851      59 752        s-trans-Propenoic acid
  290696.1646  0.0057 -5.0608 3  509.2322119  72503 30359 951      59 852        s-trans-Propenoic acid
  290696.1652  0.0057 -5.5435 3  509.2322119  72503 30359 951      59 752        s-trans-Propenoic acid
  290784.2707  0.0308 -4.8517 3  434.0159 93  72503 303462224      462125        s-trans-Propenoic acid
  290784.2709  0.0308 -4.8517 3  434.0159 93  72503 303462225      462126        s-trans-Propenoic acid
  290803.5326  0.0018 -3.8887 3  262.4835 79  72503 30339 732      38 731        s-trans-Propenoic acid
  290959.0530  0.0033 -4.0822 3  311.0100 77  72503 303381821      371820        s-trans-Propenoic acid
  290959.0537  0.0033 -4.0822 3  311.0100 77  72503 303381820      371819        s-trans-Propenoic acid
  290991.6744  0.0019 -3.9290 3  261.8057 75  72503 303371225      361224        s-trans-Propenoic acid
  291016.2518  0.2593 -5.6492 3  981.0843157  72503 303782554      782455        s-trans-Propenoic acid
  291016.4576  0.0722 -5.1158 3  651.8995123  72503 303612338      612239        s-trans-Propenoic acid
  291019.6586  0.0722 -5.1158 3  651.8994123  72503 303612339      612240        s-trans-Propenoic acid
  291021.9166  0.0055 -5.2898 3  122.6952 45  72503 30322 616      21 517        s-trans-Propenoic acid
  291054.4534  0.0018 -4.5493 3  262.4835 79  72503 30339 832      38 731        s-trans-Propenoic acid
  291059.0284  0.0047 -6.1538 3  177.5555 55  72503 303271216      271017        s-trans-Propenoic acid
  291083.1969  0.0018 -3.8923 3  257.8517 77  72503 30338 930      37 929        s-trans-Propenoic acid
  291100.1051  0.0507 -5.9726 3  804.6921147  72503 303731558      731559        s-trans-Propenoic acid
  291109.6621  0.0508 -5.3971 3  804.6918147  72503 303731558      731459        s-trans-Propenoic acid
  291146.3559  0.2391 -6.0099 3 1173.8408177  72503 303882167      882068        s-trans-Propenoic acid
  291189.1741  0.0509 -5.3968 3  804.6921147  72503 303731658      731559        s-trans-Propenoic acid
  291198.7311  0.0509 -5.9723 3  804.6918147  72503 303731658      731459        s-trans-Propenoic acid
  291223.4383  0.6172 -6.1200 3 1243.7921179  72503 303892762      892663        s-trans-Propenoic acid
  291355.5471  0.0036 -5.7444 3  100.3272 37  72503 30318 613      17 314        s-trans-Propenoic acid
  291395.2352  0.0094 -5.8378 3  234.5759 71  72503 303351025      35 728        s-trans-Propenoic acid
  291418.4726  0.0305 -4.8419 3  422.2562 91  72503 303452223      452124        s-trans-Propenoic acid
  291418.4727  0.0305 -4.8419 3  422.2562 91  72503 303452224      452125        s-trans-Propenoic acid
  291421.4048  0.0046 -5.0639 3  414.1411109  72503 30354 549      54 450        s-trans-Propenoic acid
  291421.4048  0.0046 -5.5118 3  414.1411109  72503 30354 549      54 550        s-trans-Propenoic acid
  291421.4048  0.0046 -5.5118 3  414.1411109  72503 30354 649      54 450        s-trans-Propenoic acid
  291421.4048  0.0046 -5.0639 3  414.1411109  72503 30354 649      54 550        s-trans-Propenoic acid
  291489.8098  0.0046 -6.1527 3  177.5412 55  72503 303271215      271018        s-trans-Propenoic acid
  291546.3929  0.1089 -5.6573 3  970.4599161  72503 303801962      801863        s-trans-Propenoic acid
  291565.4638  0.0036 -6.0518 3   98.5350 35  72503 30317 711      16 512        s-trans-Propenoic acid
  291620.4990  0.0028 -4.0504 3  303.1023 77  72503 303381722      371721        s-trans-Propenoic acid
  291620.5136  0.0028 -4.0504 3  303.1023 77  72503 303381721      371720        s-trans-Propenoic acid
  291690.5602  0.1090 -6.2780 3  970.4551161  72503 303801962      801763        s-trans-Propenoic acid
  291695.4128  0.2505 -6.1037 3 1230.2768181  72503 303902368      902269        s-trans-Propenoic acid
  291713.1257  0.0043 -4.7335 3  229.3457 71  72503 30335 927      34 826        s-trans-Propenoic acid
  291767.7819  0.5565 -6.2014 3 1291.3796183  72503 303912765      912666        s-trans-Propenoic acid
  291934.4757  0.0072 -5.5802 3  547.5963123  72503 30361 952      61 953        s-trans-Propenoic acid
  291934.4787  0.0072 -5.0858 3  547.5963123  72503 30361 952      61 853        s-trans-Propenoic acid
  291934.5267  0.0072 -5.0858 3  547.5963123  72503 303611052      61 953        s-trans-Propenoic acid
  291934.5296  0.0072 -5.5802 3  547.5963123  72503 303611052      61 853        s-trans-Propenoic acid
  292009.2716  0.0303 -4.8333 3  410.7614 89  72503 303442222      442123        s-trans-Propenoic acid
  292009.2717  0.0303 -4.8333 3  410.7614 89  72503 303442223      442124        s-trans-Propenoic acid
  292010.4105  0.1459 -5.3685 3  815.6893141  72503 303702446      702347        s-trans-Propenoic acid
  292090.3669  0.0036 -4.7036 3  238.6121 73  72503 30336 928      35 827        s-trans-Propenoic acid
  292116.7446  0.1455 -5.3682 3  815.6852141  72503 303702447      702348        s-trans-Propenoic acid
  292137.6785  0.1700 -5.8691 3 1096.5940171  72503 303852165      852066        s-trans-Propenoic acid
  292150.9285  0.1010 -6.1158 3  729.5709137  72503 303681851      671948        s-trans-Propenoic acid
  292426.3755  0.0023 -4.0203 3  295.6955 77  72503 303381623      371622        s-trans-Propenoic acid
  292426.6184  0.0023 -4.0203 3  295.6955 77  72503 303381622      371621        s-trans-Propenoic acid
  292439.5336  0.0385 -5.8888 3  758.6847143  72503 303711457      711458        s-trans-Propenoic acid
  292442.4542  0.0385 -5.3286 3  758.6846143  72503 303711457      711358        s-trans-Propenoic acid
  292469.3853  0.0386 -5.3285 3  758.6847143  72503 303711557      711458        s-trans-Propenoic acid
  292472.3059  0.0386 -5.8887 3  758.6846143  72503 303711557      711358        s-trans-Propenoic acid
  292489.8067  0.0672 -5.0902 3  636.1176121  72503 303602337      602238        s-trans-Propenoic acid
  292491.4046  0.0672 -5.0902 3  636.1175121  72503 303602338      602239        s-trans-Propenoic acid
  292491.4282  0.0088 -4.9362 3  297.3590 83  72503 303411031      401130        s-trans-Propenoic acid
  292535.0785  0.0050 -5.1662 3  359.1361103  72503 30351 348      51 249        s-trans-Propenoic acid
  292535.0785  0.0050 -5.5925 3  359.1361103  72503 30351 348      51 349        s-trans-Propenoic acid
  292535.0785  0.0050 -5.5925 3  359.1361103  72503 30351 448      51 249        s-trans-Propenoic acid
  292535.0785  0.0050 -5.1662 3  359.1361103  72503 30351 448      51 349        s-trans-Propenoic acid
  292559.1793  0.0302 -4.8261 3  399.5309 87  72503 303432221      432122        s-trans-Propenoic acid
  292559.1794  0.0302 -4.8261 3  399.5309 87  72503 303432222      432123        s-trans-Propenoic acid
  292592.1126  0.0032 -5.5691 3  124.7079 45  72503 30322 715      21 516        s-trans-Propenoic acid
  292641.6517  0.0084 -5.5321 3  307.2207 97  72503 30348 147      48 048        s-trans-Propenoic acid
  292641.6517  0.0084 -5.9384 3  307.2207 97  72503 30348 147      48 148        s-trans-Propenoic acid
  292641.6517  0.0084 -5.9384 3  307.2207 97  72503 30348 247      48 048        s-trans-Propenoic acid
  292641.6517  0.0084 -5.5321 3  307.2207 97  72503 30348 247      48 148        s-trans-Propenoic acid
  292701.5123  0.3144 -6.1500 3 1253.7845183  72503 303912269      912170        s-trans-Propenoic acid
  292777.4816  0.0049 -4.7606 3  220.2546 69  72503 30334 926      33 825        s-trans-Propenoic acid
  292834.5537  0.0100 -5.6262 3  587.2564127  72503 303631053      631054        s-trans-Propenoic acid
  292834.5674  0.0100 -5.1197 3  587.2564127  72503 303631053      63 954        s-trans-Propenoic acid
  292834.7626  0.0100 -5.1197 3  587.2564127  72503 303631153      631054        s-trans-Propenoic acid
  292834.7763  0.0100 -5.6262 3  587.2564127  72503 303631153      63 954        s-trans-Propenoic acid
  292976.8750  0.0020 -3.8725 3  241.6221 73  72503 30336 927      35 926        s-trans-Propenoic acid
  293015.1506  0.0072 -4.3981 3  120.0395 29  72503 3031414 0      1313 1        s-trans-Propenoic acid
  293015.1506  0.0072 -4.3981 3  120.0395 29  72503 3031414 1      1313 0        s-trans-Propenoic acid
  293070.5508  0.0302 -4.8203 3  388.5640 85  72503 303422220      422121        s-trans-Propenoic acid
  293070.5508  0.0302 -4.8203 3  388.5640 85  72503 303422221      422122        s-trans-Propenoic acid
  293218.9644  0.0285 -5.8122 3  713.9276139  72503 303691356      691357        s-trans-Propenoic acid
  293219.8068  0.0285 -5.2664 3  713.9276139  72503 303691356      691257        s-trans-Propenoic acid
  293228.4288  0.0285 -5.2663 3  713.9276139  72503 303691456      691357        s-trans-Propenoic acid
  293229.2711  0.0285 -5.8122 3  713.9276139  72503 303691456      691257        s-trans-Propenoic acid
  293271.3691  0.0047 -6.1958 3  170.5643 53  72503 303261215      261016        s-trans-Propenoic acid
  293295.7493  0.2474 -5.6095 3  960.6404155  72503 303772552      772453        s-trans-Propenoic acid
  293304.2847  0.0020 -3.8849 3  257.6547 77  72503 30338 830      37 829        s-trans-Propenoic acid
  293370.1777  0.4165 -6.2990 3 1336.3967189  72503 303942371      942272        s-trans-Propenoic acid
  293370.8384  0.0144 -5.6806 3  628.2042131  72503 303651154      651155        s-trans-Propenoic acid
  293370.8963  0.0144 -5.1615 3  628.2042131  72503 303651154      651055        s-trans-Propenoic acid
  293371.6337  0.0144 -5.1615 3  628.2042131  72503 303651254      651155        s-trans-Propenoic acid
  293371.6916  0.0144 -5.6806 3  628.2042131  72503 303651254      651055        s-trans-Propenoic acid
  293430.4200  0.0019 -3.9918 3  288.8019 77  72503 303381524      371523        s-trans-Propenoic acid
  293433.7808  0.0019 -3.9918 3  288.8020 77  72503 303381523      371522        s-trans-Propenoic acid
  293444.6491  0.3840 -5.8865 3 1119.1648169  72503 303842659      842560        s-trans-Propenoic acid
  293481.0911  0.0046 -6.1953 3  170.5574 53  72503 303261214      261017        s-trans-Propenoic acid
  293512.0872  0.0205 -5.7427 3  670.4309135  72503 303671255      671256        s-trans-Propenoic acid
  293512.3156  0.0205 -5.2106 3  670.4309135  72503 303671255      671156        s-trans-Propenoic acid
  293514.9176  0.0205 -5.2106 3  670.4309135  72503 303671355      671256        s-trans-Propenoic acid
  293515.1459  0.0205 -5.7427 3  670.4309135  72503 303671355      671156        s-trans-Propenoic acid
  293545.5992  0.0303 -4.8159 3  377.8600 83  72503 303412219      412120        s-trans-Propenoic acid
  293545.5992  0.0303 -4.8159 3  377.8600 83  72503 303412220      412121        s-trans-Propenoic acid
  293590.0885  0.0050 -5.0518 3  449.1929113  72503 30356 650      56 551        s-trans-Propenoic acid
  293590.0885  0.0050 -5.5104 3  449.1929113  72503 30356 650      56 651        s-trans-Propenoic acid
  293590.0887  0.0050 -5.5104 3  449.1929113  72503 30356 750      56 551        s-trans-Propenoic acid
  293590.0887  0.0050 -5.0518 3  449.1929113  72503 30356 750      56 651        s-trans-Propenoic acid
  293678.9645  0.0097 -6.1722 3  184.4186 61  72503 30330 822      30 525        s-trans-Propenoic acid
  293748.5458  0.0024 -3.8797 3  244.2958 73  72503 303361026      351025        s-trans-Propenoic acid
  293868.7479  0.0626 -5.0657 3  620.6120119  72503 303592336      592237        s-trans-Propenoic acid
  293869.5318  0.0626 -5.0657 3  620.6120119  72503 303592337      592238        s-trans-Propenoic acid
  293910.7578  0.0030 -4.6733 3  248.0479 75  72503 30337 929      36 828        s-trans-Propenoic acid
  293913.0532  0.0025 -4.6778 3  143.4284 49  72503 30324 916      23 815        s-trans-Propenoic acid
  293986.4096  0.0304 -4.8131 3  367.4185 81  72503 303402218      402119        s-trans-Propenoic acid
  293986.4096  0.0304 -4.8131 3  367.4185 81  72503 303402219      402120        s-trans-Propenoic acid
  294008.4104  0.0869 -6.1746 3  920.1238157  72503 303781761      781762        s-trans-Propenoic acid
  294022.1116  0.2426 -5.6073 3  960.6123155  72503 303772553      772454        s-trans-Propenoic acid
  294059.0067  0.0869 -5.5718 3  920.1221157  72503 303781761      781662        s-trans-Propenoic acid
  294165.0206  0.0252 -5.8034 3  578.2466 79  72503 3033938 1      3838 0        s-trans-Propenoic acid
  294165.0206  0.0252 -5.8034 3  578.2466 79  72503 3033938 2      3838 1        s-trans-Propenoic acid
  294254.1795  0.0052 -4.4359 3  121.5853 33  72503 3031613 3      1512 4        s-trans-Propenoic acid
  294254.1795  0.0052 -4.4359 3  121.5853 33  72503 3031613 4      1512 3        s-trans-Propenoic acid
  294262.1800  0.0237 -5.4717 3  560.9449 79  72503 3033937 2      3837 1        s-trans-Propenoic acid
  294262.1800  0.0237 -5.4717 3  560.9449 79  72503 3033937 3      3837 2        s-trans-Propenoic acid
  294271.6900  0.1355 -5.3342 3  797.4417139  72503 303692445      692346        s-trans-Propenoic acid
  294284.1517  0.0913 -5.7357 3  626.4134125  72503 303621844      611943        s-trans-Propenoic acid
  294330.2660  0.1353 -5.3341 3  797.4395139  72503 303692446      692347        s-trans-Propenoic acid
  294364.0715  0.0223 -5.2660 3  544.1054 79  72503 3033936 3      3836 2        s-trans-Propenoic acid
  294364.0715  0.0223 -5.2660 3  544.1054 79  72503 3033936 4      3836 3        s-trans-Propenoic acid
  294394.8842  0.3866 -5.8467 3 1097.1282167  72503 303832657      832558        s-trans-Propenoic acid
  294394.9498  0.0306 -4.8120 3  357.2387 79  72503 303392217      392118        s-trans-Propenoic acid
  294394.9498  0.0306 -4.8120 3  357.2387 79  72503 303392218      392119        s-trans-Propenoic acid
  294415.8514  0.0870 -5.5708 3  920.1238157  72503 303781861      781762        s-trans-Propenoic acid
  294466.4477  0.0871 -6.1734 3  920.1221157  72503 303781861      781662        s-trans-Propenoic acid
  294471.3470  0.0210 -5.1125 3  527.7285 79  72503 3033935 4      3835 3        s-trans-Propenoic acid
  294471.3470  0.0210 -5.1125 3  527.7285 79  72503 3033935 5      3835 4        s-trans-Propenoic acid
  294549.3515  0.1422 -5.7752 3 1043.1978167  72503 303831964      831865        s-trans-Propenoic acid
  294554.3530  0.1070 -5.9082 3  726.2410135  72503 303672047      662146        s-trans-Propenoic acid
  294584.7574  0.0196 -4.9880 3  511.8145 79  72503 3033934 5      3834 4        s-trans-Propenoic acid
  294584.7574  0.0196 -4.9880 3  511.8145 79  72503 3033934 6      3834 5        s-trans-Propenoic acid
  294705.1714  0.0183 -4.8823 3  496.3637 79  72503 3033933 6      3833 5        s-trans-Propenoic acid
  294705.1714  0.0183 -4.8823 3  496.3637 79  72503 3033933 7      3833 6        s-trans-Propenoic acid
  294710.1356  0.0017 -3.9646 3  282.4399 77  72503 303381425      371424        s-trans-Propenoic acid
  294748.1404  0.0017 -3.9645 3  282.4411 77  72503 303381424      371423        s-trans-Propenoic acid
  294773.0809  0.0309 -4.8126 3  347.3201 77  72503 303382216      382117        s-trans-Propenoic acid
  294773.0809  0.0309 -4.8126 3  347.3201 77  72503 303382217      382118        s-trans-Propenoic acid
  294833.5987  0.0171 -4.7898 3  481.3766 79  72503 3033932 7      3832 6        s-trans-Propenoic acid
  294833.5987  0.0171 -4.7898 3  481.3766 79  72503 3033932 8      3832 7        s-trans-Propenoic acid
  294845.5530  0.0398 -5.8783 3  676.4754131  72503 303651848      641945        s-trans-Propenoic acid
  294906.3842  0.0077 -5.9125 3  286.8916 79  72503 303391326      391129        s-trans-Propenoic acid
  294971.2187  0.0158 -4.7073 3  466.8537 79  72503 3033931 8      3831 7        s-trans-Propenoic acid
  294971.2187  0.0158 -4.7073 3  466.8537 79  72503 3033931 9      3831 8        s-trans-Propenoic acid
  295041.6826  0.0054 -4.7816 3  211.3536 67  72503 30333 925      32 824        s-trans-Propenoic acid
  295076.5622  0.5395 -6.1500 3 1267.2907181  72503 303902764      902665        s-trans-Propenoic acid
  295100.3468  0.0625 -5.8758 3  700.8973133  72503 303661948      652045        s-trans-Propenoic acid
  295118.1095  0.0021 -4.6358 3  267.5612 79  72503 30339 831      38 930        s-trans-Propenoic acid
  295119.4167  0.0146 -4.6327 3  452.7953 79  72503 3033930 9      3830 8        s-trans-Propenoic acid
  295119.4167  0.0146 -4.6327 3  452.7953 79  72503 303393010      3830 9        s-trans-Propenoic acid
  295122.5659  0.0312 -4.8152 3  337.6623 75  72503 303372215      372116        s-trans-Propenoic acid
  295122.5659  0.0312 -4.8152 3  337.6623 75  72503 303372216      372117        s-trans-Propenoic acid
  295153.7018  0.0047 -6.2428 3  163.8503 51  72503 303251214      251015        s-trans-Propenoic acid
  295160.1744  0.0585 -5.0423 3  605.3815117  72503 303582335      582236        s-trans-Propenoic acid
  295160.5523  0.0585 -5.0423 3  605.3815117  72503 303582336      582237        s-trans-Propenoic acid
  295176.4094  0.0054 -5.7588 3  102.0960 39  72503 30319 415      18 316        s-trans-Propenoic acid
  295236.1424  0.0046 -5.1030 3  392.1473107  72503 30353 449      53 350        s-trans-Propenoic acid
  295236.1424  0.0046 -5.5395 3  392.1473107  72503 30353 449      53 450        s-trans-Propenoic acid
  295236.1424  0.0046 -5.5395 3  392.1473107  72503 30353 549      53 350        s-trans-Propenoic acid
  295236.1424  0.0046 -5.1030 3  392.1473107  72503 30353 549      53 450        s-trans-Propenoic acid
  295251.7253  0.0047 -6.2426 3  163.8471 51  72503 303251213      251016        s-trans-Propenoic acid
  295279.8297  0.0135 -4.5645 3  439.2023 79  72503 303392910      3829 9        s-trans-Propenoic acid
  295279.8297  0.0135 -4.5645 3  439.2023 79  72503 303392911      382910        s-trans-Propenoic acid
  295318.9507  0.3047 -6.2429 3 1312.0626187  72503 303932470      932371        s-trans-Propenoic acid
  295320.6507  0.0080 -5.9138 3  297.3590 81  72503 303401327      401130        s-trans-Propenoic acid
  295391.3919  0.0054 -6.1348 3  102.0888 39  72503 30319 415      18 216        s-trans-Propenoic acid
  295428.2798  0.0037 -4.4754 3  124.6410 37  72503 3031812 7      1711 6        s-trans-Propenoic acid
  295428.2806  0.0037 -4.4754 3  124.6410 37  72503 3031812 6      1711 7        s-trans-Propenoic acid
  295445.0779  0.0314 -4.8198 3  328.2646 73  72503 303362214      362115        s-trans-Propenoic acid
  295445.0779  0.0314 -4.8198 3  328.2646 73  72503 303362215      362116        s-trans-Propenoic acid
  295454.4039  0.0124 -4.5017 3  426.0751 79  72503 303392811      382810        s-trans-Propenoic acid
  295454.4039  0.0124 -4.5017 3  426.0751 79  72503 303392812      382811        s-trans-Propenoic acid
  295482.9960  0.0055 -5.5249 3  485.5650117  72503 30358 751      58 752        s-trans-Propenoic acid
  295482.9961  0.0055 -5.0554 3  485.5650117  72503 30358 751      58 652        s-trans-Propenoic acid
  295482.9972  0.0055 -5.5249 3  485.5650117  72503 30358 851      58 652        s-trans-Propenoic acid
  295482.9972  0.0055 -5.0554 3  485.5650117  72503 30358 851      58 752        s-trans-Propenoic acid
  295577.4536  0.0565 -5.9857 3  447.4101103  72503 303511636      511437        s-trans-Propenoic acid
  295645.4705  0.0113 -4.4435 3  413.4147 79  72503 303392712      382711        s-trans-Propenoic acid
  295645.4705  0.0113 -4.4435 3  413.4147 79  72503 303392713      382712        s-trans-Propenoic acid
  295699.1252  0.0028 -3.8311 3  286.7695 93  72503 30346 145      45 144        s-trans-Propenoic acid
  295699.1252  0.0028 -4.2399 3  286.7695 93  72503 30346 145      45 244        s-trans-Propenoic acid
  295699.1252  0.0028 -4.2399 3  286.7695 93  72503 30346 245      45 144        s-trans-Propenoic acid
  295699.1252  0.0028 -3.8311 3  286.7695 93  72503 30346 245      45 244        s-trans-Propenoic acid
  295701.0501  0.0032 -3.8190 3  287.2862 95  72503 30347 047      46 046        s-trans-Propenoic acid
  295701.0501  0.0032 -4.2068 3  287.2862 95  72503 30347 047      46 146        s-trans-Propenoic acid
  295701.0501  0.0032 -4.2068 3  287.2862 95  72503 30347 147      46 046        s-trans-Propenoic acid
  295701.0501  0.0032 -3.8190 3  287.2862 95  72503 30347 147      46 146        s-trans-Propenoic acid
  295705.8885  0.0026 -3.8422 3  285.7354 91  72503 30345 243      44 242        s-trans-Propenoic acid
  295705.8885  0.0026 -4.2751 3  285.7354 91  72503 30345 243      44 342        s-trans-Propenoic acid
  295705.8885  0.0026 -4.2751 3  285.7354 91  72503 30345 343      44 242        s-trans-Propenoic acid
  295705.8885  0.0026 -3.8422 3  285.7354 91  72503 30345 343      44 342        s-trans-Propenoic acid
  295733.3599  0.0023 -4.3132 3  284.1725 89  72503 30344 341      43 440        s-trans-Propenoic acid
  295733.3599  0.0023 -3.8525 3  284.1725 89  72503 30344 441      43 440        s-trans-Propenoic acid
  295733.3600  0.0023 -3.8525 3  284.1725 89  72503 30344 341      43 340        s-trans-Propenoic acid
  295733.3600  0.0023 -4.3132 3  284.1725 89  72503 30344 441      43 340        s-trans-Propenoic acid
  295742.2064  0.0318 -4.8268 3  319.1267 71  72503 303352213      352114        s-trans-Propenoic acid
  295742.2064  0.0318 -4.8268 3  319.1267 71  72503 303352214      352115        s-trans-Propenoic acid
  295801.5723  0.0021 -4.3552 3  282.0650 87  72503 30343 439      42 538        s-trans-Propenoic acid
  295801.5759  0.0021 -3.8617 3  282.0650 87  72503 30343 539      42 538        s-trans-Propenoic acid
  295801.5797  0.0021 -3.8617 3  282.0650 87  72503 30343 439      42 438        s-trans-Propenoic acid
  295801.5833  0.0021 -4.3552 3  282.0650 87  72503 30343 539      42 438        s-trans-Propenoic acid
  295815.9763  0.0064 -5.2877 3  338.1609101  72503 30350 248      50 149        s-trans-Propenoic acid
  295815.9763  0.0064 -5.7036 3  338.1609101  72503 30350 248      50 249        s-trans-Propenoic acid
  295815.9763  0.0064 -5.7036 3  338.1609101  72503 30350 348      50 149        s-trans-Propenoic acid
  295815.9763  0.0064 -5.2877 3  338.1609101  72503 30350 348      50 249        s-trans-Propenoic acid
  295855.8425  0.0103 -4.3894 3  401.2218 79  72503 303392613      382612        s-trans-Propenoic acid
  295855.8425  0.0103 -4.3894 3  401.2218 79  72503 303392614      382613        s-trans-Propenoic acid
  295871.7096  0.0074 -5.9165 3  276.6742 77  72503 303381325      381128        s-trans-Propenoic acid
  295945.4394  0.0020 -4.4027 3  279.3907 85  72503 30342 537      41 636        s-trans-Propenoic acid
  295945.6128  0.0020 -3.8696 3  279.3907 85  72503 30342 637      41 636        s-trans-Propenoic acid
  295945.7825  0.0020 -3.8696 3  279.3907 85  72503 30342 537      41 536        s-trans-Propenoic acid
  295945.9558  0.0020 -4.4027 3  279.3907 85  72503 30342 637      41 536        s-trans-Propenoic acid
  295951.2065  0.1396 -5.7712 3 1043.2056167  72503 303832064      831965        s-trans-Propenoic acid
  295975.2319  0.2122 -5.9963 3 1173.8728177  72503 303882267      882168        s-trans-Propenoic acid
  296015.4638  0.0321 -4.8363 3  310.2479 69  72503 303342212      342113        s-trans-Propenoic acid
  296015.4638  0.0321 -4.8363 3  310.2479 69  72503 303342213      342114        s-trans-Propenoic acid
  296071.1636  0.0048 -5.6552 3  122.5268 45  72503 30322 616      21 417        s-trans-Propenoic acid
  296072.8434  0.0091 -6.0109 3  292.6528 81  72503 303401228      401031        s-trans-Propenoic acid
  296088.9445  0.0093 -4.3388 3  389.4978 79  72503 303392514      382513        s-trans-Propenoic acid
  296088.9445  0.0093 -4.3388 3  389.4978 79  72503 303392515      382514        s-trans-Propenoic acid
  296216.5415  0.0564 -5.4746 3  484.8592109  72503 303541539      531638        s-trans-Propenoic acid
  296224.0282  0.0019 -4.4586 3  276.1167 83  72503 30341 635      40 734        s-trans-Propenoic acid
  296229.9320  0.0019 -3.8759 3  276.1167 83  72503 30341 735      40 734        s-trans-Propenoic acid
  296235.1816  0.0019 -3.8759 3  276.1163 83  72503 30341 635      40 634        s-trans-Propenoic acid
  296241.0854  0.0019 -4.4586 3  276.1163 83  72503 30341 735      40 634        s-trans-Propenoic acid
  296261.6423  0.0074 -5.9666 3  247.8212 71  72503 303351323      351124        s-trans-Propenoic acid
  296266.2910  0.0324 -4.8488 3  301.6278 67  72503 303332211      332112        s-trans-Propenoic acid
  296266.2910  0.0324 -4.8488 3  301.6278 67  72503 303332212      332113        s-trans-Propenoic acid
  296320.1010  0.0018 -3.8889 3  262.3221 77  72503 303381029      371028        s-trans-Propenoic acid
  296323.6991  0.0016 -3.9385 3  276.6351 77  72503 303381326      371325        s-trans-Propenoic acid
  296348.9861  0.0084 -4.2915 3  378.2438 79  72503 303392415      382414        s-trans-Propenoic acid
  296348.9861  0.0084 -4.2915 3  378.2438 79  72503 303392416      382415        s-trans-Propenoic acid
  296370.1985  0.0548 -5.0199 3  590.4249115  72503 303572334      572235        s-trans-Propenoic acid
  296370.3774  0.0548 -5.0199 3  590.4249115  72503 303572335      572236        s-trans-Propenoic acid
  296370.7746  0.1260 -5.3011 3  779.4799137  72503 303682444      682345        s-trans-Propenoic acid
  296398.8319  0.0027 -4.5212 3  129.2390 41  72503 303201110      1910 9        s-trans-Propenoic acid
  296399.2360  0.0027 -4.5212 3  129.2390 41  72503 3032011 9      191010        s-trans-Propenoic acid
  296402.5389  0.1259 -5.3011 3  779.4788137  72503 303682445      682346        s-trans-Propenoic acid
  296444.5042  0.2294 -5.5679 3  940.4500153  72503 303762551      762452        s-trans-Propenoic acid
  296496.0614  0.0327 -4.8646 3  293.2660 65  72503 303322210      322111        s-trans-Propenoic acid
  296496.0614  0.0327 -4.8646 3  293.2660 65  72503 303322211      322112        s-trans-Propenoic acid
  296517.6449  0.0684 -6.0762 3  871.0067153  72503 303761660      761661        s-trans-Propenoic acid
  296534.5364  0.0684 -5.4903 3  871.0062153  72503 303761660      761561        s-trans-Propenoic acid
  296541.8417  0.0148 -5.9341 3  313.5381 83  72503 303411428      411229        s-trans-Propenoic acid
  296603.8459  0.1489 -6.2756 3  930.5401153  72503 303762453      752550        s-trans-Propenoic acid
  296612.3971  0.0019 -4.5289 3  272.1920 81  72503 30340 733      39 832        s-trans-Propenoic acid
  296641.1990  0.0074 -4.2471 3  367.4614 79  72503 303392316      382315        s-trans-Propenoic acid
  296641.1990  0.0074 -4.2471 3  367.4614 79  72503 303392317      382316        s-trans-Propenoic acid
  296663.0905  0.0017 -3.9376 3  276.6478 77  72503 303381325      371324        s-trans-Propenoic acid
  296666.3512  0.0686 -5.4899 3  871.0067153  72503 303761760      761661        s-trans-Propenoic acid
  296683.2427  0.0686 -6.0758 3  871.0062153  72503 303761760      761561        s-trans-Propenoic acid
  296706.0859  0.0331 -4.8844 3  285.1620 63  72503 3033122 9      312110        s-trans-Propenoic acid
  296706.0859  0.0331 -4.8844 3  285.1620 63  72503 303312210      312111        s-trans-Propenoic acid
  296753.2128  0.0019 -3.8801 3  272.1920 81  72503 30340 833      39 832        s-trans-Propenoic acid
  296768.1905  0.0048 -6.2952 3  157.4103 49  72503 303241213      241014        s-trans-Propenoic acid
  296776.0438  0.0023 -4.5808 3  135.4420 45  72503 303221013      21 912        s-trans-Propenoic acid
  296812.0822  0.0048 -6.2951 3  157.4088 49  72503 303241212      241015        s-trans-Propenoic acid
  296836.4253  0.0023 -4.5807 3  135.4403 45  72503 303221012      21 913        s-trans-Propenoic acid
  296851.6746  0.3627 -5.8396 3 1097.0312167  72503 303832658      832559        s-trans-Propenoic acid
  296863.3179  0.0019 -3.8797 3  272.1836 81  72503 30340 733      39 732        s-trans-Propenoic acid
  296869.4790  0.2268 -5.5667 3  940.4337153  72503 303762552      762453        s-trans-Propenoic acid
  296897.6162  0.0334 -4.9087 3  277.3155 61  72503 3033022 8      3021 9        s-trans-Propenoic acid
  296897.6162  0.0334 -4.9087 3  277.3155 61  72503 3033022 9      302110        s-trans-Propenoic acid
  296907.1784  0.0656 -6.0117 3  711.5055135  72503 303671850      661947        s-trans-Propenoic acid
  296931.9193  0.0026 -3.8935 3  257.3906 75  72503 303371126      361125        s-trans-Propenoic acid
  296972.1671  0.0066 -4.2054 3  357.1527 79  72503 303392217      382216        s-trans-Propenoic acid
  296972.1671  0.0066 -4.2054 3  357.1527 79  72503 303392218      382217        s-trans-Propenoic acid
  296987.6689  0.0025 -4.6443 3  257.6547 77  72503 30338 930      37 829        s-trans-Propenoic acid
  297004.1336  0.0019 -4.5277 3  272.1836 81  72503 30340 833      39 732        s-trans-Propenoic acid
  297052.4663  0.0023 -4.6712 3  143.3418 49  72503 30324 915      23 816        s-trans-Propenoic acid
  297053.3839  0.1327 -6.1825 3  881.6446149  72503 303742352      732449        s-trans-Propenoic acid
  297071.8482  0.0338 -4.9387 3  269.7260 59  72503 3032922 7      2921 8        s-trans-Propenoic acid
  297071.8482  0.0338 -4.9387 3  269.7260 59  72503 3032922 8      2921 9        s-trans-Propenoic acid
  297085.9289  0.0063 -5.5519 3  523.2497121  72503 30360 852      60 853        s-trans-Propenoic acid
  297085.9291  0.0063 -5.0714 3  523.2497121  72503 30360 852      60 753        s-trans-Propenoic acid
  297085.9347  0.0063 -5.0714 3  523.2497121  72503 30360 952      60 853        s-trans-Propenoic acid
  297085.9350  0.0063 -5.5519 3  523.2497121  72503 30360 952      60 753        s-trans-Propenoic acid
  297101.4047  0.3002 -6.2905 3  762.0759139  72503 303692050      691851        s-trans-Propenoic acid
  297127.1344  0.1526 -6.2740 3  930.5389153  72503 303762452      752551        s-trans-Propenoic acid
  297229.9250  0.0341 -4.9758 3  262.3931 57  72503 3032822 6      2821 7        s-trans-Propenoic acid
  297229.9250  0.0341 -4.9758 3  262.3931 57  72503 3032822 7      2821 8        s-trans-Propenoic acid
  297350.2982  0.0057 -4.1662 3  347.3201 79  72503 303392118      382117        s-trans-Propenoic acid
  297350.2982  0.0057 -4.1662 3  347.3201 79  72503 303392119      382118        s-trans-Propenoic acid
  297364.7094  0.0019 -3.8824 3  267.5612 79  72503 30339 931      38 930        s-trans-Propenoic acid
  297372.9392  0.0345 -5.0219 3  255.3165 55  72503 3032722 5      2721 6        s-trans-Propenoic acid
  297372.9392  0.0345 -5.0219 3  255.3165 55  72503 3032722 6      2721 7        s-trans-Propenoic acid
  297388.2829  0.0823 -5.9355 3  743.8394137  72503 303682049      672146        s-trans-Propenoic acid
  297424.2707  0.5554 -6.0619 3 1220.1808177  72503 303882761      882662        s-trans-Propenoic acid
  297501.9354  0.0348 -5.0805 3  248.4957 53  72503 3032622 4      2621 5        s-trans-Propenoic acid
  297501.9354  0.0348 -5.0805 3  248.4957 53  72503 3032622 5      2621 6        s-trans-Propenoic acid
  297504.2946  0.0515 -4.9985 3  575.7412113  72503 303562333      562234        s-trans-Propenoic acid
  297504.3778  0.0515 -4.9985 3  575.7412113  72503 303562334      562235        s-trans-Propenoic acid
  297565.6443  0.1167 -6.0934 3  834.2250145  72503 303722251      712348        s-trans-Propenoic acid
  297604.1402  0.0449 -5.9334 3  693.8106133  72503 303661849      651946        s-trans-Propenoic acid
  297611.9525  0.0084 -5.9219 3  308.0683 83  72503 303411328      411131        s-trans-Propenoic acid
  297617.9122  0.0351 -5.1569 3  241.9305 51  72503 3032522 3      2521 4        s-trans-Propenoic acid
  297617.9122  0.0351 -5.1569 3  241.9305 51  72503 3032522 4      2521 5        s-trans-Propenoic acid
  297690.3568  0.0049 -5.0713 3  426.4940111  72503 30355 550      55 451        s-trans-Propenoic acid
  297690.3568  0.0049 -5.5180 3  426.4940111  72503 30355 550      55 551        s-trans-Propenoic acid
  297690.3568  0.0049 -5.5180 3  426.4940111  72503 30355 650      55 451        s-trans-Propenoic acid
  297690.3568  0.0049 -5.0713 3  426.4940111  72503 30355 650      55 551        s-trans-Propenoic acid
  297721.8237  0.0355 -5.2613 3  235.6205 49  72503 3032422 2      2421 3        s-trans-Propenoic acid
  297721.8237  0.0355 -5.2613 3  235.6205 49  72503 3032422 3      2421 4        s-trans-Propenoic acid
  297786.5166  0.0050 -4.1293 3  337.9668 79  72503 303392019      382018        s-trans-Propenoic acid
  297786.5166  0.0050 -4.1293 3  337.9668 79  72503 303392020      382019        s-trans-Propenoic acid
  297792.7442  0.0071 -5.9247 3  266.7145 75  72503 303371324      371127        s-trans-Propenoic acid
  297814.5813  0.0358 -5.4170 3  229.5654 47  72503 3032322 1      2321 2        s-trans-Propenoic acid
  297814.5813  0.0358 -5.4170 3  229.5654 47  72503 3032322 2      2321 3        s-trans-Propenoic acid
  297866.5301  0.1002 -6.0101 3  788.2869141  72503 303702150      692247        s-trans-Propenoic acid
  297897.0547  0.0361 -5.6975 3  223.7649 45  72503 3032222 0      2221 1        s-trans-Propenoic acid
  297897.0547  0.0361 -5.6975 3  223.7649 45  72503 3032222 1      2221 2        s-trans-Propenoic acid
  297956.9103  0.0221 -5.1678 3  363.5455 93  72503 303461234      451333        s-trans-Propenoic acid
  297992.4645  0.1831 -5.8987 3 1118.6326173  72503 303862066      861967        s-trans-Propenoic acid
  298014.4370  0.0018 -3.9144 3  271.4091 77  72503 303381227      371226        s-trans-Propenoic acid
  298060.9917  0.0056 -4.7935 3  202.6649 65  72503 30332 924      31 823        s-trans-Propenoic acid
  298272.1423  0.0531 -5.9853 3  823.1208149  72503 303741559      741560        s-trans-Propenoic acid
  298277.4971  0.0531 -5.4150 3  823.1207149  72503 303741559      741460        s-trans-Propenoic acid
  298281.8367  0.1403 -6.1787 3  881.6417149  72503 303742351      732450        s-trans-Propenoic acid
  298295.3153  0.0042 -4.0945 3  329.0968 79  72503 303391921      381920        s-trans-Propenoic acid
  298295.3154  0.0042 -4.0945 3  329.0968 79  72503 303391920      381919        s-trans-Propenoic acid
  298323.6888  0.0532 -5.4149 3  823.1208149  72503 303741659      741560        s-trans-Propenoic acid
  298325.9092  0.1172 -5.2692 3  761.8020135  72503 303672443      672344        s-trans-Propenoic acid
  298329.0437  0.0532 -5.9851 3  823.1207149  72503 303741659      741460        s-trans-Propenoic acid
  298342.8657  0.1171 -5.2692 3  761.8014135  72503 303672444      672345        s-trans-Propenoic acid
  298382.2637  0.0079 -5.5896 3  562.2395125  72503 30362 953      62 954        s-trans-Propenoic acid
  298382.2652  0.0079 -5.0976 3  562.2395125  72503 30362 953      62 854        s-trans-Propenoic acid
  298382.2901  0.0079 -5.0976 3  562.2395125  72503 303621053      62 954        s-trans-Propenoic acid
  298382.2916  0.0079 -5.5896 3  562.2395125  72503 303621053      62 854        s-trans-Propenoic acid
  298390.9728  0.8001 -6.2994 3 1350.3157187  72503 303932865      932766        s-trans-Propenoic acid
  298508.8534  0.1469 -6.1065 3  593.1830121  72503 303601843      601644        s-trans-Propenoic acid
  298567.4050  0.0486 -4.9782 3  561.3295111  72503 303552332      552233        s-trans-Propenoic acid
  298567.4429  0.0486 -4.9782 3  561.3295111  72503 303552333      552234        s-trans-Propenoic acid
  298573.1240  0.5182 -6.0989 3 1243.4936179  72503 303892763      892664        s-trans-Propenoic acid
  298576.2111  0.1133 -6.2939 3  991.0145163  72503 303811863      811864        s-trans-Propenoic acid
  298584.1252  0.0018 -3.8961 3  266.7145 77  72503 303381128      371127        s-trans-Propenoic acid
  298615.5435  0.0296 -5.9460 3  376.8779 93  72503 303461532      461333        s-trans-Propenoic acid
  298655.2207  0.3552 -5.7982 3 1075.2529165  72503 303822656      822557        s-trans-Propenoic acid
  298660.9263  0.1133 -5.6801 3  991.0117163  72503 303811863      811764        s-trans-Propenoic acid
  298764.6583  0.0051 -5.1716 3  370.4513105  72503 30352 349      52 250        s-trans-Propenoic acid
  298764.6583  0.0051 -5.5972 3  370.4513105  72503 30352 349      52 350        s-trans-Propenoic acid
  298764.6583  0.0051 -5.5972 3  370.4513105  72503 30352 449      52 250        s-trans-Propenoic acid
  298764.6583  0.0051 -5.1716 3  370.4513105  72503 30352 449      52 350        s-trans-Propenoic acid
  298801.4936  0.0020 -3.8778 3  267.4383 79  72503 30339 831      38 830        s-trans-Propenoic acid
  298856.8811  0.0087 -5.5355 3  317.4990 99  72503 30349 148      49 049        s-trans-Propenoic acid
  298856.8811  0.0087 -5.9415 3  317.4990 99  72503 30349 148      49 149        s-trans-Propenoic acid
  298856.8811  0.0087 -5.9415 3  317.4990 99  72503 30349 248      49 049        s-trans-Propenoic acid
  298856.8811  0.0087 -5.5355 3  317.4990 99  72503 30349 248      49 149        s-trans-Propenoic acid
  298896.4228  0.0035 -4.0617 3  320.7154 79  72503 303391822      381821        s-trans-Propenoic acid
  298896.4247  0.0035 -4.0617 3  320.7154 79  72503 303391821      381820        s-trans-Propenoic acid
  299031.5684  0.0027 -4.6861 3  149.7336 51  72503 30325 917      24 816        s-trans-Propenoic acid
  299066.2030  0.0021 -3.8643 3  251.3948 75  72503 30337 928      36 927        s-trans-Propenoic acid
  299175.4475  0.0104 -6.1322 3  267.5612 77  72503 303381127      38 930        s-trans-Propenoic acid
  299223.3827  0.1132 -5.6786 3  991.0145163  72503 303811963      811864        s-trans-Propenoic acid
  299308.0979  0.1132 -6.2919 3  991.0117163  72503 303811963      811764        s-trans-Propenoic acid
  299308.8167  0.2132 -5.5280 3  920.5562151  72503 303752550      752451        s-trans-Propenoic acid
  299352.3916  0.0108 -5.6365 3  602.5263129  72503 303641054      641055        s-trans-Propenoic acid
  299352.3986  0.0108 -5.1327 3  602.5263129  72503 303641054      64 955        s-trans-Propenoic acid
  299352.5018  0.0108 -5.1327 3  602.5263129  72503 303641154      641055        s-trans-Propenoic acid
  299352.5088  0.0108 -5.6365 3  602.5263129  72503 303641154      64 955        s-trans-Propenoic acid
  299418.1608  0.0404 -5.9014 3  776.4773145  72503 303721458      721459        s-trans-Propenoic acid
  299419.7687  0.0404 -5.3457 3  776.4773145  72503 303721458      721359        s-trans-Propenoic acid
  299435.1087  0.0405 -5.3457 3  776.4773145  72503 303721558      721459        s-trans-Propenoic acid
  299436.7165  0.0405 -5.9013 3  776.4773145  72503 303721558      721359        s-trans-Propenoic acid
  299553.5550  0.2118 -5.5273 3  920.5469151  72503 303752551      752452        s-trans-Propenoic acid
  299564.0205  0.0461 -4.9589 3  547.1886109  72503 303542331      542232        s-trans-Propenoic acid
  299564.0374  0.0461 -4.9589 3  547.1886109  72503 303542332      542233        s-trans-Propenoic acid
  299617.5793  0.0029 -4.0307 3  312.8297 79  72503 303391723      381722        s-trans-Propenoic acid
  299617.6147  0.0029 -4.0307 3  312.8297 79  72503 303391722      381721        s-trans-Propenoic acid
  299636.7292  0.2616 -6.1307 3 1253.8335183  72503 303912369      912270        s-trans-Propenoic acid
  299729.1149  0.0049 -6.0322 3   94.8487 37  72503 30318 315      17 216        s-trans-Propenoic acid
  299757.8259  0.0091 -5.7034 3  271.5281 77  72503 303381226      38 929        s-trans-Propenoic acid
  299887.8004  0.0055 -5.0606 3  462.1689115  72503 30357 651      57 552        s-trans-Propenoic acid
  299887.8004  0.0055 -5.5177 3  462.1689115  72503 30357 651      57 652        s-trans-Propenoic acid
  299887.8005  0.0055 -5.5177 3  462.1689115  72503 30357 751      57 552        s-trans-Propenoic acid
  299887.8005  0.0055 -5.0606 3  462.1689115  72503 30357 751      57 652        s-trans-Propenoic acid
  299890.7199  0.0035 -5.9778 3  102.8967 37  72503 30318 712      17 513        s-trans-Propenoic acid
  299972.9489  0.0154 -5.6916 3  644.1021133  72503 303661155      661156        s-trans-Propenoic acid
  299972.9792  0.0154 -5.1757 3  644.1021133  72503 303661155      661056        s-trans-Propenoic acid
  299973.3762  0.0154 -5.1757 3  644.1021133  72503 303661255      661156        s-trans-Propenoic acid
  299973.4064  0.0154 -5.6916 3  644.1021133  72503 303661255      661056        s-trans-Propenoic acid
  300010.0292  0.0086 -5.6693 3  281.8544 79  72503 303391227      39 930        s-trans-Propenoic acid
  300045.6983  0.0300 -5.8244 3  731.0866141  72503 303701357      701358        s-trans-Propenoic acid
  300046.1540  0.0300 -5.2826 3  731.0866141  72503 303701357      701258        s-trans-Propenoic acid
  300050.9722  0.0300 -5.2826 3  731.0866141  72503 303701457      701358        s-trans-Propenoic acid
  300051.4279  0.0300 -5.8244 3  731.0866141  72503 303701457      701258        s-trans-Propenoic acid
  300072.2319  0.0093 -6.0314 3  202.6649 63  72503 303311120      31 823        s-trans-Propenoic acid
  300101.9638  0.1765 -5.8928 3 1118.6451173  72503 303862166      862067        s-trans-Propenoic acid
  300151.5521  0.1090 -5.2384 3  744.4062133  72503 303662442      662343        s-trans-Propenoic acid
  300157.5296  0.3414 -5.7939 3 1075.1940165  72503 303822657      822558        s-trans-Propenoic acid
  300160.4625  0.1090 -5.2384 3  744.4059133  72503 303662443      662344        s-trans-Propenoic acid
  300215.6924  0.0217 -5.7544 3  686.9585137  72503 303681256      681257        s-trans-Propenoic acid
  300215.8138  0.0217 -5.2258 3  686.9585137  72503 303681256      681157        s-trans-Propenoic acid
  300217.2409  0.0218 -5.2258 3  686.9585137  72503 303681356      681257        s-trans-Propenoic acid
  300217.3623  0.0218 -5.7544 3  686.9585137  72503 303681356      681157        s-trans-Propenoic acid
  300234.6194  0.0022 -3.9081 3  271.5122 77  72503 303381226      371225        s-trans-Propenoic acid
  300296.1733  0.0030 -4.8378 3  146.3329 51  72503 30325 817      24 718        s-trans-Propenoic acid
  300319.4907  0.0068 -5.9363 3  257.0192 73  72503 303361323      361126        s-trans-Propenoic acid
  300367.1699  0.1317 -6.0848 3  834.2178145  72503 303722250      712349        s-trans-Propenoic acid
  300401.1250  0.0037 -5.9628 3  104.9380 39  72503 30319 614      18 415        s-trans-Propenoic acid
  300498.2437  0.0439 -4.9407 3  533.3178107  72503 303532330      532231        s-trans-Propenoic acid
  300498.2511  0.0439 -4.9407 3  533.3178107  72503 303532331      532232        s-trans-Propenoic acid
  300499.3509  0.0024 -4.0013 3  305.4498 79  72503 303391624      381623        s-trans-Propenoic acid
  300499.8982  0.0024 -4.0013 3  305.4498 79  72503 303391623      381622        s-trans-Propenoic acid
  300567.4309  0.0070 -4.3858 3  123.5716 31  72503 3031514 1      1413 2        s-trans-Propenoic acid
  300567.4309  0.0070 -4.3858 3  123.5716 31  72503 3031514 2      1413 1        s-trans-Propenoic acid
  300579.6469  0.0047 -5.0656 3  137.0858 49  72503 30324 717      23 618        s-trans-Propenoic acid
  300610.2609  0.0039 -4.7415 3  282.3187 81  72503 30340 931      391030        s-trans-Propenoic acid
  300890.8973  0.2353 -6.0305 3 1196.7533179  72503 303892168      892069        s-trans-Propenoic acid
  301048.0936  0.0022 -4.6171 3  267.4383 79  72503 30339 931      38 830        s-trans-Propenoic acid
  301149.7905  0.0030 -5.5107 3  130.5851 47  72503 30323 716      22 517        s-trans-Propenoic acid
  301280.8310  0.0055 -4.7946 3  194.2147 63  72503 30331 923      30 822        s-trans-Propenoic acid
  301373.8400  0.0420 -4.9236 3  519.7162105  72503 303522329      522230        s-trans-Propenoic acid
  301373.8432  0.0420 -4.9236 3  519.7162105  72503 303522330      522231        s-trans-Propenoic acid
  301480.5384  0.0048 -5.1099 3  404.0848109  72503 30354 450      54 351        s-trans-Propenoic acid
  301480.5384  0.0048 -5.5454 3  404.0848109  72503 30354 450      54 451        s-trans-Propenoic acid
  301480.5384  0.0048 -5.5454 3  404.0848109  72503 30354 550      54 351        s-trans-Propenoic acid
  301480.5384  0.0048 -5.1099 3  404.0848109  72503 30354 550      54 451        s-trans-Propenoic acid
  301602.7214  0.0020 -3.9733 3  298.5897 79  72503 303391525      381524        s-trans-Propenoic acid
  301609.7668  0.0020 -3.9733 3  298.5899 79  72503 303391524      381523        s-trans-Propenoic acid
  301635.3550  0.0903 -6.1883 3  940.0338159  72503 303791762      791763        s-trans-Propenoic acid
  301663.7753  0.0292 -5.8391 3  605.8195 81  72503 3034039 1      3939 0        s-trans-Propenoic acid
  301663.7753  0.0292 -5.8391 3  605.8195 81  72503 3034039 2      3939 1        s-trans-Propenoic acid
  301664.5433  0.0904 -5.5920 3  940.0328159  72503 303791762      791663        s-trans-Propenoic acid
  301762.3994  0.0275 -5.5063 3  588.0589 81  72503 3034038 2      3938 1        s-trans-Propenoic acid
  301762.3994  0.0275 -5.5063 3  588.0589 81  72503 3034038 3      3938 2        s-trans-Propenoic acid
  301794.9368  0.0050 -4.4230 3  125.6318 35  72503 3031713 4      1612 5        s-trans-Propenoic acid
  301794.9368  0.0050 -4.4230 3  125.6318 35  72503 3031713 5      1612 4        s-trans-Propenoic acid
  301817.0261  0.0061 -5.0655 3  499.1647119  72503 30359 752      59 653        s-trans-Propenoic acid
  301817.0261  0.0061 -5.5332 3  499.1647119  72503 30359 752      59 753        s-trans-Propenoic acid
  301817.0266  0.0061 -5.0655 3  499.1647119  72503 30359 852      59 753        s-trans-Propenoic acid
  301817.0267  0.0061 -5.5332 3  499.1647119  72503 30359 852      59 653        s-trans-Propenoic acid
  301859.4894  0.1015 -5.2087 3  727.2909131  72503 303652441      652342        s-trans-Propenoic acid
  301864.0979  0.1015 -5.2087 3  727.2907131  72503 303652442      652343        s-trans-Propenoic acid
  301865.5636  0.0259 -5.2995 3  570.7605 81  72503 3034037 3      3937 2        s-trans-Propenoic acid
  301865.5636  0.0259 -5.2995 3  570.7605 81  72503 3034037 4      3937 3        s-trans-Propenoic acid
  301878.7519  0.0906 -5.5914 3  940.0338159  72503 303791862      791763        s-trans-Propenoic acid
  301907.9401  0.0907 -6.1876 3  940.0328159  72503 303791862      791663        s-trans-Propenoic acid
  301917.4584  0.0031 -3.8243 3  296.6330 95  72503 30347 146      46 145        s-trans-Propenoic acid
  301917.4584  0.0031 -4.2324 3  296.6330 95  72503 30347 146      46 245        s-trans-Propenoic acid
  301917.4584  0.0031 -4.2324 3  296.6330 95  72503 30347 246      46 145        s-trans-Propenoic acid
  301917.4584  0.0031 -3.8243 3  296.6330 95  72503 30347 246      46 245        s-trans-Propenoic acid
  301919.5615  0.0035 -3.8125 3  297.1497 97  72503 30348 048      47 047        s-trans-Propenoic acid
  301919.5615  0.0035 -4.2001 3  297.1497 97  72503 30348 048      47 147        s-trans-Propenoic acid
  301919.5615  0.0035 -4.2001 3  297.1497 97  72503 30348 148      47 047        s-trans-Propenoic acid
  301919.5615  0.0035 -3.8125 3  297.1497 97  72503 30348 148      47 147        s-trans-Propenoic acid
  301923.4880  0.0028 -3.8352 3  295.5991 93  72503 30346 244      45 243        s-trans-Propenoic acid
  301923.4880  0.0028 -4.2667 3  295.5991 93  72503 30346 244      45 343        s-trans-Propenoic acid
  301923.4880  0.0028 -4.2667 3  295.5991 93  72503 30346 344      45 243        s-trans-Propenoic acid
  301923.4880  0.0028 -3.8352 3  295.5991 93  72503 30346 344      45 343        s-trans-Propenoic acid
  301937.5683  0.1985 -5.4895 3  900.9554149  72503 303742549      742450        s-trans-Propenoic acid
  301948.9280  0.0025 -3.8451 3  294.0371 91  72503 30345 342      44 341        s-trans-Propenoic acid
  301948.9280  0.0025 -4.3037 3  294.0371 91  72503 30345 342      44 441        s-trans-Propenoic acid
  301948.9280  0.0025 -4.3037 3  294.0371 91  72503 30345 442      44 341        s-trans-Propenoic acid
  301948.9280  0.0025 -3.8451 3  294.0371 91  72503 30345 442      44 441        s-trans-Propenoic acid
  301973.8819  0.0244 -5.1448 3  553.9244 81  72503 3034036 4      3936 3        s-trans-Propenoic acid
  301973.8819  0.0244 -5.1448 3  553.9244 81  72503 3034036 5      3936 4        s-trans-Propenoic acid
  302012.3248  0.0023 -4.3443 3  291.9318 89  72503 30344 440      43 539        s-trans-Propenoic acid
  302012.3265  0.0023 -3.8540 3  291.9318 89  72503 30344 540      43 539        s-trans-Propenoic acid
  302012.3284  0.0023 -3.8540 3  291.9318 89  72503 30344 440      43 439        s-trans-Propenoic acid
  302012.3301  0.0023 -4.3443 3  291.9318 89  72503 30344 540      43 439        s-trans-Propenoic acid
  302035.1803  0.0066 -5.2925 3  349.0613103  72503 30351 249      51 150        s-trans-Propenoic acid
  302035.1803  0.0066 -5.7080 3  349.0613103  72503 30351 249      51 250        s-trans-Propenoic acid
  302035.1803  0.0066 -5.7080 3  349.0613103  72503 30351 349      51 150        s-trans-Propenoic acid
  302035.1803  0.0066 -5.2925 3  349.0613103  72503 30351 349      51 250        s-trans-Propenoic acid
  302061.6419  0.0733 -5.5491 3  534.7298115  72503 303571641      561740        s-trans-Propenoic acid
  302076.3476  0.1977 -5.4891 3  900.9501149  72503 303742550      742451        s-trans-Propenoic acid
  302077.2097  0.1094 -5.8122 3  683.7344131  72503 303651946      642045        s-trans-Propenoic acid
  302088.0589  0.0229 -5.0193 3  537.5510 81  72503 3034035 5      3935 4        s-trans-Propenoic acid
  302088.0589  0.0229 -5.0193 3  537.5510 81  72503 3034035 6      3935 5        s-trans-Propenoic acid
  302089.5790  0.0067 -5.9782 3  238.5762 69  72503 303341322      341123        s-trans-Propenoic acid
  302138.9339  0.4941 -6.0486 3 1219.9916177  72503 303882762      882663        s-trans-Propenoic acid
  302145.5457  0.0021 -4.3899 3  289.2624 87  72503 30343 538      42 637        s-trans-Propenoic acid
  302145.6328  0.0021 -3.8617 3  289.2624 87  72503 30343 638      42 637        s-trans-Propenoic acid
  302145.7190  0.0021 -3.8617 3  289.2624 87  72503 30343 538      42 537        s-trans-Propenoic acid
  302145.8061  0.0021 -4.3899 3  289.2624 87  72503 30343 638      42 537        s-trans-Propenoic acid
  302194.2793  0.0404 -4.9076 3  506.3829103  72503 303512328      512229        s-trans-Propenoic acid
  302194.2807  0.0404 -4.9076 3  506.3829103  72503 303512329      512230        s-trans-Propenoic acid
  302208.9063  0.0214 -4.9124 3  521.6408 81  72503 3034034 6      3934 5        s-trans-Propenoic acid
  302208.9063  0.0214 -4.9124 3  521.6408 81  72503 3034034 7      3934 6        s-trans-Propenoic acid
  302229.6635  0.0021 -4.6030 3  277.4802 81  72503 30340 832      39 931        s-trans-Propenoic acid
  302337.3636  0.0200 -4.8188 3  506.1940 81  72503 3034033 7      3933 6        s-trans-Propenoic acid
  302337.3636  0.0200 -4.8188 3  506.1940 81  72503 3034033 8      3933 7        s-trans-Propenoic acid
  302342.8145  0.0090 -5.9390 3  319.0116 85  72503 303421329      421132        s-trans-Propenoic acid
  302403.8332  0.0020 -4.4432 3  285.9978 85  72503 30342 636      41 735        s-trans-Propenoic acid
  302406.9348  0.0020 -3.8678 3  285.9978 85  72503 30342 736      41 735        s-trans-Propenoic acid
  302409.7371  0.0020 -3.8678 3  285.9976 85  72503 30342 636      41 635        s-trans-Propenoic acid
  302412.8387  0.0020 -4.4431 3  285.9976 85  72503 30342 736      41 635        s-trans-Propenoic acid
  302422.9197  0.3284 -5.7518 3 1053.6879163  72503 303812655      812556        s-trans-Propenoic acid
  302474.5231  0.0186 -4.7352 3  491.2112 81  72503 3034032 8      3932 7        s-trans-Propenoic acid
  302474.5231  0.0186 -4.7352 3  491.2112 81  72503 3034032 9      3932 8        s-trans-Propenoic acid
  302487.9769  0.0046 -6.0277 3   94.8481 37  72503 30318 415      17 116        s-trans-Propenoic acid
  302621.6612  0.0173 -4.6595 3  476.6928 81  72503 3034031 9      3931 8        s-trans-Propenoic acid
  302621.6612  0.0173 -4.6595 3  476.6928 81  72503 303403110      3931 9        s-trans-Propenoic acid
  302717.7463  0.5055 -6.0074 3 1196.9042175  72503 303872760      872661        s-trans-Propenoic acid
  302780.2782  0.0160 -4.5902 3  462.6395 81  72503 303403010      3930 9        s-trans-Propenoic acid
  302780.2782  0.0160 -4.5902 3  462.6395 81  72503 303403011      393010        s-trans-Propenoic acid
  302815.4288  0.0020 -4.5089 3  282.0906 83  72503 30341 734      40 833        s-trans-Propenoic acid
  302858.8317  0.0099 -5.7474 3  267.4383 77  72503 303381127      38 830        s-trans-Propenoic acid
  302891.2686  0.1458 -5.7966 3 1064.6011169  72503 303841965      841866        s-trans-Propenoic acid
  302893.5884  0.0019 -3.8719 3  282.0906 83  72503 30341 834      40 833        s-trans-Propenoic acid
  302898.3468  0.0025 -3.8595 3  254.0942 75  72503 303371027      361026        s-trans-Propenoic acid
  302931.2647  0.0035 -4.4632 3  129.2094 39  72503 3031912 8      1811 7        s-trans-Propenoic acid
  302931.2681  0.0035 -4.4632 3  129.2094 39  72503 3031912 7      1811 8        s-trans-Propenoic acid
  302952.1474  0.0147 -4.5263 3  449.0517 81  72503 303402911      392910        s-trans-Propenoic acid
  302952.1474  0.0147 -4.5263 3  449.0517 81  72503 303402912      392911        s-trans-Propenoic acid
  302956.2445  0.0019 -3.8717 3  282.0859 83  72503 30341 734      40 733        s-trans-Propenoic acid
  302962.7713  0.0391 -4.8926 3  493.3172101  72503 303502327      502228        s-trans-Propenoic acid
  302962.7719  0.0391 -4.8926 3  493.3172101  72503 303502328      502229        s-trans-Propenoic acid
  303010.0151  0.0018 -3.9465 3  292.2704 79  72503 303391426      381425        s-trans-Propenoic acid
  303034.4041  0.0019 -4.5082 3  282.0859 83  72503 30341 834      40 733        s-trans-Propenoic acid
  303047.0132  0.0030 -4.7003 3  156.3497 53  72503 30326 918      25 817        s-trans-Propenoic acid
  303083.7907  0.0018 -3.9463 3  292.2729 79  72503 303391425      381424        s-trans-Propenoic acid
  303127.0939  0.0103 -6.0224 3  212.6835 67  72503 30333 924      33 627        s-trans-Propenoic acid
  303139.3794  0.0135 -4.4670 3  435.9304 81  72503 303402812      392811        s-trans-Propenoic acid
  303139.3794  0.0135 -4.4670 3  435.9304 81  72503 303402813      392812        s-trans-Propenoic acid
  303142.1232  0.0036 -5.6597 3  104.8465 39  72503 30319 614      18 315        s-trans-Propenoic acid
  303158.7773  0.3033 -6.1706 3 1277.5532185  72503 303922270      922171        s-trans-Propenoic acid
  303164.6030  0.0019 -3.8778 3  272.2063 79  72503 303391030      381029        s-trans-Propenoic acid
  303166.0352  0.3187 -6.2721 3 1336.4708189  72503 303942471      942372        s-trans-Propenoic acid
  303173.2711  0.0065 -5.9511 3  247.5939 71  72503 303351322      351125        s-trans-Propenoic acid
  303326.2340  0.3206 -5.7492 3 1053.6528163  72503 303812656      812557        s-trans-Propenoic acid
  303344.5036  0.0123 -4.4117 3  423.2763 81  72503 303402713      392712        s-trans-Propenoic acid
  303344.5036  0.0123 -4.4117 3  423.2763 81  72503 303402714      392713        s-trans-Propenoic acid
  303459.5772  0.0945 -5.1800 3  710.4545129  72503 303642440      642341        s-trans-Propenoic acid
  303461.9229  0.0945 -5.1800 3  710.4545129  72503 303642441      642342        s-trans-Propenoic acid
  303464.7670  0.0070 -5.5613 3  537.4739123  72503 30361 853      61 854        s-trans-Propenoic acid
  303464.7671  0.0070 -5.0828 3  537.4739123  72503 30361 853      61 754        s-trans-Propenoic acid
  303464.7699  0.0070 -5.0828 3  537.4739123  72503 30361 953      61 854        s-trans-Propenoic acid
  303464.7701  0.0070 -5.5613 3  537.4739123  72503 30361 953      61 754        s-trans-Propenoic acid
  303570.5758  0.0112 -4.3600 3  411.0905 81  72503 303402614      392613        s-trans-Propenoic acid
  303570.5758  0.0112 -4.3600 3  411.0905 81  72503 303402615      392614        s-trans-Propenoic acid
  303574.0455  0.0019 -3.8739 3  277.4802 81  72503 30340 932      39 931        s-trans-Propenoic acid
  303682.2945  0.0381 -4.8788 3  480.5183 99  72503 303492326      492227        s-trans-Propenoic acid
  303682.2948  0.0381 -4.8788 3  480.5183 99  72503 303492327      492228        s-trans-Propenoic acid
  303762.6869  0.1449 -5.7942 3 1064.6057169  72503 303842065      841966        s-trans-Propenoic acid
  303790.2193  0.0598 -5.8924 3  718.3194135  72503 303671949      662046        s-trans-Propenoic acid
  303805.5338  0.0026 -4.5109 3  134.3420 43  72503 303211111      201010        s-trans-Propenoic acid
  303806.7287  0.0026 -4.5109 3  134.3420 43  72503 303211110      201011        s-trans-Propenoic acid
  303821.3209  0.0101 -4.3116 3  399.3742 81  72503 303402515      392514        s-trans-Propenoic acid
  303821.3209  0.0101 -4.3116 3  399.3742 81  72503 303402516      392515        s-trans-Propenoic acid
  303835.8582  0.0714 -6.0904 3  890.2757155  72503 303771661      771662        s-trans-Propenoic acid
  303845.4304  0.0714 -5.5100 3  890.2754155  72503 303771661      771562        s-trans-Propenoic acid
  303903.3596  0.0023 -4.5749 3  141.1037 47  72503 303231014      22 913        s-trans-Propenoic acid
  303922.9327  0.0716 -5.5098 3  890.2757155  72503 303771761      771662        s-trans-Propenoic acid
  303932.5049  0.0716 -6.0901 3  890.2754155  72503 303771761      771562        s-trans-Propenoic acid
  303955.4429  0.0053 -5.0795 3  439.0540113  72503 30356 551      56 452        s-trans-Propenoic acid
  303955.4429  0.0053 -5.5251 3  439.0540113  72503 30356 551      56 552        s-trans-Propenoic acid
  303955.4429  0.0053 -5.5251 3  439.0540113  72503 30356 651      56 452        s-trans-Propenoic acid
  303955.4429  0.0053 -5.0795 3  439.0540113  72503 30356 651      56 552        s-trans-Propenoic acid
  304015.0849  0.2204 -6.0219 3 1196.7729179  72503 303892268      892169        s-trans-Propenoic acid
  304033.4507  0.1280 -5.9909 3  788.2695141  72503 303702149      692248        s-trans-Propenoic acid
  304036.9010  0.0100 -5.7627 3  261.3706 75  72503 303371225      37 928        s-trans-Propenoic acid
  304042.6708  0.0023 -4.5746 3  141.0997 47  72503 303231013      22 914        s-trans-Propenoic acid
  304101.3245  0.0091 -4.2661 3  388.1289 81  72503 303402416      392415        s-trans-Propenoic acid
  304101.3245  0.0091 -4.2661 3  388.1289 81  72503 303402417      392416        s-trans-Propenoic acid
  304124.7156  0.0052 -4.7849 3  186.0297 61  72503 30330 922      29 821        s-trans-Propenoic acid
  304355.6218  0.0373 -4.8661 3  467.9855 97  72503 303482325      482226        s-trans-Propenoic acid
  304355.6218  0.0373 -4.8661 3  467.9855 97  72503 303482326      482227        s-trans-Propenoic acid
  304366.4621  0.1849 -5.4522 3  881.6446147  72503 303732548      732449        s-trans-Propenoic acid
  304416.2964  0.0081 -4.2232 3  377.3563 81  72503 303402317      392316        s-trans-Propenoic acid
  304416.2964  0.0081 -4.2232 3  377.3563 81  72503 303402318      392317        s-trans-Propenoic acid
  304421.3305  0.0040 -6.2709 3   93.0347 31  72503 30315 8 7      14 6 8        s-trans-Propenoic acid
  304443.9679  0.1846 -5.4520 3  881.6417147  72503 303732549      732450        s-trans-Propenoic acid
  304476.2635  0.0020 -3.8710 3  277.4053 81  72503 30340 832      39 831        s-trans-Propenoic acid
  304513.6945  0.0022 -3.8592 3  261.3706 77  72503 30338 929      37 928        s-trans-Propenoic acid
  304740.2874  0.0018 -3.9209 3  286.5194 79  72503 303391327      381326        s-trans-Propenoic acid
  304773.4395  0.0071 -4.1829 3  367.0586 81  72503 303402218      392217        s-trans-Propenoic acid
  304773.4395  0.0071 -4.1829 3  367.0586 81  72503 303402219      392218        s-trans-Propenoic acid
  304807.8070  0.0024 -4.6752 3  149.5770 51  72503 30325 916      24 817        s-trans-Propenoic acid
  304815.5633  0.0087 -5.5999 3  577.0889127  72503 30363 954      63 955        s-trans-Propenoic acid
  304815.5641  0.0087 -5.1103 3  577.0889127  72503 30363 954      63 855        s-trans-Propenoic acid
  304815.5769  0.0087 -5.1103 3  577.0889127  72503 303631054      63 955        s-trans-Propenoic acid
  304815.5777  0.0087 -5.5999 3  577.0889127  72503 303631054      63 855        s-trans-Propenoic acid
  304867.8515  0.0040 -6.2701 3   93.0197 31  72503 30315 8 8      14 6 9        s-trans-Propenoic acid
  304960.2386  0.0881 -5.1524 3  693.8959127  72503 303632439      632340        s-trans-Propenoic acid
  304961.4133  0.0881 -5.1524 3  693.8959127  72503 303632440      632341        s-trans-Propenoic acid
  304985.3416  0.0367 -4.8547 3  455.7181 95  72503 303472324      472225        s-trans-Propenoic acid
  304985.3417  0.0367 -4.8547 3  455.7181 95  72503 303472325      472226        s-trans-Propenoic acid
  304992.6424  0.0053 -5.1778 3  381.9738107  72503 30353 350      53 251        s-trans-Propenoic acid
  304992.6424  0.0053 -5.6028 3  381.9738107  72503 30353 350      53 351        s-trans-Propenoic acid
  304992.6424  0.0053 -5.6028 3  381.9738107  72503 30353 450      53 251        s-trans-Propenoic acid
  304992.6424  0.0053 -5.1778 3  381.9738107  72503 30353 450      53 351        s-trans-Propenoic acid
  305071.5232  0.0091 -5.5397 3  327.9848101  72503 30350 149      50 050        s-trans-Propenoic acid
  305071.5232  0.0091 -5.9454 3  327.9848101  72503 30350 149      50 150        s-trans-Propenoic acid
  305071.5232  0.0091 -5.9454 3  327.9848101  72503 30350 249      50 050        s-trans-Propenoic acid
  305071.5232  0.0091 -5.5397 3  327.9848101  72503 30350 249      50 150        s-trans-Propenoic acid
  305100.4463  0.7186 -6.2378 3 1325.6146185  72503 303922864      922765        s-trans-Propenoic acid
  305181.9797  0.0062 -4.1449 3  357.2387 81  72503 303402119      392118        s-trans-Propenoic acid
  305181.9797  0.0062 -4.1449 3  357.2387 81  72503 303402120      392119        s-trans-Propenoic acid
  305270.9478  0.0089 -5.6637 3  292.3460 81  72503 303401228      40 931        s-trans-Propenoic acid
  305343.8270  0.0019 -3.9192 3  286.5434 79  72503 303391326      381325        s-trans-Propenoic acid
  305367.1302  0.0556 -5.9994 3  841.7520151  72503 303751560      751561        s-trans-Propenoic acid
  305370.1123  0.0556 -5.4340 3  841.7519151  72503 303751560      751461        s-trans-Propenoic acid
  305396.7411  0.0557 -5.4340 3  841.7520151  72503 303751660      751561        s-trans-Propenoic acid
  305399.7232  0.0557 -5.9993 3  841.7519151  72503 303751660      751461        s-trans-Propenoic acid
  305573.8774  0.0363 -4.8444 3  443.7154 93  72503 303462323      462224        s-trans-Propenoic acid
  305573.8774  0.0363 -4.8444 3  443.7154 93  72503 303462324      462225        s-trans-Propenoic acid
  305651.5947  0.0035 -4.7201 3  163.2866 55  72503 30327 919      26 818        s-trans-Propenoic acid
  305653.9510  0.0053 -4.1090 3  347.8999 81  72503 303402020      392019        s-trans-Propenoic acid
  305653.9510  0.0053 -4.1090 3  347.8999 81  72503 303402021      392020        s-trans-Propenoic acid
  305683.0245  0.4686 -5.9990 3 1196.7863175  72503 303872761      872662        s-trans-Propenoic acid
  305803.5433  0.3050 -5.7073 3 1032.4269161  72503 303802654      802555        s-trans-Propenoic acid
  305820.6455  0.0021 -4.5920 3  277.4053 81  72503 30340 932      39 831        s-trans-Propenoic acid
  305851.2786  0.0117 -5.6477 3  618.0021131  72503 303651055      651056        s-trans-Propenoic acid
  305851.2822  0.0117 -5.1466 3  618.0021131  72503 303651055      65 956        s-trans-Propenoic acid
  305851.3364  0.0117 -5.1466 3  618.0021131  72503 303651155      651056        s-trans-Propenoic acid
  305851.3400  0.0117 -5.6477 3  618.0021131  72503 303651155      65 956        s-trans-Propenoic acid
  306040.8045  0.0059 -5.5310 3  114.4995 43  72503 30321 516      20 417        s-trans-Propenoic acid
  306057.8783  0.0048 -4.7665 3  178.1346 59  72503 30329 921      28 820        s-trans-Propenoic acid
  306123.5029  0.0360 -4.8354 3  431.9769 91  72503 303452322      452223        s-trans-Propenoic acid
  306123.5029  0.0360 -4.8354 3  431.9769 91  72503 303452323      452224        s-trans-Propenoic acid
  306142.2823  0.0063 -5.9688 3  238.4426 69  72503 303341321      341124        s-trans-Propenoic acid
  306180.0100  0.0060 -5.0702 3  475.3519117  72503 30358 652      58 553        s-trans-Propenoic acid
  306180.0100  0.0060 -5.5259 3  475.3519117  72503 30358 652      58 653        s-trans-Propenoic acid
  306180.0100  0.0060 -5.5259 3  475.3519117  72503 30358 752      58 553        s-trans-Propenoic acid
  306180.0100  0.0060 -5.0702 3  475.3519117  72503 30358 752      58 653        s-trans-Propenoic acid
  306205.3998  0.0045 -4.0751 3  339.0469 81  72503 303401922      391921        s-trans-Propenoic acid
  306205.4000  0.0045 -4.0751 3  339.0469 81  72503 303401921      391920        s-trans-Propenoic acid
  306309.1524  0.0020 -3.8820 3  276.6742 79  72503 303391129      381128        s-trans-Propenoic acid
  306335.0170  0.0019 -3.8979 3  281.3497 79  72503 303391228      381227        s-trans-Propenoic acid
  306338.0598  0.3007 -5.7058 3 1032.4063161  72503 303802655      802556        s-trans-Propenoic acid
  306341.1871  0.0424 -5.9152 3  794.4733147  72503 303731459      731460        s-trans-Propenoic acid
  306342.0672  0.0424 -5.3639 3  794.4733147  72503 303731459      731360        s-trans-Propenoic acid
  306350.7441  0.0425 -5.3639 3  794.4733147  72503 303731559      731460        s-trans-Propenoic acid
  306351.6242  0.0425 -5.9152 3  794.4733147  72503 303731559      731360        s-trans-Propenoic acid
  306368.8008  0.0823 -5.1258 3  677.6137125  72503 303622438      622339        s-trans-Propenoic acid
  306369.3795  0.0823 -5.1258 3  677.6137125  72503 303622439      622340        s-trans-Propenoic acid
  306483.0678  0.1174 -5.7019 3 1011.7661165  72503 303821864      821765        s-trans-Propenoic acid
  306550.4510  0.0165 -5.7037 3  660.2055135  72503 303671156      671157        s-trans-Propenoic acid
  306550.4667  0.0165 -5.1907 3  660.2055135  72503 303671156      671057        s-trans-Propenoic acid
  306550.6793  0.0165 -5.1907 3  660.2055135  72503 303671256      671157        s-trans-Propenoic acid
  306550.6950  0.0165 -5.7037 3  660.2055135  72503 303671256      671057        s-trans-Propenoic acid
  306622.0792  0.1724 -5.4162 3  862.6215145  72503 303722547      722448        s-trans-Propenoic acid
  306636.3572  0.0359 -4.8278 3  420.5018 89  72503 303442321      442222        s-trans-Propenoic acid
  306636.3572  0.0359 -4.8278 3  420.5018 89  72503 303442322      442223        s-trans-Propenoic acid
  306650.0735  0.0042 -4.7434 3  170.5493 57  72503 30328 920      27 819        s-trans-Propenoic acid
  306664.7170  0.1723 -5.4160 3  862.6199145  72503 303722548      722449        s-trans-Propenoic acid
  306710.6655  0.1859 -5.9212 3 1140.8844175  72503 303872067      871968        s-trans-Propenoic acid
  306749.5679  0.0327 -5.2442 3  405.9825 99  72503 303491336      481435        s-trans-Propenoic acid
  306785.1223  0.0063 -5.9950 3  229.6436 67  72503 303331321      331122        s-trans-Propenoic acid
  306824.8100  0.1176 -5.7009 3 1011.7678165  72503 303821964      821865        s-trans-Propenoic acid
  306830.7262  0.0317 -5.8378 3  748.4498143  72503 303711358      711359        s-trans-Propenoic acid
  306830.9715  0.0317 -5.2998 3  748.4498143  72503 303711358      711259        s-trans-Propenoic acid
  306832.3527  0.0125 -5.9275 3  302.5288 81  72503 303401427      401228        s-trans-Propenoic acid
  306833.6468  0.0317 -5.2998 3  748.4498143  72503 303711458      711359        s-trans-Propenoic acid
  306833.8921  0.0317 -5.8378 3  748.4498143  72503 303711458      711259        s-trans-Propenoic acid
  306858.3167  0.0038 -4.0431 3  330.6855 81  72503 303401823      391822        s-trans-Propenoic acid
  306858.3216  0.0038 -4.0431 3  330.6855 81  72503 303401822      391821        s-trans-Propenoic acid
  306887.3785  0.0231 -5.7672 3  703.6909139  72503 303691257      691258        s-trans-Propenoic acid
  306887.4427  0.0231 -5.2420 3  703.6909139  72503 303691257      691158        s-trans-Propenoic acid
  306888.2208  0.0231 -5.2420 3  703.6909139  72503 303691357      691258        s-trans-Propenoic acid
  306888.2851  0.0231 -5.7672 3  703.6909139  72503 303691357      691158        s-trans-Propenoic acid
  306948.0935  0.0141 -4.9970 3  335.1310 89  72503 303441133      431232        s-trans-Propenoic acid
  306960.1678  0.0058 -5.8933 3  114.4688 43  72503 30321 516      20 317        s-trans-Propenoic acid
  306977.8602  0.0899 -6.0290 3  509.7665111  72503 303551739      551540        s-trans-Propenoic acid
  307024.0729  0.6552 -6.2752 3 1349.9627187  72503 303932866      932767        s-trans-Propenoic acid
  307064.6773  0.0043 -6.1272 3  102.0960 39  72503 30319 515      18 316        s-trans-Propenoic acid
  307114.4564  0.0358 -4.8215 3  409.2896 87  72503 303432320      432221        s-trans-Propenoic acid
  307114.4564  0.0358 -4.8215 3  409.2896 87  72503 303432321      432222        s-trans-Propenoic acid
  307149.8634  0.0030 -3.8706 3  267.2952 77  72503 303381127      371126        s-trans-Propenoic acid
  307279.6598  0.0043 -5.7543 3  102.0888 39  72503 30319 515      18 216        s-trans-Propenoic acid
  307308.6593  0.4643 -5.9556 3 1173.9506173  72503 303862759      862660        s-trans-Propenoic acid
  307559.7051  0.0359 -4.8167 3  398.3398 85  72503 303422319      422220        s-trans-Propenoic acid
  307559.7051  0.0359 -4.8167 3  398.3398 85  72503 303422320      422221        s-trans-Propenoic acid
  307643.8973  0.0031 -4.0128 3  322.8239 81  72503 303401724      391723        s-trans-Propenoic acid
  307643.9804  0.0031 -4.0128 3  322.8239 81  72503 303401723      391722        s-trans-Propenoic acid
  307691.7275  0.0769 -5.1002 3  661.6068123  72503 303612437      612338        s-trans-Propenoic acid
  307692.0078  0.0769 -5.1002 3  661.6067123  72503 303612438      612339        s-trans-Propenoic acid
  307713.9956  0.2720 -6.1583 3 1277.5836185  72503 303922370      922271        s-trans-Propenoic acid
  307721.6880  0.2138 -6.1832 3  665.8865129  72503 303641946      641747        s-trans-Propenoic acid
  307722.4569  0.0052 -5.1175 3  416.2295111  72503 30355 451      55 352        s-trans-Propenoic acid
  307722.4569  0.0052 -5.5522 3  416.2295111  72503 30355 451      55 452        s-trans-Propenoic acid
  307722.4569  0.0052 -5.5522 3  416.2295111  72503 30355 551      55 352        s-trans-Propenoic acid
  307722.4569  0.0052 -5.1175 3  416.2295111  72503 30355 551      55 452        s-trans-Propenoic acid
  307839.9775  0.0078 -4.8485 3  308.0683 85  72503 303421032      411131        s-trans-Propenoic acid
  307862.1346  0.0840 -5.9420 3  761.7169139  72503 303692050      682147        s-trans-Propenoic acid
  307956.3116  0.0923 -5.6261 3  587.3447121  72503 303601743      591842        s-trans-Propenoic acid
  307973.9054  0.0360 -4.8135 3  387.6517 83  72503 303412318      412219        s-trans-Propenoic acid
  307973.9054  0.0360 -4.8135 3  387.6517 83  72503 303412319      412220        s-trans-Propenoic acid
  308038.9427  0.1830 -5.9176 3 1140.8919175  72503 303872167      872068        s-trans-Propenoic acid
  308117.4422  0.0068 -4.3738 3  127.3584 33  72503 3031614 2      1513 3        s-trans-Propenoic acid
  308117.4422  0.0068 -4.3738 3  127.3584 33  72503 3031614 3      1513 2        s-trans-Propenoic acid
  308135.3793  0.0033 -3.8185 3  306.7039 97  72503 30348 147      47 146        s-trans-Propenoic acid
  308135.3793  0.0033 -4.2260 3  306.7039 97  72503 30348 147      47 246        s-trans-Propenoic acid
  308135.3793  0.0033 -4.2260 3  306.7039 97  72503 30348 247      47 146        s-trans-Propenoic acid
  308135.3793  0.0033 -3.8185 3  306.7039 97  72503 30348 247      47 246        s-trans-Propenoic acid
  308137.6488  0.0039 -3.8070 3  307.2207 99  72503 30349 049      48 048        s-trans-Propenoic acid
  308137.6488  0.0039 -4.1944 3  307.2207 99  72503 30349 049      48 148        s-trans-Propenoic acid
  308137.6488  0.0039 -4.1944 3  307.2207 99  72503 30349 149      48 048        s-trans-Propenoic acid
  308137.6488  0.0039 -3.8070 3  307.2207 99  72503 30349 149      48 148        s-trans-Propenoic acid
  308140.7256  0.0030 -3.8291 3  305.6702 95  72503 30347 245      46 244        s-trans-Propenoic acid
  308140.7256  0.0030 -4.2594 3  305.6702 95  72503 30347 245      46 344        s-trans-Propenoic acid
  308140.7256  0.0030 -4.2594 3  305.6702 95  72503 30347 345      46 244        s-trans-Propenoic acid
  308140.7256  0.0030 -3.8291 3  305.6702 95  72503 30347 345      46 344        s-trans-Propenoic acid
  308143.4774  0.0068 -5.0765 3  512.9712121  72503 30360 753      60 654        s-trans-Propenoic acid
  308143.4774  0.0068 -5.5425 3  512.9712121  72503 30360 753      60 754        s-trans-Propenoic acid
  308143.4777  0.0068 -5.5425 3  512.9712121  72503 30360 853      60 654        s-trans-Propenoic acid
  308143.4777  0.0068 -5.0765 3  512.9712121  72503 30360 853      60 754        s-trans-Propenoic acid
  308164.2898  0.0028 -3.8388 3  304.1090 93  72503 30346 343      45 342        s-trans-Propenoic acid
  308164.2898  0.0028 -4.2953 3  304.1090 93  72503 30346 343      45 442        s-trans-Propenoic acid
  308164.2898  0.0028 -4.2953 3  304.1090 93  72503 30346 443      45 342        s-trans-Propenoic acid
  308164.2898  0.0028 -3.8388 3  304.1090 93  72503 30346 443      45 442        s-trans-Propenoic acid
  308223.2871  0.0025 -4.3345 3  302.0059 91  72503 30345 441      44 540        s-trans-Propenoic acid
  308223.2879  0.0025 -3.8475 3  302.0059 91  72503 30345 541      44 540        s-trans-Propenoic acid
  308223.2888  0.0025 -3.8475 3  302.0059 91  72503 30345 441      44 440        s-trans-Propenoic acid
  308223.2897  0.0025 -4.3345 3  302.0059 91  72503 30345 541      44 440        s-trans-Propenoic acid
  308253.4310  0.0069 -5.2982 3  360.1691105  72503 30352 250      52 151        s-trans-Propenoic acid
  308253.4310  0.0069 -5.7132 3  360.1691105  72503 30352 250      52 251        s-trans-Propenoic acid
  308253.4310  0.0069 -5.7132 3  360.1691105  72503 30352 350      52 151        s-trans-Propenoic acid
  308253.4310  0.0069 -5.2982 3  360.1691105  72503 30352 350      52 251        s-trans-Propenoic acid
  308346.8753  0.0023 -4.3785 3  299.3409 89  72503 30344 539      43 638        s-trans-Propenoic acid
  308346.9188  0.0023 -3.8549 3  299.3409 89  72503 30344 639      43 638        s-trans-Propenoic acid
  308346.9624  0.0023 -3.8549 3  299.3409 89  72503 30344 539      43 538        s-trans-Propenoic acid
  308347.0059  0.0023 -4.3785 3  299.3409 89  72503 30344 639      43 538        s-trans-Propenoic acid
  308358.7660  0.0362 -4.8119 3  377.2248 81  72503 303402317      402218        s-trans-Propenoic acid
  308358.7660  0.0362 -4.8119 3  377.2248 81  72503 303402318      402219        s-trans-Propenoic acid
  308585.9195  0.0022 -4.4293 3  296.0850 87  72503 30343 637      42 736        s-trans-Propenoic acid
  308587.5375  0.0022 -3.8608 3  296.0850 87  72503 30343 737      42 736        s-trans-Propenoic acid
  308589.0211  0.0022 -3.8608 3  296.0849 87  72503 30343 637      42 636        s-trans-Propenoic acid
  308590.6391  0.0022 -4.4293 3  296.0849 87  72503 30343 737      42 636        s-trans-Propenoic acid
  308608.1731  0.0025 -3.9840 3  315.4733 81  72503 303401625      391624        s-trans-Propenoic acid
  308609.3726  0.0025 -3.9840 3  315.4734 81  72503 303401624      391623        s-trans-Propenoic acid
  308614.9718  0.1448 -6.1832 3  900.9554151  72503 303752353      742450        s-trans-Propenoic acid
  308686.5787  0.1564 -6.2310 3  810.5733145  72503 303721954      712051        s-trans-Propenoic acid
  308715.9090  0.0364 -4.8121 3  367.0586 79  72503 303392316      392217        s-trans-Propenoic acid
  308715.9090  0.0364 -4.8121 3  367.0586 79  72503 303392317      392218        s-trans-Propenoic acid
  308724.7064  0.1609 -5.3813 3  843.8838143  72503 303712546      712447        s-trans-Propenoic acid
  308747.8131  0.1608 -5.3812 3  843.8829143  72503 303712547      712448        s-trans-Propenoic acid
  308873.5880  0.2841 -5.6644 3 1011.4651159  72503 303792653      792554        s-trans-Propenoic acid
  308934.7838  0.0719 -5.0756 3  645.8740121  72503 303602436      602337        s-trans-Propenoic acid
  308934.9173  0.0719 -5.0756 3  645.8740121  72503 303602437      602338        s-trans-Propenoic acid
  308945.5877  0.0021 -4.5755 3  287.6063 83  72503 30341 833      40 932        s-trans-Propenoic acid
  308994.1712  0.0021 -4.4910 3  292.1941 85  72503 30342 735      41 834        s-trans-Propenoic acid
  309037.1189  0.0021 -3.8648 3  292.1941 85  72503 30342 835      41 834        s-trans-Propenoic acid
  309043.9383  0.0035 -5.9126 3  107.5001 39  72503 30319 713      18 514        s-trans-Propenoic acid
  309046.8771  0.0367 -4.8142 3  357.1527 77  72503 303382315      382216        s-trans-Propenoic acid
  309046.8771  0.0367 -4.8142 3  357.1527 77  72503 303382316      382217        s-trans-Propenoic acid
  309072.3308  0.0021 -3.8647 3  292.1915 85  72503 30342 735      41 734        s-trans-Propenoic acid
  309074.9665  0.0061 -5.9896 3  229.5679 67  72503 303331320      331123        s-trans-Propenoic acid
  309115.2785  0.0021 -4.4907 3  292.1915 85  72503 30342 835      41 734        s-trans-Propenoic acid
  309120.3501  0.0941 -6.2038 3  960.1439161  72503 303801763      801764        s-trans-Propenoic acid
  309137.0738  0.0941 -5.6134 3  960.1434161  72503 303801763      801664        s-trans-Propenoic acid
  309140.4870  0.4427 -5.9505 3 1173.8785173  72503 303862760      862661        s-trans-Propenoic acid
  309151.4332  0.1264 -6.0941 3  853.0516147  72503 303732252      722349        s-trans-Propenoic acid
  309159.2881  0.0338 -5.8768 3  634.1011 83  72503 3034140 1      4040 0        s-trans-Propenoic acid
  309159.2881  0.0338 -5.8768 3  634.1011 83  72503 3034140 2      4040 1        s-trans-Propenoic acid
  309178.6411  0.1064 -6.0121 3  806.6346143  72503 303712151      702248        s-trans-Propenoic acid
  309185.0312  0.2817 -5.6635 3 1011.4532159  72503 303792654      792555        s-trans-Propenoic acid
  309259.4316  0.0319 -5.5429 3  615.8819 83  72503 3034139 2      4039 1        s-trans-Propenoic acid
  309259.4316  0.0319 -5.5429 3  615.8819 83  72503 3034139 3      4039 2        s-trans-Propenoic acid
  309264.5174  0.0944 -5.6131 3  960.1439161  72503 303801863      801764        s-trans-Propenoic acid
  309281.2411  0.0944 -6.2033 3  960.1434161  72503 303801863      801664        s-trans-Propenoic acid
  309327.8905  0.0049 -4.4109 3  129.9349 37  72503 3031813 6      1712 5        s-trans-Propenoic acid
  309327.8906  0.0049 -4.4109 3  129.9349 37  72503 3031813 5      1712 6        s-trans-Propenoic acid
  309353.1389  0.0370 -4.8184 3  347.5065 75  72503 303372314      372215        s-trans-Propenoic acid
  309353.1389  0.0370 -4.8184 3  347.5065 75  72503 303372315      372216        s-trans-Propenoic acid
  309363.9330  0.0301 -5.3350 3  598.1246 83  72503 3034138 3      4038 2        s-trans-Propenoic acid
  309363.9330  0.0301 -5.3350 3  598.1246 83  72503 3034138 4      4038 3        s-trans-Propenoic acid
  309473.3718  0.0284 -5.1793 3  580.8296 83  72503 3034137 4      4037 3        s-trans-Propenoic acid
  309473.3718  0.0284 -5.1793 3  580.8296 83  72503 3034137 5      4037 4        s-trans-Propenoic acid
  309576.1571  0.0023 -3.8558 3  271.5281 79  72503 30339 930      38 929        s-trans-Propenoic acid
  309588.4103  0.0267 -5.0526 3  563.9971 83  72503 3034136 5      4036 4        s-trans-Propenoic acid
  309588.4103  0.0267 -5.0526 3  563.9971 83  72503 3034136 6      4036 5        s-trans-Propenoic acid
  309636.0949  0.0373 -4.8249 3  338.1196 73  72503 303362313      362214        s-trans-Propenoic acid
  309636.0949  0.0373 -4.8249 3  338.1196 73  72503 303362314      362215        s-trans-Propenoic acid
  309709.8088  0.0250 -4.9446 3  547.6276 83  72503 3034135 6      4035 5        s-trans-Propenoic acid
  309709.8088  0.0250 -4.9446 3  547.6276 83  72503 3034135 7      4035 6        s-trans-Propenoic acid
  309736.9477  0.0020 -3.8665 3  287.6063 83  72503 30341 933      40 932        s-trans-Propenoic acid
  309808.3653  0.0020 -3.8686 3  282.3187 81  72503 303401031      391030        s-trans-Propenoic acid
  309819.8182  0.0021 -3.9565 3  308.6501 81  72503 303401526      391525        s-trans-Propenoic acid
  309828.3604  0.0027 -3.8881 3  281.5269 79  72503 303391227      381226        s-trans-Propenoic acid
  309833.4216  0.0078 -5.5717 3  551.9046125  72503 30362 854      62 855        s-trans-Propenoic acid
  309833.4217  0.0078 -5.0950 3  551.9046125  72503 30362 854      62 755        s-trans-Propenoic acid
  309833.4231  0.0078 -5.0950 3  551.9046125  72503 30362 954      62 855        s-trans-Propenoic acid
  309833.4232  0.0078 -5.5717 3  551.9046125  72503 30362 954      62 755        s-trans-Propenoic acid
  309834.1905  0.0021 -3.9565 3  308.6505 81  72503 303401525      391524        s-trans-Propenoic acid
  309838.4433  0.0234 -4.8500 3  531.7214 83  72503 3034134 7      4034 6        s-trans-Propenoic acid
  309838.4433  0.0234 -4.8500 3  531.7214 83  72503 3034134 8      4034 7        s-trans-Propenoic acid
  309840.7278  0.0113 -6.0591 3  303.2029 83  72503 303411229      411032        s-trans-Propenoic acid
  309897.0813  0.0376 -4.8340 3  328.9915 71  72503 303352312      352213        s-trans-Propenoic acid
  309897.0813  0.0376 -4.8340 3  328.9915 71  72503 303352313      352214        s-trans-Propenoic acid
  309975.3283  0.0219 -4.7653 3  516.2789 83  72503 3034133 8      4033 7        s-trans-Propenoic acid
  309975.3283  0.0219 -4.7653 3  516.2789 83  72503 3034133 9      4033 8        s-trans-Propenoic acid
  310068.0829  0.2360 -6.0538 3 1219.8556181  72503 303902169      902070        s-trans-Propenoic acid
  310103.1570  0.0675 -5.0520 3  630.4144119  72503 303592435      592336        s-trans-Propenoic acid
  310103.2195  0.0675 -5.0520 3  630.4144119  72503 303592436      592337        s-trans-Propenoic acid
  310111.5699  0.0103 -5.9674 3  330.1813 87  72503 303431330      431133        s-trans-Propenoic acid
  310121.6433  0.0203 -4.6884 3  501.3007 83  72503 3034132 9      4032 8        s-trans-Propenoic acid
  310121.6433  0.0203 -4.6884 3  501.3007 83  72503 303413210      4032 9        s-trans-Propenoic acid
  310137.3746  0.0380 -4.8460 3  320.1219 69  72503 303342311      342212        s-trans-Propenoic acid
  310137.3746  0.0380 -4.8460 3  320.1219 69  72503 303342312      342213        s-trans-Propenoic acid
  310216.8728  0.0058 -5.0886 3  451.8212115  72503 30357 552      57 453        s-trans-Propenoic acid
  310216.8728  0.0058 -5.5330 3  451.8212115  72503 30357 552      57 553        s-trans-Propenoic acid
  310216.8728  0.0058 -5.5330 3  451.8212115  72503 30357 652      57 453        s-trans-Propenoic acid
  310216.8728  0.0058 -5.0886 3  451.8212115  72503 30357 652      57 553        s-trans-Propenoic acid
  310278.7679  0.0189 -4.6180 3  486.7872 83  72503 303413110      4031 9        s-trans-Propenoic acid
  310278.7679  0.0189 -4.6180 3  486.7872 83  72503 303413111      403110        s-trans-Propenoic acid
  310289.9697  0.0020 -3.8649 3  287.5615 83  72503 30341 833      40 832        s-trans-Propenoic acid
  310358.1951  0.0383 -4.8614 3  311.5102 67  72503 303332310      332211        s-trans-Propenoic acid
  310358.1951  0.0383 -4.8614 3  311.5102 67  72503 303332311      332212        s-trans-Propenoic acid
  310363.1629  0.1299 -5.8943 3  743.7986137  72503 303682048      672147        s-trans-Propenoic acid
  310385.7757  0.0033 -4.6889 3  292.6528 83  72503 30341 932      401031        s-trans-Propenoic acid
  310415.8067  0.0034 -4.4521 3  134.0373 41  72503 3032012 9      1911 8        s-trans-Propenoic acid
  310415.8193  0.0034 -4.4521 3  134.0373 41  72503 3032012 8      1911 9        s-trans-Propenoic acid
  310448.3240  0.0175 -4.5529 3  472.7391 83  72503 303413011      403010        s-trans-Propenoic acid
  310448.3240  0.0175 -4.5529 3  472.7391 83  72503 303413012      403011        s-trans-Propenoic acid
  310560.7104  0.0387 -4.8807 3  303.1560 65  72503 3033223 9      322210        s-trans-Propenoic acid
  310560.7104  0.0387 -4.8807 3  303.1560 65  72503 303322310      322211        s-trans-Propenoic acid
  310622.3183  0.0061 -6.0166 3  221.0125 65  72503 303321320      321121        s-trans-Propenoic acid
  310628.1376  0.0039 -6.1785 3   96.9110 33  72503 30316 8 8      15 6 9        s-trans-Propenoic acid
  310632.2301  0.0161 -4.4925 3  459.1571 83  72503 303412912      402911        s-trans-Propenoic acid
  310632.2301  0.0161 -4.4925 3  459.1571 83  72503 303412913      402912        s-trans-Propenoic acid
  310690.2637  0.1501 -5.3475 3  825.4297141  72503 303702545      702446        s-trans-Propenoic acid
  310693.8216  0.6275 -6.2223 3 1325.3887185  72503 303922865      922766        s-trans-Propenoic acid
  310696.4557  0.1587 -6.1770 3  900.9501151  72503 303752352      742451        s-trans-Propenoic acid
  310702.5994  0.1501 -5.3475 3  825.4292141  72503 303702546      702447        s-trans-Propenoic acid
  310746.0380  0.0390 -4.9047 3  295.0591 63  72503 3033123 8      3122 9        s-trans-Propenoic acid
  310746.0380  0.0390 -4.9047 3  295.0591 63  72503 3033123 9      312210        s-trans-Propenoic acid
  310804.5073  0.0551 -5.9213 3  736.0663137  72503 303681950      672047        s-trans-Propenoic acid
  310814.6121  0.6531 -6.1799 3 1301.2539183  72503 303912863      912764        s-trans-Propenoic acid
  310832.7714  0.0147 -4.4361 3  446.0420 83  72503 303412813      402812        s-trans-Propenoic acid
  310832.7714  0.0147 -4.4361 3  446.0420 83  72503 303412814      402813        s-trans-Propenoic acid
  310891.6753  0.0023 -4.5714 3  147.0386 49  72503 303241015      23 914        s-trans-Propenoic acid
  310915.2481  0.0394 -4.9343 3  287.2189 61  72503 3033023 7      3022 8        s-trans-Propenoic acid
  310915.2481  0.0394 -4.9343 3  287.2189 61  72503 3033023 8      3022 9        s-trans-Propenoic acid
  310968.1322  0.1503 -5.8198 3 1086.2006171  72503 303851966      851867        s-trans-Propenoic acid
  311052.6889  0.0135 -4.3833 3  433.3948 83  72503 303412714      402713        s-trans-Propenoic acid
  311052.6889  0.0135 -4.3833 3  433.3948 83  72503 303412715      402714        s-trans-Propenoic acid
  311060.4511  0.0746 -6.1060 3  909.7462157  72503 303781662      781663        s-trans-Propenoic acid
  311065.8416  0.0746 -5.5309 3  909.7460157  72503 303781662      781563        s-trans-Propenoic acid
  311069.3655  0.0397 -4.9709 3  279.6352 59  72503 3032923 6      2922 7        s-trans-Propenoic acid
  311069.3655  0.0397 -4.9709 3  279.6352 59  72503 3032923 7      2922 8        s-trans-Propenoic acid
  311081.3297  0.0021 -4.5692 3  287.5615 83  72503 30341 933      40 832        s-trans-Propenoic acid
  311111.0474  0.0748 -5.5308 3  909.7462157  72503 303781762      781663        s-trans-Propenoic acid
  311116.4380  0.0748 -6.1058 3  909.7460157  72503 303781762      781563        s-trans-Propenoic acid
  311171.4347  0.0026 -4.5022 3  139.7091 45  72503 303221112      211011        s-trans-Propenoic acid
  311174.7426  0.0026 -4.5022 3  139.7090 45  72503 303221111      211012        s-trans-Propenoic acid
  311197.7375  0.0023 -4.5707 3  147.0298 49  72503 303241014      23 915        s-trans-Propenoic acid
  311201.5468  0.0635 -5.0295 3  615.2269117  72503 303582434      582335        s-trans-Propenoic acid
  311201.5755  0.0635 -5.0295 3  615.2269117  72503 303582435      582336        s-trans-Propenoic acid
  311209.3722  0.0401 -5.0167 3  272.3076 57  72503 3032823 5      2822 6        s-trans-Propenoic acid
  311209.3722  0.0401 -5.0167 3  272.3076 57  72503 3032823 6      2822 7        s-trans-Propenoic acid
  311219.0893  0.0057 -5.1849 3  393.7036109  72503 30354 351      54 252        s-trans-Propenoic acid
  311219.0893  0.0057 -5.6092 3  393.7036109  72503 30354 351      54 352        s-trans-Propenoic acid
  311219.0893  0.0057 -5.6092 3  393.7036109  72503 30354 451      54 252        s-trans-Propenoic acid
  311219.0893  0.0057 -5.1849 3  393.7036109  72503 30354 451      54 352        s-trans-Propenoic acid
  311235.4288  0.0096 -5.6113 3  592.1446129  72503 30364 955      64 956        s-trans-Propenoic acid
  311235.4291  0.0096 -5.1238 3  592.1446129  72503 30364 955      64 856        s-trans-Propenoic acid
  311235.4358  0.0096 -5.1238 3  592.1446129  72503 303641055      64 956        s-trans-Propenoic acid
  311235.4361  0.0096 -5.6113 3  592.1446129  72503 303641055      64 856        s-trans-Propenoic acid
  311274.2839  0.0025 -3.8441 3  264.1978 77  72503 303381028      371027        s-trans-Propenoic acid
  311285.5782  0.0096 -5.5446 3  338.6780103  72503 30351 150      51 051        s-trans-Propenoic acid
  311285.5782  0.0096 -5.9502 3  338.6780103  72503 30351 150      51 151        s-trans-Propenoic acid
  311285.5782  0.0096 -5.9502 3  338.6780103  72503 30351 250      51 051        s-trans-Propenoic acid
  311285.5782  0.0096 -5.5446 3  338.6780103  72503 30351 250      51 151        s-trans-Propenoic acid
  311295.2981  0.0122 -4.3338 3  421.2166 83  72503 303412615      402614        s-trans-Propenoic acid
  311295.2981  0.0122 -4.3338 3  421.2166 83  72503 303412616      402615        s-trans-Propenoic acid
  311336.2090  0.0405 -5.0749 3  265.2357 55  72503 3032723 4      2722 5        s-trans-Propenoic acid
  311336.2090  0.0405 -5.0749 3  265.2357 55  72503 3032723 5      2722 6        s-trans-Propenoic acid
  311355.9014  0.4296 -5.9062 3 1151.3112171  72503 303852758      852659        s-trans-Propenoic acid
  311360.8577  0.0019 -3.9301 3  302.3777 81  72503 303401427      391426        s-trans-Propenoic acid
  311450.7765  0.0408 -5.1510 3  258.4193 53  72503 3032623 3      2622 4        s-trans-Propenoic acid
  311450.7765  0.0408 -5.1510 3  258.4193 53  72503 3032623 4      2622 5        s-trans-Propenoic acid
  311500.1552  0.0019 -3.9297 3  302.3826 81  72503 303401426      391425        s-trans-Propenoic acid
  311504.0319  0.1503 -5.8184 3 1086.2033171  72503 303852066      851967        s-trans-Propenoic acid
  311553.9376  0.0412 -5.2552 3  251.8580 51  72503 3032523 2      2522 3        s-trans-Propenoic acid
  311553.9376  0.0412 -5.2552 3  251.8580 51  72503 3032523 3      2522 4        s-trans-Propenoic acid
  311564.6457  0.0110 -4.2872 3  409.5086 83  72503 303412516      402515        s-trans-Propenoic acid
  311564.6457  0.0110 -4.2872 3  409.5086 83  72503 303412517      402516        s-trans-Propenoic acid
  311613.5535  0.0039 -6.1768 3   96.8779 33  72503 30316 8 9      15 610        s-trans-Propenoic acid
  311646.5175  0.0415 -5.4106 3  245.5514 49  72503 3032423 1      2422 2        s-trans-Propenoic acid
  311646.5175  0.0415 -5.4106 3  245.5514 49  72503 3032423 2      2422 3        s-trans-Propenoic acid
  311688.3433  0.2651 -5.6229 3  990.7984157  72503 303782652      782553        s-trans-Propenoic acid
  311729.3058  0.0419 -5.6909 3  239.4994 47  72503 3032323 0      2322 1        s-trans-Propenoic acid
  311729.3058  0.0419 -5.6909 3  239.4994 47  72503 3032323 1      2322 2        s-trans-Propenoic acid
  311865.7218  0.0099 -4.2432 3  398.2726 83  72503 303412417      402416        s-trans-Propenoic acid
  311865.7218  0.0099 -4.2432 3  398.2726 83  72503 303412418      402417        s-trans-Propenoic acid
  311867.1044  0.2639 -5.6224 3  990.7916157  72503 303782653      782554        s-trans-Propenoic acid
  311871.1818  0.0060 -6.0136 3  220.9711 65  72503 303321319      321122        s-trans-Propenoic acid
  312009.4986  0.0094 -6.1315 3  194.2147 61  72503 303301119      30 822        s-trans-Propenoic acid
  312045.8263  0.0496 -5.9682 3  433.4943101  72503 303501635      501436        s-trans-Propenoic acid
  312061.3973  0.2284 -6.0485 3 1219.8676181  72503 303902269      902170        s-trans-Propenoic acid
  312111.4296  0.0107 -5.8404 3  251.3948 73  72503 303361224      36 927        s-trans-Propenoic acid
  312137.6302  0.0110 -5.8999 3  243.6824 73  72503 303361026      36 729        s-trans-Propenoic acid
  312197.3466  0.0250 -5.9311 3  364.4117 91  72503 303451531      451332        s-trans-Propenoic acid
  312204.7527  0.0088 -4.2018 3  387.5105 83  72503 303412318      402317        s-trans-Propenoic acid
  312204.7527  0.0088 -4.2018 3  387.5105 83  72503 303412319      402318        s-trans-Propenoic acid
  312234.2360  0.0599 -5.0079 3  600.3107115  72503 303572433      572334        s-trans-Propenoic acid
  312234.2489  0.0599 -5.0079 3  600.3107115  72503 303572434      572335        s-trans-Propenoic acid
  312332.6738  0.0128 -5.6599 3  633.6838133  72503 303661056      661057        s-trans-Propenoic acid
  312332.6756  0.0128 -5.1613 3  633.6838133  72503 303661056      66 957        s-trans-Propenoic acid
  312332.7040  0.0128 -5.1613 3  633.6838133  72503 303661156      661057        s-trans-Propenoic acid
  312332.7059  0.0128 -5.6599 3  633.6838133  72503 303661156      66 957        s-trans-Propenoic acid
  312395.9158  0.0582 -6.0149 3  860.5858153  72503 303761561      761562        s-trans-Propenoic acid
  312397.5669  0.0582 -5.4541 3  860.5857153  72503 303761561      761462        s-trans-Propenoic acid
  312412.8073  0.0583 -5.4541 3  860.5858153  72503 303761661      761562        s-trans-Propenoic acid
  312414.4584  0.0583 -6.0148 3  860.5857153  72503 303761661      761462        s-trans-Propenoic acid
  312467.0414  0.0067 -5.0806 3  488.7419119  72503 30359 653      59 554        s-trans-Propenoic acid
  312467.0414  0.0067 -5.5350 3  488.7419119  72503 30359 653      59 654        s-trans-Propenoic acid
  312467.0415  0.0067 -5.5350 3  488.7419119  72503 30359 753      59 554        s-trans-Propenoic acid
  312467.0415  0.0067 -5.0806 3  488.7419119  72503 30359 753      59 654        s-trans-Propenoic acid
  312468.8064  0.4172 -5.9032 3 1151.2677171  72503 303852759      852660        s-trans-Propenoic acid
  312531.6009  0.1401 -5.3148 3  807.2575139  72503 303692544      692445        s-trans-Propenoic acid
  312538.0880  0.1401 -5.3148 3  807.2573139  72503 303692545      692446        s-trans-Propenoic acid
  312589.6133  0.0077 -4.1627 3  377.2248 83  72503 303412219      402218        s-trans-Propenoic acid
  312589.6133  0.0077 -4.1627 3  377.2248 83  72503 303412220      402219        s-trans-Propenoic acid
  312898.2019  0.2993 -6.1945 3 1301.5085187  72503 303932271      932172        s-trans-Propenoic acid
  313030.4237  0.0067 -4.1257 3  367.4185 83  72503 303412120      402119        s-trans-Propenoic acid
  313030.4237  0.0067 -4.1257 3  367.4185 83  72503 303412121      402120        s-trans-Propenoic acid
  313105.3662  0.0177 -5.7167 3  676.5144137  72503 303681157      681158        s-trans-Propenoic acid
  313105.3744  0.0177 -5.2066 3  676.5144137  72503 303681157      681058        s-trans-Propenoic acid
  313105.4877  0.0177 -5.2066 3  676.5144137  72503 303681257      681158        s-trans-Propenoic acid
  313105.4958  0.0177 -5.7167 3  676.5144137  72503 303681257      681058        s-trans-Propenoic acid
  313163.4375  0.0024 -4.6838 3  156.0808 53  72503 30326 917      25 818        s-trans-Propenoic acid
  313179.6301  0.0020 -3.9050 3  296.6844 81  72503 303401328      391327        s-trans-Propenoic acid
  313205.1466  0.0567 -4.9873 3  585.6649113  72503 303562432      562333        s-trans-Propenoic acid
  313205.1523  0.0567 -4.9873 3  585.6649113  72503 303562433      562334        s-trans-Propenoic acid
  313215.0549  0.0446 -5.9303 3  812.6729149  72503 303741460      741461        s-trans-Propenoic acid
  313215.5342  0.0446 -5.3831 3  812.6729149  72503 303741460      741361        s-trans-Propenoic acid
  313220.4097  0.0446 -5.3831 3  812.6729149  72503 303741560      741461        s-trans-Propenoic acid
  313220.8890  0.0446 -5.9303 3  812.6729149  72503 303741560      741361        s-trans-Propenoic acid
  313358.3537  0.0035 -5.4841 3  136.6596 49  72503 30324 717      23 518        s-trans-Propenoic acid
  313529.9909  0.0245 -5.7810 3  720.6284141  72503 303701258      701259        s-trans-Propenoic acid
  313530.0247  0.0245 -5.2590 3  720.6284141  72503 303701258      701159        s-trans-Propenoic acid
  313530.4466  0.0245 -5.2590 3  720.6284141  72503 303701358      701259        s-trans-Propenoic acid
  313530.4804  0.0245 -5.7810 3  720.6284141  72503 303701358      701159        s-trans-Propenoic acid
  313540.4400  0.0058 -4.0908 3  358.0954 83  72503 303412022      402021        s-trans-Propenoic acid
  313540.4401  0.0058 -4.0908 3  358.0954 83  72503 303412021      402020        s-trans-Propenoic acid
  313578.2006  0.0334 -5.8523 3  766.0174145  72503 303721359      721360        s-trans-Propenoic acid
  313578.3319  0.0334 -5.3180 3  766.0174145  72503 303721359      721260        s-trans-Propenoic acid
  313579.8084  0.0334 -5.3180 3  766.0174145  72503 303721459      721360        s-trans-Propenoic acid
  313579.9398  0.0334 -5.8523 3  766.0174145  72503 303721459      721260        s-trans-Propenoic acid
  313603.1633  0.0061 -5.3205 3  128.2027 47  72503 30323 617      22 518        s-trans-Propenoic acid
  313789.0807  0.1526 -6.0803 3  853.0388147  72503 303732251      722350        s-trans-Propenoic acid
  313804.9765  0.0021 -3.8703 3  286.8916 81  72503 303401130      391129        s-trans-Propenoic acid
  313813.9162  0.0060 -6.0424 3  212.6742 63  72503 303311319      311120        s-trans-Propenoic acid
  313962.0111  0.0057 -5.1260 3  428.5814113  72503 30356 452      56 353        s-trans-Propenoic acid
  313962.0111  0.0057 -5.5598 3  428.5814113  72503 30356 452      56 453        s-trans-Propenoic acid
  313962.0111  0.0057 -5.5598 3  428.5814113  72503 30356 552      56 353        s-trans-Propenoic acid
  313962.0111  0.0057 -5.1260 3  428.5814113  72503 30356 552      56 453        s-trans-Propenoic acid
  314117.8857  0.0539 -4.9678 3  571.2886111  72503 303552431      552332        s-trans-Propenoic acid
  314117.8881  0.0539 -4.9678 3  571.2886111  72503 303552432      552333        s-trans-Propenoic acid
  314123.7775  0.0469 -5.3250 3  451.1601105  72503 303521438      511537        s-trans-Propenoic acid
  314137.4369  0.0049 -4.0577 3  349.2608 83  72503 303411923      401922        s-trans-Propenoic acid
  314137.4375  0.0049 -4.0577 3  349.2608 83  72503 303411922      401921        s-trans-Propenoic acid
  314140.1586  0.1219 -5.7250 3 1032.7192167  72503 303831865      831766        s-trans-Propenoic acid
  314149.5162  0.1131 -5.7064 3  642.7032127  72503 303631845      621944        s-trans-Propenoic acid
  314219.2430  0.0022 -3.9022 3  296.7286 81  72503 303401327      391326        s-trans-Propenoic acid
  314259.3660  0.1308 -5.2831 3  789.3658137  72503 303682543      682444        s-trans-Propenoic acid
  314262.7262  0.1308 -5.2831 3  789.3657137  72503 303682544      682445        s-trans-Propenoic acid
  314274.3362  0.0037 -4.8716 3  152.8035 53  72503 30326 818      25 719        s-trans-Propenoic acid
  314288.0863  0.2478 -5.5827 3  970.4237155  72503 303772651      772552        s-trans-Propenoic acid
  314345.8660  0.1222 -5.7244 3 1032.7201167  72503 303831965      831866        s-trans-Propenoic acid
  314352.8783  0.0036 -3.8137 3  316.9822 99  72503 30349 148      48 147        s-trans-Propenoic acid
  314352.8783  0.0036 -4.2205 3  316.9822 99  72503 30349 148      48 247        s-trans-Propenoic acid
  314352.8783  0.0036 -4.2205 3  316.9822 99  72503 30349 248      48 147        s-trans-Propenoic acid
  314352.8783  0.0036 -3.8137 3  316.9822 99  72503 30349 248      48 247        s-trans-Propenoic acid
  314355.3033  0.0042 -3.8024 3  317.4990101  72503 30350 050      49 049        s-trans-Propenoic acid
  314355.3033  0.0042 -4.1896 3  317.4990101  72503 30350 050      49 149        s-trans-Propenoic acid
  314355.3033  0.0042 -4.1896 3  317.4990101  72503 30350 150      49 049        s-trans-Propenoic acid
  314355.3033  0.0042 -3.8024 3  317.4990101  72503 30350 150      49 149        s-trans-Propenoic acid
  314357.5868  0.0033 -3.8241 3  315.9487 97  72503 30348 246      47 245        s-trans-Propenoic acid
  314357.5868  0.0033 -4.2531 3  315.9487 97  72503 30348 246      47 345        s-trans-Propenoic acid
  314357.5868  0.0033 -4.2531 3  315.9487 97  72503 30348 346      47 245        s-trans-Propenoic acid
  314357.5868  0.0033 -3.8241 3  315.9487 97  72503 30348 346      47 345        s-trans-Propenoic acid
  314367.0070  0.5974 -6.1702 3 1301.1119183  72503 303912864      912765        s-trans-Propenoic acid
  314379.4146  0.0030 -3.8335 3  314.3883 95  72503 30347 344      46 343        s-trans-Propenoic acid
  314379.4146  0.0030 -4.2880 3  314.3883 95  72503 30347 344      46 443        s-trans-Propenoic acid
  314379.4146  0.0030 -4.2880 3  314.3883 95  72503 30347 444      46 343        s-trans-Propenoic acid
  314379.4146  0.0030 -3.8335 3  314.3883 95  72503 30347 444      46 443        s-trans-Propenoic acid
  314389.1907  0.2471 -5.5825 3  970.4199155  72503 303772652      772553        s-trans-Propenoic acid
  314423.3680  0.0091 -4.3268 3  129.8135 31  72503 3031515 0      1414 1        s-trans-Propenoic acid
  314423.3680  0.0091 -4.3268 3  129.8135 31  72503 3031515 1      1414 0        s-trans-Propenoic acid
  314434.3808  0.0028 -4.3260 3  312.2871 93  72503 30346 442      45 541        s-trans-Propenoic acid
  314434.3812  0.0028 -3.8419 3  312.2871 93  72503 30346 542      45 541        s-trans-Propenoic acid
  314434.3816  0.0028 -3.8419 3  312.2871 93  72503 30346 442      45 441        s-trans-Propenoic acid
  314434.3820  0.0028 -4.3260 3  312.2871 93  72503 30346 542      45 441        s-trans-Propenoic acid
  314462.8264  0.0076 -5.0882 3  526.9845123  72503 30361 754      61 655        s-trans-Propenoic acid
  314462.8264  0.0076 -5.5527 3  526.9845123  72503 30361 754      61 755        s-trans-Propenoic acid
  314462.8265  0.0076 -5.5527 3  526.9845123  72503 30361 854      61 655        s-trans-Propenoic acid
  314462.8265  0.0076 -5.0882 3  526.9845123  72503 30361 854      61 755        s-trans-Propenoic acid
  314470.7477  0.0073 -5.3046 3  371.4842107  72503 30353 251      53 152        s-trans-Propenoic acid
  314470.7477  0.0073 -5.7192 3  371.4842107  72503 30353 251      53 252        s-trans-Propenoic acid
  314470.7477  0.0073 -5.7192 3  371.4842107  72503 30353 351      53 152        s-trans-Propenoic acid
  314470.7477  0.0073 -5.3046 3  371.4842107  72503 30353 351      53 252        s-trans-Propenoic acid
  314471.9063  0.0059 -6.0408 3  212.6524 63  72503 303311318      311121        s-trans-Propenoic acid
  314530.6506  0.0023 -3.8532 3  281.8544 81  72503 30340 931      39 930        s-trans-Propenoic acid
  314549.2371  0.0025 -4.3683 3  309.6262 91  72503 30345 540      44 639        s-trans-Propenoic acid
  314549.2587  0.0025 -3.8491 3  309.6262 91  72503 30345 640      44 639        s-trans-Propenoic acid
  314549.2806  0.0025 -3.8491 3  309.6262 91  72503 30345 540      44 539        s-trans-Propenoic acid
  314549.3022  0.0025 -4.3683 3  309.6262 91  72503 30345 640      44 539        s-trans-Propenoic acid
  314560.0194  0.0021 -3.8833 3  291.5680 81  72503 303401229      391228        s-trans-Propenoic acid
  314770.4797  0.0023 -4.4169 3  306.3784 89  72503 30344 638      43 737        s-trans-Propenoic acid
  314771.3183  0.0023 -3.8548 3  306.3784 89  72503 30344 738      43 737        s-trans-Propenoic acid
  314772.0978  0.0023 -3.8548 3  306.3784 89  72503 30344 638      43 637        s-trans-Propenoic acid
  314772.9363  0.0023 -4.4169 3  306.3784 89  72503 30344 738      43 637        s-trans-Propenoic acid
  314845.9537  0.0041 -4.0264 3  340.9212 83  72503 303411824      401823        s-trans-Propenoic acid
  314845.9656  0.0041 -4.0264 3  340.9212 83  72503 303411823      401822        s-trans-Propenoic acid
  314975.7829  0.0515 -4.9493 3  557.1810109  72503 303542430      542331        s-trans-Propenoic acid
  314975.7840  0.0515 -4.9493 3  557.1810109  72503 303542431      542332        s-trans-Propenoic acid
  314977.7089  0.3995 -5.8587 3 1128.9788169  72503 303842757      842658        s-trans-Propenoic acid
  315068.7056  0.1030 -6.1179 3  791.3932143  72503 303711953      702050        s-trans-Propenoic acid
  315090.8858  0.1905 -5.9457 3 1163.3305177  72503 303882068      881969        s-trans-Propenoic acid
  315144.6104  0.0039 -5.9310 3  109.6129 41  72503 30320 615      19 416        s-trans-Propenoic acid
  315161.9995  0.0022 -4.4752 3  302.5024 87  72503 30343 736      42 835        s-trans-Propenoic acid
  315185.3810  0.0022 -3.8587 3  302.5024 87  72503 30343 836      42 835        s-trans-Propenoic acid
  315204.9471  0.0022 -3.8587 3  302.5010 87  72503 30343 736      42 735        s-trans-Propenoic acid
  315228.3287  0.0022 -4.4750 3  302.5010 87  72503 30343 836      42 735        s-trans-Propenoic acid
  315263.0642  0.0107 -5.9255 3  291.8617 79  72503 303391426      391227        s-trans-Propenoic acid
  315413.8562  0.0022 -4.5522 3  297.9380 85  72503 30342 834      41 933        s-trans-Propenoic acid
  315498.3022  0.0535 -5.9659 3  754.1512139  72503 303691951      682048        s-trans-Propenoic acid
  315643.2570  0.3925 -5.8569 3 1128.9530169  72503 303842758      842659        s-trans-Propenoic acid
  315663.8830  0.0066 -4.3624 3  131.4006 35  72503 3031714 3      1613 4        s-trans-Propenoic acid
  315663.8830  0.0066 -4.3624 3  131.4006 35  72503 3031714 4      1613 3        s-trans-Propenoic acid
  315701.1287  0.0033 -3.9967 3  333.0858 83  72503 303411725      401724        s-trans-Propenoic acid
  315701.3185  0.0033 -3.9967 3  333.0858 83  72503 303411724      401723        s-trans-Propenoic acid
  315738.3290  0.0105 -5.6858 3  303.0062 83  72503 303411229      41 932        s-trans-Propenoic acid
  315754.5369  0.5995 -6.1250 3 1277.2211181  72503 303902862      902763        s-trans-Propenoic acid
  315781.9231  0.0494 -4.9319 3  543.3414107  72503 303532429      532330        s-trans-Propenoic acid
  315781.9235  0.0494 -4.9319 3  543.3414107  72503 303532430      532331        s-trans-Propenoic acid
  315844.6361  0.2820 -6.1867 3 1301.5271187  72503 303932371      932272        s-trans-Propenoic acid
  315872.9971  0.0021 -3.8603 3  297.9380 85  72503 30342 934      41 933        s-trans-Propenoic acid
  315879.4222  0.0114 -5.8961 3  335.1310 87  72503 303431429      431232        s-trans-Propenoic acid
  315882.5868  0.1221 -5.2525 3  771.7531135  72503 303672542      672443        s-trans-Propenoic acid
  315884.3009  0.1221 -5.2525 3  771.7531135  72503 303672543      672444        s-trans-Propenoic acid
  315917.7356  0.1895 -5.9435 3 1163.3350177  72503 303882168      882069        s-trans-Propenoic acid
  316192.5698  0.0088 -5.5829 3  566.5418127  72503 30363 855      63 856        s-trans-Propenoic acid
  316192.5699  0.0088 -5.1081 3  566.5418127  72503 30363 855      63 756        s-trans-Propenoic acid
  316192.5706  0.0088 -5.5829 3  566.5418127  72503 30363 955      63 756        s-trans-Propenoic acid
  316192.5706  0.0088 -5.1081 3  566.5418127  72503 30363 955      63 856        s-trans-Propenoic acid
  316205.2162  0.0021 -3.8593 3  297.9116 85  72503 30342 834      41 833        s-trans-Propenoic acid
  316274.1083  0.0039 -6.0938 3  101.0706 35  72503 30317 8 9      16 610        s-trans-Propenoic acid
  316283.3770  0.0021 -3.8611 3  292.6528 83  72503 303411032      401031        s-trans-Propenoic acid
  316474.8362  0.0065 -5.0984 3  464.7954117  72503 30358 553      58 454        s-trans-Propenoic acid
  316474.8362  0.0065 -5.5418 3  464.7954117  72503 30358 553      58 554        s-trans-Propenoic acid
  316474.8362  0.0065 -5.5418 3  464.7954117  72503 30358 653      58 454        s-trans-Propenoic acid
  316474.8362  0.0065 -5.0984 3  464.7954117  72503 30358 653      58 554        s-trans-Propenoic acid
  316490.5583  0.0981 -6.2208 3  980.4547163  72503 303811764      811765        s-trans-Propenoic acid
  316500.0785  0.0981 -5.6361 3  980.4544163  72503 303811764      811665        s-trans-Propenoic acid
  316513.7899  0.0059 -6.0724 3  204.6222 61  72503 303301318      301119        s-trans-Propenoic acid
  316539.1725  0.0476 -4.9155 3  529.7689105  72503 303522428      522329        s-trans-Propenoic acid
  316539.1727  0.0476 -4.9155 3  529.7689105  72503 303522429      522330        s-trans-Propenoic acid
  316575.2735  0.0983 -5.6359 3  980.4547163  72503 303811864      811765        s-trans-Propenoic acid
  316584.7938  0.0983 -6.2206 3  980.4544163  72503 303811864      811665        s-trans-Propenoic acid
  316640.3512  0.0108 -5.8933 3  323.8487 85  72503 303421428      421231        s-trans-Propenoic acid
  316651.4747  0.0391 -5.9165 3  663.0912 85  72503 3034241 1      4141 0        s-trans-Propenoic acid
  316651.4747  0.0391 -5.9165 3  663.0912 85  72503 3034241 2      4141 1        s-trans-Propenoic acid
  316664.3571  0.0021 -4.5485 3  297.9116 85  72503 30342 934      41 833        s-trans-Propenoic acid
  316698.9045  0.0056 -5.6745 3  128.0994 47  72503 30323 617      22 418        s-trans-Propenoic acid
  316702.6378  0.2317 -5.5438 3  950.3383153  72503 303762650      762551        s-trans-Propenoic acid
  316704.8005  0.0118 -5.9042 3  346.6616 89  72503 303441430      441233        s-trans-Propenoic acid
  316753.1915  0.0370 -5.5815 3  644.4136 85  72503 3034240 2      4140 1        s-trans-Propenoic acid
  316753.1915  0.0370 -5.5815 3  644.4136 85  72503 3034240 3      4140 2        s-trans-Propenoic acid
  316754.3282  0.0038 -5.6000 3  109.5592 41  72503 30320 615      19 316        s-trans-Propenoic acid
  316755.1937  0.0027 -3.9684 3  325.7674 83  72503 303411626      401625        s-trans-Propenoic acid
  316757.7532  0.0027 -3.9684 3  325.7675 83  72503 303411625      401624        s-trans-Propenoic acid
  316758.9958  0.2314 -5.5437 3  950.3362153  72503 303762651      762552        s-trans-Propenoic acid
  316848.6988  0.0059 -6.0716 3  204.6111 61  72503 303301317      301120        s-trans-Propenoic acid
  316850.8602  0.0047 -4.3997 3  134.4954 39  72503 3031913 6      1812 7        s-trans-Propenoic acid
  316850.8602  0.0047 -4.3997 3  134.4954 39  72503 3031913 7      1812 6        s-trans-Propenoic acid
  316859.0931  0.0350 -5.3725 3  626.1977 85  72503 3034239 3      4139 2        s-trans-Propenoic acid
  316859.0931  0.0350 -5.3725 3  626.1977 85  72503 3034239 4      4139 3        s-trans-Propenoic acid
  316969.7272  0.0330 -5.2157 3  608.4439 85  72503 3034238 4      4138 3        s-trans-Propenoic acid
  316969.7272  0.0330 -5.2157 3  608.4439 85  72503 3034238 5      4138 4        s-trans-Propenoic acid
  317044.0225  0.0054 -5.7387 3  106.5657 41  72503 30320 416      19 317        s-trans-Propenoic acid
  317085.7177  0.0311 -5.0879 3  591.1525 85  72503 3034237 5      4137 4        s-trans-Propenoic acid
  317085.7177  0.0311 -5.0879 3  591.1525 85  72503 3034237 6      4137 5        s-trans-Propenoic acid
  317154.5344  0.0673 -6.0302 3  772.5888141  72503 303701952      692049        s-trans-Propenoic acid
  317157.1865  0.0053 -6.1177 3  106.5619 41  72503 30320 416      19 217        s-trans-Propenoic acid
  317207.7780  0.0292 -4.9789 3  574.3239 85  72503 3034236 6      4136 5        s-trans-Propenoic acid
  317207.7780  0.0292 -4.9789 3  574.3239 85  72503 3034236 7      4136 6        s-trans-Propenoic acid
  317250.2029  0.0461 -4.9002 3  516.4630103  72503 303512427      512328        s-trans-Propenoic acid
  317250.2029  0.0461 -4.9002 3  516.4630103  72503 303512428      512329        s-trans-Propenoic acid
  317265.6396  0.0033 -3.8498 3  277.5406 79  72503 303391128      381127        s-trans-Propenoic acid
  317336.7271  0.0274 -4.8831 3  557.9584 85  72503 3034235 7      4135 6        s-trans-Propenoic acid
  317336.7271  0.0274 -4.8831 3  557.9584 85  72503 3034235 8      4135 7        s-trans-Propenoic acid
  317409.0643  0.1141 -5.2228 3  754.4182133  72503 303662541      662442        s-trans-Propenoic acid
  317409.9252  0.1141 -5.2228 3  754.4182133  72503 303662542      662443        s-trans-Propenoic acid
  317444.0516  0.0062 -5.1927 3  405.6407111  72503 30355 352      55 253        s-trans-Propenoic acid
  317444.0516  0.0062 -5.6165 3  405.6407111  72503 30355 352      55 353        s-trans-Propenoic acid
  317444.0516  0.0062 -5.6165 3  405.6407111  72503 30355 452      55 253        s-trans-Propenoic acid
  317444.0516  0.0062 -5.1927 3  405.6407111  72503 30355 452      55 353        s-trans-Propenoic acid
  317473.4963  0.0825 -5.9561 3  779.9044141  72503 303702051      692148        s-trans-Propenoic acid
  317473.5090  0.0257 -4.7973 3  542.0565 85  72503 3034234 8      4134 7        s-trans-Propenoic acid
  317473.5090  0.0257 -4.7973 3  542.0565 85  72503 3034234 9      4134 8        s-trans-Propenoic acid
  317499.0457  0.0102 -5.5504 3  349.5785105  72503 30352 151      52 052        s-trans-Propenoic acid
  317499.0457  0.0102 -5.9557 3  349.5785105  72503 30352 151      52 152        s-trans-Propenoic acid
  317499.0457  0.0102 -5.9557 3  349.5785105  72503 30352 251      52 052        s-trans-Propenoic acid
  317499.0457  0.0102 -5.5504 3  349.5785105  72503 30352 251      52 152        s-trans-Propenoic acid
  317619.2173  0.0240 -4.7194 3  526.6186 85  72503 3034233 9      4133 8        s-trans-Propenoic acid
  317619.2173  0.0240 -4.7194 3  526.6186 85  72503 303423310      4133 9        s-trans-Propenoic acid
  317642.8020  0.0107 -5.6235 3  607.4067131  72503 30365 956      65 957        s-trans-Propenoic acid
  317642.8021  0.0107 -5.1381 3  607.4067131  72503 30365 956      65 857        s-trans-Propenoic acid
  317642.8055  0.0107 -5.1381 3  607.4067131  72503 303651056      65 957        s-trans-Propenoic acid
  317642.8057  0.0107 -5.6235 3  607.4067131  72503 303651056      65 857        s-trans-Propenoic acid
  317666.3044  0.1378 -6.0884 3  576.7484119  72503 303591842      591643        s-trans-Propenoic acid
  317679.1070  0.0024 -4.5706 3  153.2504 51  72503 303251016      24 915        s-trans-Propenoic acid
  317775.1241  0.0223 -4.6479 3  511.6452 85  72503 303423210      4132 9        s-trans-Propenoic acid
  317775.1241  0.0223 -4.6479 3  511.6452 85  72503 303423211      413210        s-trans-Propenoic acid
  317878.1361  0.0033 -4.4422 3  139.1258 43  72503 303211210      2011 9        s-trans-Propenoic acid
  317878.1793  0.0033 -4.4422 3  139.1258 43  72503 3032112 9      201110        s-trans-Propenoic acid
  317917.5111  0.0450 -4.8860 3  503.4230101  72503 303502426      502327        s-trans-Propenoic acid
  317917.5111  0.0450 -4.8860 3  503.4230101  72503 303502427      502328        s-trans-Propenoic acid
  317942.7179  0.0207 -4.5817 3  497.1370 85  72503 303423111      413110        s-trans-Propenoic acid
  317942.7179  0.0207 -4.5817 3  497.1370 85  72503 303423112      413111        s-trans-Propenoic acid
  317970.4578  0.5664 -6.1190 3 1277.1334181  72503 303902863      902764        s-trans-Propenoic acid
  318084.3628  0.0023 -3.9413 3  318.9846 83  72503 303411527      401526        s-trans-Propenoic acid
  318112.9153  0.0023 -3.9412 3  318.9855 83  72503 303411526      401525        s-trans-Propenoic acid
  318123.7497  0.0191 -4.5202 3  483.0946 85  72503 303423012      413011        s-trans-Propenoic acid
  318123.7497  0.0191 -4.5202 3  483.0946 85  72503 303423013      413012        s-trans-Propenoic acid
  318205.8782  0.0780 -6.1230 3  929.4186159  72503 303791663      791664        s-trans-Propenoic acid
  318208.8958  0.0780 -5.5528 3  929.4185159  72503 303791663      791564        s-trans-Propenoic acid
  318235.0664  0.0781 -5.5528 3  929.4186159  72503 303791763      791664        s-trans-Propenoic acid
  318238.0840  0.0781 -6.1229 3  929.4185159  72503 303791763      791564        s-trans-Propenoic acid
  318260.2500  0.3728 -5.8129 3 1106.9482167  72503 303832756      832657        s-trans-Propenoic acid
  318292.2695  0.0038 -6.0908 3  101.0025 35  72503 30317 810      16 611        s-trans-Propenoic acid
  318320.2925  0.0176 -4.4627 3  469.5187 85  72503 303422913      412912        s-trans-Propenoic acid
  318320.2925  0.0176 -4.4627 3  469.5187 85  72503 303422914      412913        s-trans-Propenoic acid
  318321.3410  0.0024 -4.5692 3  153.2323 51  72503 303251015      24 916        s-trans-Propenoic acid
  318488.2011  0.0025 -4.4950 3  145.3417 47  72503 303231113      221012        s-trans-Propenoic acid
  318496.8342  0.0025 -4.4950 3  145.3414 47  72503 303231112      221013        s-trans-Propenoic acid
  318527.1467  0.0102 -5.8946 3  312.8229 83  72503 303411427      411230        s-trans-Propenoic acid
  318534.8170  0.0161 -4.4088 3  456.4103 85  72503 303422814      412813        s-trans-Propenoic acid
  318534.8170  0.0161 -4.4088 3  456.4103 85  72503 303422815      412814        s-trans-Propenoic acid
  318543.4366  0.0440 -4.8729 3  490.6481 99  72503 303492425      492326        s-trans-Propenoic acid
  318543.4366  0.0440 -4.8729 3  490.6481 99  72503 303492426      492327        s-trans-Propenoic acid
  318652.2921  0.3689 -5.8119 3 1106.9331167  72503 303832757      832658        s-trans-Propenoic acid
  318749.1881  0.0075 -5.0918 3  502.3388121  72503 30360 654      60 555        s-trans-Propenoic acid
  318749.1881  0.0075 -5.5449 3  502.3388121  72503 30360 654      60 655        s-trans-Propenoic acid
  318749.1881  0.0075 -5.5449 3  502.3388121  72503 30360 754      60 555        s-trans-Propenoic acid
  318749.1881  0.0075 -5.0918 3  502.3388121  72503 30360 754      60 655        s-trans-Propenoic acid
  318770.2903  0.0147 -4.3581 3  443.7704 85  72503 303422715      412714        s-trans-Propenoic acid
  318770.2903  0.0147 -4.3581 3  443.7704 85  72503 303422716      412715        s-trans-Propenoic acid
  318776.0773  0.0025 -3.8337 3  274.5808 79  72503 303391029      381028        s-trans-Propenoic acid
  318797.8719  0.0140 -5.6731 3  649.5715135  72503 303671057      671058        s-trans-Propenoic acid
  318797.8728  0.0140 -5.1769 3  649.5715135  72503 303671057      67 958        s-trans-Propenoic acid
  318797.8876  0.0140 -5.1769 3  649.5715135  72503 303671157      671058        s-trans-Propenoic acid
  318797.8886  0.0140 -5.6731 3  649.5715135  72503 303671157      67 958        s-trans-Propenoic acid
  318813.7142  0.2397 -6.0794 3 1243.1500183  72503 303912170      912071        s-trans-Propenoic acid
  318829.5395  0.0060 -6.1063 3  196.8515 59  72503 303291317      291118        s-trans-Propenoic acid
  318838.4909  0.1556 -5.8445 3 1107.9973173  72503 303861967      861868        s-trans-Propenoic acid
  318845.6431  0.1067 -5.1942 3  737.3598131  72503 303652540      652441        s-trans-Propenoic acid
  318846.0688  0.1067 -5.1942 3  737.3598131  72503 303652541      652442        s-trans-Propenoic acid
  318937.5136  0.0029 -4.6474 3  303.2029 85  72503 30342 933      411032        s-trans-Propenoic acid
  318952.0849  0.0103 -6.2263 3  192.0258 63  72503 30331 823      31 526        s-trans-Propenoic acid
  318954.5809  0.2168 -5.5060 3  930.5401151  72503 303752649      752550        s-trans-Propenoic acid
  318985.5465  0.2166 -5.5059 3  930.5389151  72503 303752650      752551        s-trans-Propenoic acid
  318994.1167  0.0059 -6.1059 3  196.8460 59  72503 303291316      291119        s-trans-Propenoic acid
  319030.3051  0.0134 -4.3104 3  431.6002 85  72503 303422616      412615        s-trans-Propenoic acid
  319030.3051  0.0134 -4.3104 3  431.6002 85  72503 303422617      412616        s-trans-Propenoic acid
  319076.3776  0.0125 -6.1977 3  277.4802 79  72503 303391128      39 931        s-trans-Propenoic acid
  319103.2161  0.1531 -5.9821 3  806.6044143  72503 303712150      702249        s-trans-Propenoic acid
  319130.1767  0.0433 -4.8611 3  478.1377 97  72503 303482424      482325        s-trans-Propenoic acid
  319130.1767  0.0433 -4.8611 3  478.1377 97  72503 303482425      482326        s-trans-Propenoic acid
  319164.8340  0.1559 -5.8436 3 1107.9989173  72503 303862067      861968        s-trans-Propenoic acid
  319213.6816  0.0035 -5.8569 3  112.3385 41  72503 30320 714      19 515        s-trans-Propenoic acid
  319319.2534  0.0121 -4.2653 3  419.9013 85  72503 303422517      412516        s-trans-Propenoic acid
  319319.2534  0.0121 -4.2653 3  419.9013 85  72503 303422518      412517        s-trans-Propenoic acid
  319337.3958  0.0223 -5.0702 3  375.6383 95  72503 303471235      461334        s-trans-Propenoic acid
  319366.7940  0.0610 -6.0316 3  879.6225155  72503 303771562      771563        s-trans-Propenoic acid
  319367.7031  0.0610 -5.4752 3  879.6224155  72503 303771562      771463        s-trans-Propenoic acid
  319376.3662  0.0611 -5.4752 3  879.6225155  72503 303771662      771563        s-trans-Propenoic acid
  319377.2753  0.0611 -6.0315 3  879.6224155  72503 303771662      771463        s-trans-Propenoic acid
  319539.3908  0.0050 -6.0113 3   98.9005 39  72503 30319 316      18 217        s-trans-Propenoic acid
  319583.8802  0.0023 -3.8508 3  292.3460 83  72503 30341 932      40 931        s-trans-Propenoic acid
  319639.4693  0.0190 -5.7308 3  693.0289139  72503 303691158      691159        s-trans-Propenoic acid
  319639.4736  0.0190 -5.2234 3  693.0289139  72503 303691158      691059        s-trans-Propenoic acid
  319639.5336  0.0190 -5.2234 3  693.0289139  72503 303691258      691159        s-trans-Propenoic acid
  319639.5378  0.0190 -5.7308 3  693.0289139  72503 303691258      691059        s-trans-Propenoic acid
  319642.5607  0.0108 -4.2228 3  408.6753 85  72503 303422418      412417        s-trans-Propenoic acid
  319642.5607  0.0108 -4.2228 3  408.6753 85  72503 303422419      412418        s-trans-Propenoic acid
  319650.8828  0.0123 -5.9193 3  358.4322 91  72503 303451431      451234        s-trans-Propenoic acid
  319679.7999  0.0428 -4.8504 3  465.8913 95  72503 303472423      472324        s-trans-Propenoic acid
  319679.7999  0.0428 -4.8504 3  465.8913 95  72503 303472424      472325        s-trans-Propenoic acid
  319760.7504  0.0021 -3.9152 3  312.7636 83  72503 303411428      401427        s-trans-Propenoic acid
  319791.5692  0.0032 -3.8689 3  291.8617 81  72503 303401228      391227        s-trans-Propenoic acid
  320007.0117  0.0096 -4.1826 3  397.9246 85  72503 303422319      412318        s-trans-Propenoic acid
  320007.0117  0.0096 -4.1826 3  397.9246 85  72503 303422320      412319        s-trans-Propenoic acid
  320016.5835  0.0022 -3.9146 3  312.7732 83  72503 303411427      401426        s-trans-Propenoic acid
  320044.9480  0.0469 -5.9465 3  831.0763151  72503 303751461      751462        s-trans-Propenoic acid
  320045.2077  0.0469 -5.4032 3  831.0763151  72503 303751461      751362        s-trans-Propenoic acid
  320047.9301  0.0469 -5.4032 3  831.0763151  72503 303751561      751462        s-trans-Propenoic acid
  320048.1898  0.0469 -5.9465 3  831.0763151  72503 303751561      751362        s-trans-Propenoic acid
  320069.9616  0.2364 -6.0761 3 1243.1572183  72503 303912270      912171        s-trans-Propenoic acid
  320095.2149  0.5547 -6.0725 3 1253.5063179  72503 303892861      892762        s-trans-Propenoic acid
  320145.9838  0.0260 -5.7959 3  737.7709143  72503 303711259      711260        s-trans-Propenoic acid
  320146.0015  0.0260 -5.2770 3  737.7709143  72503 303711259      711160        s-trans-Propenoic acid
  320146.2291  0.0260 -5.2770 3  737.7709143  72503 303711359      711260        s-trans-Propenoic acid
  320146.2468  0.0260 -5.7959 3  737.7709143  72503 303711359      711160        s-trans-Propenoic acid
  320157.1273  0.1103 -6.0189 3  825.2825145  72503 303722152      712249        s-trans-Propenoic acid
  320194.2574  0.0424 -4.8410 3  453.9083 93  72503 303462422      462323        s-trans-Propenoic acid
  320194.2574  0.0424 -4.8410 3  453.9083 93  72503 303462423      462324        s-trans-Propenoic acid
  320198.4017  0.0998 -5.1665 3  720.5769129  72503 303642539      642440        s-trans-Propenoic acid
  320198.6088  0.0998 -5.1665 3  720.5769129  72503 303642540      642441        s-trans-Propenoic acid
  320199.3038  0.0063 -5.1352 3  441.1405115  72503 30357 453      57 354        s-trans-Propenoic acid
  320199.3038  0.0063 -5.5682 3  441.1405115  72503 30357 453      57 454        s-trans-Propenoic acid
  320199.3038  0.0063 -5.5682 3  441.1405115  72503 30357 553      57 354        s-trans-Propenoic acid
  320199.3038  0.0063 -5.1352 3  441.1405115  72503 30357 553      57 454        s-trans-Propenoic acid
  320291.6032  0.0353 -5.8679 3  783.7895147  72503 303731360      731361        s-trans-Propenoic acid
  320291.6732  0.0353 -5.3370 3  783.7895147  72503 303731360      731261        s-trans-Propenoic acid
  320292.4834  0.0353 -5.3370 3  783.7895147  72503 303731460      731361        s-trans-Propenoic acid
  320292.5534  0.0353 -5.8679 3  783.7895147  72503 303731460      731261        s-trans-Propenoic acid
  320301.0654  0.1571 -6.1862 3  920.5562153  72503 303762354      752451        s-trans-Propenoic acid
  320411.0376  0.0648 -5.4088 3  499.0788111  72503 303551540      541639        s-trans-Propenoic acid
  320421.2121  0.0084 -4.1445 3  387.6517 85  72503 303422220      412219        s-trans-Propenoic acid
  320421.2121  0.0084 -4.1445 3  387.6517 85  72503 303422221      412220        s-trans-Propenoic acid
  320569.9454  0.0040 -3.8099 3  327.4678101  72503 30350 149      49 148        s-trans-Propenoic acid
  320569.9454  0.0040 -4.2161 3  327.4678101  72503 30350 149      49 248        s-trans-Propenoic acid
  320569.9454  0.0040 -4.2161 3  327.4678101  72503 30350 249      49 148        s-trans-Propenoic acid
  320569.9454  0.0040 -3.8099 3  327.4678101  72503 30350 249      49 248        s-trans-Propenoic acid
  320572.5161  0.0047 -3.7989 3  327.9848103  72503 30351 051      50 050        s-trans-Propenoic acid
  320572.5161  0.0047 -4.1859 3  327.9848103  72503 30351 051      50 150        s-trans-Propenoic acid
  320572.5161  0.0047 -4.1859 3  327.9848103  72503 30351 151      50 050        s-trans-Propenoic acid
  320572.5161  0.0047 -3.7989 3  327.9848103  72503 30351 151      50 150        s-trans-Propenoic acid
  320574.0577  0.0036 -3.8200 3  326.4345 99  72503 30349 247      48 246        s-trans-Propenoic acid
  320574.0577  0.0036 -4.2479 3  326.4345 99  72503 30349 247      48 346        s-trans-Propenoic acid
  320574.0577  0.0036 -4.2479 3  326.4345 99  72503 30349 347      48 246        s-trans-Propenoic acid
  320574.0577  0.0036 -3.8200 3  326.4345 99  72503 30349 347      48 346        s-trans-Propenoic acid
  320594.2743  0.0033 -3.8292 3  324.8748 97  72503 30348 345      47 344        s-trans-Propenoic acid
  320594.2743  0.0033 -4.2818 3  324.8748 97  72503 30348 345      47 444        s-trans-Propenoic acid
  320594.2743  0.0033 -4.2818 3  324.8748 97  72503 30348 445      47 344        s-trans-Propenoic acid
  320594.2743  0.0033 -3.8292 3  324.8748 97  72503 30348 445      47 444        s-trans-Propenoic acid
  320645.5366  0.0030 -4.3186 3  322.7755 95  72503 30347 443      46 542        s-trans-Propenoic acid
  320645.5368  0.0030 -3.8373 3  322.7755 95  72503 30347 543      46 542        s-trans-Propenoic acid
  320645.5370  0.0030 -3.8373 3  322.7755 95  72503 30347 443      46 442        s-trans-Propenoic acid
  320645.5372  0.0030 -4.3186 3  322.7755 95  72503 30347 543      46 442        s-trans-Propenoic acid
  320675.3935  0.0422 -4.8329 3  442.1881 91  72503 303452421      452322        s-trans-Propenoic acid
  320675.3935  0.0422 -4.8329 3  442.1881 91  72503 303452422      452323        s-trans-Propenoic acid
  320687.1476  0.0079 -5.3117 3  383.0066109  72503 30354 252      54 153        s-trans-Propenoic acid
  320687.1476  0.0079 -5.7260 3  383.0066109  72503 30354 252      54 253        s-trans-Propenoic acid
  320687.1476  0.0079 -5.7260 3  383.0066109  72503 30354 352      54 153        s-trans-Propenoic acid
  320687.1476  0.0079 -5.3117 3  383.0066109  72503 30354 352      54 253        s-trans-Propenoic acid
  320708.2970  0.1350 -6.0978 3  872.1723149  72503 303742253      732350        s-trans-Propenoic acid
  320752.4579  0.0027 -4.3594 3  320.1185 93  72503 30346 541      45 640        s-trans-Propenoic acid
  320752.4686  0.0027 -3.8443 3  320.1185 93  72503 30346 641      45 640        s-trans-Propenoic acid
  320752.4796  0.0027 -3.8443 3  320.1185 93  72503 30346 541      45 540        s-trans-Propenoic acid
  320752.4903  0.0027 -4.3594 3  320.1185 93  72503 30346 641      45 540        s-trans-Propenoic acid
  320775.5032  0.0085 -5.1007 3  541.2046125  72503 30362 755      62 656        s-trans-Propenoic acid
  320775.5032  0.0085 -5.5637 3  541.2046125  72503 30362 755      62 756        s-trans-Propenoic acid
  320775.5032  0.0085 -5.5637 3  541.2046125  72503 30362 855      62 656        s-trans-Propenoic acid
  320775.5032  0.0085 -5.1007 3  541.2046125  72503 30362 855      62 756        s-trans-Propenoic acid
  320784.0037  0.0056 -5.1110 3  143.2037 51  72503 30325 718      24 619        s-trans-Propenoic acid
  320806.1132  0.1355 -5.7905 3  700.8046133  72503 303661947      652046        s-trans-Propenoic acid
  320835.8929  0.0060 -6.1444 3  189.3582 57  72503 303281316      281117        s-trans-Propenoic acid
  320896.2605  0.0073 -4.1085 3  377.8600 85  72503 303422121      412120        s-trans-Propenoic acid
  320896.2605  0.0073 -4.1085 3  377.8600 85  72503 303422122      412121        s-trans-Propenoic acid
  320913.8849  0.0060 -6.1442 3  189.3556 57  72503 303281315      281118        s-trans-Propenoic acid
  320957.4312  0.0025 -4.4059 3  316.8780 91  72503 30345 639      44 738        s-trans-Propenoic acid
  320957.8631  0.0025 -3.8498 3  316.8780 91  72503 30345 739      44 738        s-trans-Propenoic acid
  320958.2697  0.0025 -3.8498 3  316.8780 91  72503 30345 639      44 638        s-trans-Propenoic acid
  320958.7016  0.0025 -4.4059 3  316.8780 91  72503 30345 739      44 638        s-trans-Propenoic acid
  321058.4449  0.0022 -3.8606 3  297.3590 83  72503 303411131      401130        s-trans-Propenoic acid
  321061.4755  0.2029 -5.4693 3  911.0269149  72503 303742648      742549        s-trans-Propenoic acid
  321065.8859  0.0066 -4.7762 3  319.0116 87  72503 303431033      421132        s-trans-Propenoic acid
  321078.2469  0.2028 -5.4693 3  911.0263149  72503 303742649      742550        s-trans-Propenoic acid
  321124.9545  0.0421 -4.8262 3  430.7301 89  72503 303442420      442321        s-trans-Propenoic acid
  321124.9545  0.0421 -4.8262 3  430.7301 89  72503 303442421      442322        s-trans-Propenoic acid
  321136.3551  0.0040 -6.0159 3  105.5229 37  72503 30318 810      17 611        s-trans-Propenoic acid
  321155.5395  0.0096 -5.8992 3  302.0606 81  72503 303401426      401229        s-trans-Propenoic acid
  321157.8760  0.0048 -6.0085 3   98.9002 39  72503 30319 416      18 117        s-trans-Propenoic acid
  321265.9176  0.3486 -5.7686 3 1085.2149165  72503 303822755      822656        s-trans-Propenoic acid
  321322.9776  0.0120 -5.8029 3  277.4053 79  72503 303391128      39 831        s-trans-Propenoic acid
  321326.3010  0.0023 -4.4611 3  313.0159 89  72503 30344 737      43 836        s-trans-Propenoic acid
  321338.9217  0.0023 -3.8536 3  313.0159 89  72503 30344 837      43 836        s-trans-Propenoic acid
  321349.6825  0.0023 -3.8536 3  313.0151 89  72503 30344 737      43 736        s-trans-Propenoic acid
  321362.3032  0.0023 -4.4610 3  313.0151 89  72503 30344 837      43 736        s-trans-Propenoic acid
  321446.7626  0.0063 -4.0744 3  368.5540 85  72503 303422023      412022        s-trans-Propenoic acid
  321446.7627  0.0063 -4.0744 3  368.5540 85  72503 303422022      412021        s-trans-Propenoic acid
  321454.7125  0.5354 -6.0689 3 1253.4529179  72503 303892862      892763        s-trans-Propenoic acid
  321472.7896  0.0935 -5.1398 3  704.0683127  72503 303632538      632439        s-trans-Propenoic acid
  321472.8888  0.0935 -5.1398 3  704.0683127  72503 303632539      632440        s-trans-Propenoic acid
  321484.1000  0.0126 -6.0086 3  341.5708 89  72503 303441331      441134        s-trans-Propenoic acid
  321493.4922  0.3466 -5.7680 3 1085.2062165  72503 303822756      822657        s-trans-Propenoic acid
  321544.5971  0.0421 -4.8210 3  419.5339 87  72503 303432419      432320        s-trans-Propenoic acid
  321544.5971  0.0421 -4.8210 3  419.5339 87  72503 303432420      432321        s-trans-Propenoic acid
  321619.0176  0.0022 -3.8907 3  307.1310 83  72503 303411329      401328        s-trans-Propenoic acid
  321663.6359  0.1267 -5.7493 3 1053.8715169  72503 303841866      841767        s-trans-Propenoic acid
  321733.0490  0.0023 -4.5321 3  308.4744 87  72503 30343 835      42 934        s-trans-Propenoic acid
  321786.3905  0.1270 -5.7490 3 1053.8721169  72503 303841966      841867        s-trans-Propenoic acid
  321935.8952  0.0422 -4.8173 3  408.5988 85  72503 303422418      422319        s-trans-Propenoic acid
  321935.8952  0.0422 -4.8173 3  408.5988 85  72503 303422419      422320        s-trans-Propenoic acid
  321974.5753  0.0089 -4.3164 3  133.5975 33  72503 3031615 1      1514 2        s-trans-Propenoic acid
  321974.5753  0.0089 -4.3164 3  133.5975 33  72503 3031615 2      1514 1        s-trans-Propenoic acid
  321996.0240  0.0022 -3.8552 3  308.4744 87  72503 30343 935      42 934        s-trans-Propenoic acid
  322081.4095  0.0095 -5.9287 3  281.5269 77  72503 303381425      381226        s-trans-Propenoic acid
  322087.9661  0.3004 -6.2210 3 1325.6530189  72503 303942272      942173        s-trans-Propenoic acid
  322092.4215  0.0053 -4.0421 3  359.7393 85  72503 303421924      411923        s-trans-Propenoic acid
  322092.4231  0.0053 -4.0421 3  359.7393 85  72503 303421923      411922        s-trans-Propenoic acid
  322192.1899  0.0022 -3.8546 3  308.4591 87  72503 30343 835      42 834        s-trans-Propenoic acid
  322300.3462  0.0423 -4.8152 3  397.9246 83  72503 303412417      412318        s-trans-Propenoic acid
  322300.3462  0.0423 -4.8152 3  397.9246 83  72503 303412418      412319        s-trans-Propenoic acid
  322455.1648  0.0022 -4.5300 3  308.4591 87  72503 30343 935      42 834        s-trans-Propenoic acid
  322491.5297  0.0026 -4.6984 3  162.8494 55  72503 30327 918      26 819        s-trans-Propenoic acid
  322542.8213  0.0099 -5.1219 3  581.3857129  72503 30364 856      64 757        s-trans-Propenoic acid
  322542.8213  0.0099 -5.5950 3  581.3857129  72503 30364 856      64 857        s-trans-Propenoic acid
  322542.8217  0.0099 -5.5950 3  581.3857129  72503 30364 956      64 757        s-trans-Propenoic acid
  322542.8217  0.0099 -5.1219 3  581.3857129  72503 30364 956      64 857        s-trans-Propenoic acid
  322574.0973  0.0121 -5.6669 3  318.3368 85  72503 303421329      421032        s-trans-Propenoic acid
  322585.4988  0.0062 -6.1868 3  182.1393 55  72503 303271315      271116        s-trans-Propenoic acid
  322621.0831  0.0062 -6.1867 3  182.1381 55  72503 303271314      271117        s-trans-Propenoic acid
  322625.1908  0.0022 -3.8551 3  303.2029 85  72503 303421033      411032        s-trans-Propenoic acid
  322639.3771  0.0425 -4.8149 3  387.5105 81  72503 303402416      402317        s-trans-Propenoic acid
  322639.3771  0.0425 -4.8149 3  387.5105 81  72503 303402417      402318        s-trans-Propenoic acid
  322644.9763  0.0023 -3.8708 3  302.0606 83  72503 303411230      401229        s-trans-Propenoic acid
  322673.7298  0.0876 -5.1141 3  687.8331125  72503 303622537      622438        s-trans-Propenoic acid
  322673.7765  0.0876 -5.1141 3  687.8331125  72503 303622538      622439        s-trans-Propenoic acid
  322729.5056  0.0073 -5.1090 3  477.9768119  72503 30359 554      59 455        s-trans-Propenoic acid
  322729.5056  0.0073 -5.5514 3  477.9768119  72503 30359 554      59 555        s-trans-Propenoic acid
  322729.5056  0.0073 -5.5514 3  477.9768119  72503 30359 654      59 455        s-trans-Propenoic acid
  322729.5056  0.0073 -5.1090 3  477.9768119  72503 30359 654      59 555        s-trans-Propenoic acid
  322765.1529  0.0050 -6.0608 3  102.1337 37  72503 30318 712      17 413        s-trans-Propenoic acid
  322860.6585  0.0044 -4.0114 3  351.4233 85  72503 303421825      411824        s-trans-Propenoic acid
  322860.6867  0.0044 -4.0114 3  351.4233 85  72503 303421824      411823        s-trans-Propenoic acid
  322954.3490  0.0428 -4.8166 3  377.3563 79  72503 303392415      392316        s-trans-Propenoic acid
  322954.3490  0.0428 -4.8166 3  377.3563 79  72503 303392416      392317        s-trans-Propenoic acid
  323037.3606  0.1899 -5.4337 3  891.7972147  72503 303732647      732548        s-trans-Propenoic acid
  323046.3147  0.1899 -5.4337 3  891.7969147  72503 303732648      732549        s-trans-Propenoic acid
  323048.3115  0.0111 -5.9277 3  241.6221 71  72503 303351223      35 926        s-trans-Propenoic acid
  323205.2943  0.0064 -4.3516 3  135.6986 37  72503 3031814 4      1713 5        s-trans-Propenoic acid
  323205.2943  0.0064 -4.3516 3  135.6986 37  72503 3031814 5      1713 4        s-trans-Propenoic acid
  323210.8479  0.1963 -5.9718 3 1185.9721179  72503 303892069      891970        s-trans-Propenoic acid
  323246.5619  0.0431 -4.8203 3  367.4614 77  72503 303382414      382315        s-trans-Propenoic acid
  323246.5619  0.0431 -4.8203 3  367.4614 77  72503 303382415      382316        s-trans-Propenoic acid
  323349.7467  0.0027 -3.8862 3  307.2098 83  72503 303411328      401327        s-trans-Propenoic acid
  323496.5468  0.0050 -4.6926 3  271.5281 79  72503 303391030      38 929        s-trans-Propenoic acid
  323517.2586  0.0434 -4.8264 3  357.8254 75  72503 303372413      372314        s-trans-Propenoic acid
  323517.2586  0.0434 -4.8264 3  357.8254 75  72503 303372414      372315        s-trans-Propenoic acid
  323667.5771  0.0069 -5.2013 3  417.7850113  72503 30356 353      56 254        s-trans-Propenoic acid
  323667.5771  0.0069 -5.6245 3  417.7850113  72503 30356 353      56 354        s-trans-Propenoic acid
  323667.5771  0.0069 -5.6245 3  417.7850113  72503 30356 453      56 254        s-trans-Propenoic acid
  323667.5771  0.0069 -5.2013 3  417.7850113  72503 30356 453      56 354        s-trans-Propenoic acid
  323711.9245  0.0109 -5.5569 3  360.6863107  72503 30353 152      53 053        s-trans-Propenoic acid
  323711.9245  0.0109 -5.9620 3  360.6863107  72503 30353 152      53 153        s-trans-Propenoic acid
  323711.9245  0.0109 -5.9620 3  360.6863107  72503 30353 252      53 053        s-trans-Propenoic acid
  323711.9245  0.0109 -5.5569 3  360.6863107  72503 30353 252      53 153        s-trans-Propenoic acid
  323720.2471  0.1963 -5.9705 3 1185.9748179  72503 303892169      892070        s-trans-Propenoic acid
  323728.7550  0.0042 -4.6677 3  281.8544 81  72503 303401031      39 930        s-trans-Propenoic acid
  323767.6283  0.0437 -4.8350 3  348.4480 73  72503 303362412      362313        s-trans-Propenoic acid
  323767.6283  0.0437 -4.8350 3  348.4480 73  72503 303362413      362314        s-trans-Propenoic acid
  323769.0444  0.1816 -6.1763 3  920.5469153  72503 303762353      752452        s-trans-Propenoic acid
  323770.8256  0.1023 -5.6598 3 1000.9663165  72503 303821765      821666        s-trans-Propenoic acid
  323791.1183  0.0036 -3.9822 3  343.6165 85  72503 303421726      411725        s-trans-Propenoic acid
  323791.5405  0.0036 -3.9822 3  343.6165 85  72503 303421725      411724        s-trans-Propenoic acid
  323805.6974  0.0823 -5.0893 3  671.8702123  72503 303612536      612437        s-trans-Propenoic acid
  323805.7190  0.0823 -5.0893 3  671.8702123  72503 303612537      612438        s-trans-Propenoic acid
  323814.8486  0.1025 -5.6597 3 1000.9665165  72503 303821865      821766        s-trans-Propenoic acid
  323823.4721  0.0209 -5.9180 3  352.2944 89  72503 303441530      441331        s-trans-Propenoic acid
  323904.7812  0.0112 -5.6458 3  329.7212 87  72503 303431330      431033        s-trans-Propenoic acid
  323968.4497  0.5163 -6.0221 3 1230.1018177  72503 303882860      882761        s-trans-Propenoic acid
  323968.5525  0.2917 -6.2161 3 1325.6644189  72503 303942372      942273        s-trans-Propenoic acid
  323998.8098  0.0441 -4.8466 3  339.3286 71  72503 303352411      352312        s-trans-Propenoic acid
  323998.8098  0.0441 -4.8466 3  339.3286 71  72503 303352412      352313        s-trans-Propenoic acid
  324038.5277  0.0119 -5.6366 3  622.8750133  72503 30366 957      66 958        s-trans-Propenoic acid
  324038.5278  0.0119 -5.1532 3  622.8750133  72503 30366 957      66 858        s-trans-Propenoic acid
  324038.5295  0.0119 -5.1532 3  622.8750133  72503 303661057      66 958        s-trans-Propenoic acid
  324038.5296  0.0119 -5.6366 3  622.8750133  72503 303661057      66 858        s-trans-Propenoic acid
  324040.0937  0.3266 -5.7256 3 1063.7756163  72503 303812754      812655        s-trans-Propenoic acid
  324140.2510  0.0452 -5.9582 3  692.7894 87  72503 3034342 1      4242 0        s-trans-Propenoic acid
  324140.2510  0.0452 -5.9582 3  692.7894 87  72503 3034342 2      4242 1        s-trans-Propenoic acid
  324167.4669  0.0025 -4.5729 3  159.7443 53  72503 303261017      25 916        s-trans-Propenoic acid
  324170.3208  0.3255 -5.7252 3 1063.7707163  72503 303812755      812656        s-trans-Propenoic acid
  324211.8946  0.0444 -4.8616 3  330.4669 69  72503 303342410      342311        s-trans-Propenoic acid
  324211.8946  0.0444 -4.8616 3  330.4669 69  72503 303342411      342312        s-trans-Propenoic acid
  324215.4037  0.0091 -5.9068 3  291.5680 79  72503 303391425      391228        s-trans-Propenoic acid
  324243.5941  0.0429 -5.6221 3  673.6536 87  72503 3034341 2      4241 1        s-trans-Propenoic acid
  324243.5941  0.0429 -5.6221 3  673.6536 87  72503 3034341 3      4241 2        s-trans-Propenoic acid
  324350.9573  0.0406 -5.4121 3  654.9793 87  72503 3034340 3      4240 2        s-trans-Propenoic acid
  324350.9573  0.0406 -5.4121 3  654.9793 87  72503 3034340 4      4240 3        s-trans-Propenoic acid
  324361.4284  0.0045 -4.3895 3  139.3141 41  72503 3032013 8      1912 7        s-trans-Propenoic acid
  324361.4287  0.0045 -4.3895 3  139.3141 41  72503 3032013 7      1912 8        s-trans-Propenoic acid
  324407.9288  0.0448 -4.8804 3  321.8626 67  72503 3033324 9      332310        s-trans-Propenoic acid
  324407.9288  0.0448 -4.8804 3  321.8626 67  72503 303332410      332311        s-trans-Propenoic acid
  324427.1558  0.0091 -6.2265 3  186.0297 59  72503 303291118      29 821        s-trans-Propenoic acid
  324462.8592  0.0384 -5.2542 3  636.7670 87  72503 3034339 4      4239 3        s-trans-Propenoic acid
  324462.8592  0.0384 -5.2542 3  636.7670 87  72503 3034339 5      4239 4        s-trans-Propenoic acid
  324510.6469  0.0130 -4.9059 3  346.6616 91  72503 303451134      441233        s-trans-Propenoic acid
  324579.8882  0.0362 -5.1253 3  619.0169 87  72503 3034338 5      4238 4        s-trans-Propenoic acid
  324579.8882  0.0362 -5.1253 3  619.0169 87  72503 3034338 6      4238 5        s-trans-Propenoic acid
  324587.9163  0.0452 -4.9040 3  313.5152 65  72503 3033224 8      3223 9        s-trans-Propenoic acid
  324587.9163  0.0452 -4.9040 3  313.5152 65  72503 3033224 9      322310        s-trans-Propenoic acid
  324665.0119  0.0802 -6.0080 3  494.7400109  72503 303541738      541539        s-trans-Propenoic acid
  324702.7151  0.0341 -5.0152 3  601.7294 87  72503 3034337 6      4237 5        s-trans-Propenoic acid
  324702.7151  0.0341 -5.0152 3  601.7294 87  72503 3034337 7      4237 6        s-trans-Propenoic acid
  324752.8201  0.0456 -4.9331 3  305.4245 63  72503 3033124 7      3123 8        s-trans-Propenoic acid
  324752.8201  0.0456 -4.9331 3  305.4245 63  72503 3033124 8      3123 9        s-trans-Propenoic acid
  324789.6116  0.5052 -6.0199 3 1230.0698177  72503 303882861      882762        s-trans-Propenoic acid
  324832.1071  0.0321 -4.9183 3  584.9048 87  72503 3034336 7      4236 6        s-trans-Propenoic acid
  324832.1071  0.0321 -4.9183 3  584.9048 87  72503 3034336 8      4236 7        s-trans-Propenoic acid
  324835.1149  0.0023 -3.8484 3  303.0062 85  72503 30342 933      41 932        s-trans-Propenoic acid
  324845.6383  0.0057 -4.7153 3  261.3706 77  72503 303381029      37 928        s-trans-Propenoic acid
  324872.7813  0.0775 -5.0655 3  656.1790121  72503 303602535      602436        s-trans-Propenoic acid
  324872.7911  0.0775 -5.0655 3  656.1790121  72503 303602536      602437        s-trans-Propenoic acid
  324893.7633  0.1778 -5.3991 3  872.8493145  72503 303722646      722547        s-trans-Propenoic acid
  324898.4755  0.1777 -5.3991 3  872.8491145  72503 303722647      722548        s-trans-Propenoic acid
  324903.5646  0.0459 -4.9694 3  297.5900 61  72503 3033024 6      3023 7        s-trans-Propenoic acid
  324903.5646  0.0459 -4.9694 3  297.5900 61  72503 3033024 7      3023 8        s-trans-Propenoic acid
  324942.9567  0.0029 -3.9544 3  336.3332 85  72503 303421627      411626        s-trans-Propenoic acid
  324948.2780  0.0029 -3.9544 3  336.3334 85  72503 303421626      411625        s-trans-Propenoic acid
  324968.9451  0.0301 -4.8314 3  568.5436 87  72503 3034335 8      4235 7        s-trans-Propenoic acid
  324968.9451  0.0301 -4.8314 3  568.5436 87  72503 3034335 9      4235 8        s-trans-Propenoic acid
  324970.5761  0.0045 -6.1089 3  106.5657 41  72503 30320 516      19 317        s-trans-Propenoic acid
  324978.1389  0.0042 -5.9432 3  110.2785 39  72503 30319 811      18 612        s-trans-Propenoic acid
  324984.3248  0.0038 -6.0112 3  105.3925 37  72503 30318 811      17 612        s-trans-Propenoic acid
  325026.7161  0.0084 -5.5557 3  516.1428123  72503 30361 655      61 656        s-trans-Propenoic acid
  325026.7162  0.0084 -5.1038 3  516.1428123  72503 30361 655      61 556        s-trans-Propenoic acid
  325026.7162  0.0084 -5.5557 3  516.1428123  72503 30361 755      61 556        s-trans-Propenoic acid
  325026.7162  0.0084 -5.1038 3  516.1428123  72503 30361 755      61 656        s-trans-Propenoic acid
  325041.0367  0.0463 -5.0149 3  290.0114 59  72503 3032924 5      2923 6        s-trans-Propenoic acid
  325041.0367  0.0463 -5.0149 3  290.0114 59  72503 3032924 6      2923 7        s-trans-Propenoic acid
  325083.7401  0.0045 -5.7313 3  106.5619 41  72503 30320 516      19 217        s-trans-Propenoic acid
  325114.2450  0.0281 -4.7524 3  552.6463 87  72503 3034334 9      4234 8        s-trans-Propenoic acid
  325114.2450  0.0281 -4.7524 3  552.6463 87  72503 303433410      4234 9        s-trans-Propenoic acid
  325166.0878  0.0467 -5.0727 3  282.6884 57  72503 3032824 4      2823 5        s-trans-Propenoic acid
  325166.0878  0.0467 -5.0727 3  282.6884 57  72503 3032824 5      2823 6        s-trans-Propenoic acid
  325248.0275  0.0153 -5.6872 3  665.6653137  72503 303681058      681059        s-trans-Propenoic acid
  325248.0279  0.0153 -5.1933 3  665.6653137  72503 303681058      68 959        s-trans-Propenoic acid
  325248.0356  0.0153 -5.1933 3  665.6653137  72503 303681158      681059        s-trans-Propenoic acid
  325248.0361  0.0153 -5.6872 3  665.6653137  72503 303681158      68 959        s-trans-Propenoic acid
  325269.1837  0.0263 -4.6798 3  537.2132 87  72503 303433310      4233 9        s-trans-Propenoic acid
  325269.1837  0.0263 -4.6798 3  537.2132 87  72503 303433311      423310        s-trans-Propenoic acid
  325279.5349  0.0471 -5.1485 3  275.6208 55  72503 3032724 3      2723 4        s-trans-Propenoic acid
  325279.5349  0.0471 -5.1485 3  275.6208 55  72503 3032724 4      2723 5        s-trans-Propenoic acid
  325282.9517  0.0815 -6.1413 3  949.2931161  72503 303801664      801665        s-trans-Propenoic acid
  325284.6314  0.0815 -5.5757 3  949.2930161  72503 303801664      801565        s-trans-Propenoic acid
  325299.6754  0.0816 -5.5757 3  949.2931161  72503 303801764      801665        s-trans-Propenoic acid
  325301.3551  0.0816 -6.1412 3  949.2930161  72503 303801764      801565        s-trans-Propenoic acid
  325312.1288  0.0132 -5.9435 3  370.4348 93  72503 303461432      461235        s-trans-Propenoic acid
  325314.0265  0.0032 -4.4335 3  144.4759 45  72503 303221211      211110        s-trans-Propenoic acid
  325314.1630  0.0032 -4.4335 3  144.4759 45  72503 303221210      211111        s-trans-Propenoic acid
  325382.1614  0.0474 -5.2524 3  268.8082 53  72503 3032624 2      2623 3        s-trans-Propenoic acid
  325382.1614  0.0474 -5.2524 3  268.8082 53  72503 3032624 3      2623 4        s-trans-Propenoic acid
  325388.9145  0.0025 -3.8278 3  285.2140 81  72503 303401030      391029        s-trans-Propenoic acid
  325435.1315  0.0244 -4.6125 3  522.2451 87  72503 303433211      423210        s-trans-Propenoic acid
  325435.1315  0.0244 -4.6125 3  522.2451 87  72503 303433212      423211        s-trans-Propenoic acid
  325457.3848  0.0024 -4.5702 3  159.7082 53  72503 303261016      25 917        s-trans-Propenoic acid
  325474.7186  0.0478 -5.4075 3  262.2503 51  72503 3032524 1      2523 2        s-trans-Propenoic acid
  325474.7186  0.0478 -5.4075 3  262.2503 51  72503 3032524 2      2523 3        s-trans-Propenoic acid
  325481.4814  0.0035 -4.6428 3  292.3460 83  72503 303411032      40 931        s-trans-Propenoic acid
  325557.9262  0.0482 -5.6876 3  255.9469 49  72503 3032424 0      2423 1        s-trans-Propenoic acid
  325557.9262  0.0482 -5.6876 3  255.9469 49  72503 3032424 1      2423 2        s-trans-Propenoic acid
  325613.6921  0.0227 -4.5499 3  507.7424 87  72503 303433112      423111        s-trans-Propenoic acid
  325613.6921  0.0227 -4.5499 3  507.7424 87  72503 303433113      423112        s-trans-Propenoic acid
  325745.1366  0.0025 -4.4895 3  151.2414 49  72503 303241114      231013        s-trans-Propenoic acid
  325757.0957  0.0772 -5.9799 3  798.4110143  72503 303712052      702149        s-trans-Propenoic acid
  325766.4938  0.0025 -4.4895 3  151.2408 49  72503 303241113      231014        s-trans-Propenoic acid
  325806.7536  0.0209 -4.4913 3  493.7060 87  72503 303433013      423012        s-trans-Propenoic acid
  325806.7536  0.0209 -4.4913 3  493.7060 87  72503 303433014      423013        s-trans-Propenoic acid
  325878.7343  0.0731 -5.0427 3  640.7583119  72503 303592534      592435        s-trans-Propenoic acid
  325878.7387  0.0731 -5.0427 3  640.7583119  72503 303592535      592436        s-trans-Propenoic acid
  325978.1846  0.0863 -5.4947 3  549.7388117  72503 303581642      571741        s-trans-Propenoic acid
  325980.7386  0.0046 -5.8826 3  106.9352 39  72503 30319 713      18 414        s-trans-Propenoic acid
  326016.5527  0.0193 -4.4363 3  480.1367 87  72503 303432914      422913        s-trans-Propenoic acid
  326016.5527  0.0193 -4.4363 3  480.1367 87  72503 303432915      422914        s-trans-Propenoic acid
  326154.3293  0.0205 -5.7459 3  709.7490141  72503 303701159      701160        s-trans-Propenoic acid
  326154.3315  0.0205 -5.2410 3  709.7490141  72503 303701159      701060        s-trans-Propenoic acid
  326154.3632  0.0205 -5.2410 3  709.7490141  72503 303701259      701160        s-trans-Propenoic acid
  326154.3653  0.0205 -5.7459 3  709.7490141  72503 303701259      701060        s-trans-Propenoic acid
  326178.9692  0.0133 -5.7130 3  307.1154 83  72503 303411328      411031        s-trans-Propenoic acid
  326245.7579  0.0177 -4.3845 3  467.0355 87  72503 303432815      422814        s-trans-Propenoic acid
  326245.7579  0.0177 -4.3845 3  467.0355 87  72503 303432816      422815        s-trans-Propenoic acid
  326286.2959  0.0639 -6.0495 3  898.8623157  72503 303781563      781564        s-trans-Propenoic acid
  326286.7939  0.0639 -5.4972 3  898.8623157  72503 303781563      781464        s-trans-Propenoic acid
  326291.6864  0.0640 -5.4972 3  898.8623157  72503 303781663      781564        s-trans-Propenoic acid
  326292.1844  0.0640 -6.0495 3  898.8623157  72503 303781663      781464        s-trans-Propenoic acid
  326398.6039  0.0025 -3.9276 3  329.5947 85  72503 303421528      411527        s-trans-Propenoic acid
  326434.4282  0.0072 -5.1452 3  453.9068117  72503 30358 454      58 355        s-trans-Propenoic acid
  326434.4282  0.0072 -5.5775 3  453.9068117  72503 30358 454      58 455        s-trans-Propenoic acid
  326434.4282  0.0072 -5.5775 3  453.9068117  72503 30358 554      58 355        s-trans-Propenoic acid
  326434.4282  0.0072 -5.1452 3  453.9068117  72503 30358 554      58 455        s-trans-Propenoic acid
  326453.8734  0.0025 -3.9275 3  329.5966 85  72503 303421527      411526        s-trans-Propenoic acid
  326497.5769  0.0161 -4.3356 3  454.4034 87  72503 303432716      422715        s-trans-Propenoic acid
  326497.5769  0.0161 -4.3356 3  454.4034 87  72503 303432717      422716        s-trans-Propenoic acid
  326544.4329  0.1613 -5.8704 3 1129.9921175  72503 303871968      871869        s-trans-Propenoic acid
  326610.7634  0.0027 -4.6143 3  313.9645 87  72503 30343 934      421033        s-trans-Propenoic acid
  326616.2295  0.3062 -5.6838 3 1042.6274161  72503 303802753      802654        s-trans-Propenoic acid
  326640.3775  0.1664 -5.3656 3  854.1817143  72503 303712645      712546        s-trans-Propenoic acid
  326642.8216  0.1664 -5.3656 3  854.1816143  72503 303712646      712547        s-trans-Propenoic acid
  326689.7095  0.3056 -5.6836 3 1042.6247161  72503 303802754      802655        s-trans-Propenoic acid
  326737.4979  0.0277 -5.8118 3  755.1186145  72503 303721260      721261        s-trans-Propenoic acid
  326737.5072  0.0277 -5.2958 3  755.1186145  72503 303721260      721161        s-trans-Propenoic acid
  326737.6293  0.0277 -5.2958 3  755.1186145  72503 303721360      721261        s-trans-Propenoic acid
  326737.6386  0.0277 -5.8118 3  755.1186145  72503 303721360      721161        s-trans-Propenoic acid
  326741.3711  0.1617 -5.8699 3 1129.9930175  72503 303872068      871969        s-trans-Propenoic acid
  326775.8994  0.0146 -4.2895 3  442.2420 87  72503 303432617      422616        s-trans-Propenoic acid
  326775.8994  0.0146 -4.2895 3  442.2420 87  72503 303432618      422617        s-trans-Propenoic acid
  326786.5711  0.0043 -3.8070 3  338.1609103  72503 30351 150      50 149        s-trans-Propenoic acid
  326786.5711  0.0043 -4.2126 3  338.1609103  72503 30351 150      50 249        s-trans-Propenoic acid
  326786.5711  0.0043 -4.2126 3  338.1609103  72503 30351 250      50 149        s-trans-Propenoic acid
  326786.5711  0.0043 -3.8070 3  338.1609103  72503 30351 250      50 249        s-trans-Propenoic acid
  326789.2783  0.0052 -3.7962 3  338.6780105  72503 30352 052      51 051        s-trans-Propenoic acid
  326789.2783  0.0052 -4.1830 3  338.6780105  72503 30352 052      51 151        s-trans-Propenoic acid
  326789.2783  0.0052 -4.1830 3  338.6780105  72503 30352 152      51 051        s-trans-Propenoic acid
  326789.2783  0.0052 -3.7962 3  338.6780105  72503 30352 152      51 151        s-trans-Propenoic acid
  326790.1247  0.0039 -3.8169 3  337.1277101  72503 30350 248      49 247        s-trans-Propenoic acid
  326790.1247  0.0039 -4.2436 3  337.1277101  72503 30350 248      49 347        s-trans-Propenoic acid
  326790.1247  0.0039 -4.2436 3  337.1277101  72503 30350 348      49 247        s-trans-Propenoic acid
  326790.1247  0.0039 -3.8169 3  337.1277101  72503 30350 348      49 347        s-trans-Propenoic acid
  326808.8432  0.0036 -3.8258 3  335.5687 99  72503 30349 346      48 345        s-trans-Propenoic acid
  326808.8432  0.0036 -4.2767 3  335.5687 99  72503 30349 346      48 445        s-trans-Propenoic acid
  326808.8432  0.0036 -4.2767 3  335.5687 99  72503 30349 446      48 345        s-trans-Propenoic acid
  326808.8432  0.0036 -3.8258 3  335.5687 99  72503 30349 446      48 445        s-trans-Propenoic acid
  326827.0145  0.0692 -5.0209 3  625.6075117  72503 303582533      582434        s-trans-Propenoic acid
  326827.0164  0.0692 -5.0209 3  625.6075117  72503 303582534      582435        s-trans-Propenoic acid
  326835.1412  0.0493 -5.9639 3  849.6837153  72503 303761462      761463        s-trans-Propenoic acid
  326835.2812  0.0493 -5.4242 3  849.6837153  72503 303761462      761363        s-trans-Propenoic acid
  326836.7923  0.0493 -5.4242 3  849.6837153  72503 303761562      761463        s-trans-Propenoic acid
  326836.9323  0.0493 -5.9639 3  849.6837153  72503 303761562      761363        s-trans-Propenoic acid
  326856.6932  0.0033 -4.3124 3  333.4711 97  72503 30348 444      47 543        s-trans-Propenoic acid
  326856.6933  0.0033 -3.8337 3  333.4711 97  72503 30348 544      47 543        s-trans-Propenoic acid
  326856.6934  0.0033 -3.8337 3  333.4711 97  72503 30348 444      47 443        s-trans-Propenoic acid
  326856.6935  0.0033 -4.3124 3  333.4711 97  72503 30348 544      47 443        s-trans-Propenoic acid
  326902.6457  0.0087 -5.3197 3  394.7364111  72503 30355 253      55 154        s-trans-Propenoic acid
  326902.6457  0.0087 -5.7335 3  394.7364111  72503 30355 253      55 254        s-trans-Propenoic acid
  326902.6457  0.0087 -5.7335 3  394.7364111  72503 30355 353      55 154        s-trans-Propenoic acid
  326902.6457  0.0087 -5.3197 3  394.7364111  72503 30355 353      55 254        s-trans-Propenoic acid
  326956.3838  0.0030 -4.3517 3  330.8176 95  72503 30347 542      46 641        s-trans-Propenoic acid
  326956.3891  0.0030 -3.8404 3  330.8176 95  72503 30347 642      46 641        s-trans-Propenoic acid
  326956.3945  0.0030 -3.8404 3  330.8176 95  72503 30347 542      46 541        s-trans-Propenoic acid
  326956.3998  0.0030 -4.3517 3  330.8176 95  72503 30347 642      46 541        s-trans-Propenoic acid
  326965.6277  0.0035 -3.8323 3  288.1234 81  72503 303401129      391128        s-trans-Propenoic acid
  326973.9050  0.0373 -5.8846 3  801.7662149  72503 303741361      741362        s-trans-Propenoic acid
  326973.9421  0.0373 -5.3570 3  801.7662149  72503 303741361      741262        s-trans-Propenoic acid
  326974.3842  0.0373 -5.3570 3  801.7662149  72503 303741461      741362        s-trans-Propenoic acid
  326974.4214  0.0373 -5.8846 3  801.7662149  72503 303741461      741262        s-trans-Propenoic acid
  326997.4700  0.0423 -5.9484 3  419.9152 99  72503 303491634      491435        s-trans-Propenoic acid
  327081.8974  0.0097 -5.1141 3  555.6316127  72503 30363 756      63 657        s-trans-Propenoic acid
  327081.8974  0.0097 -5.5756 3  555.6316127  72503 30363 756      63 757        s-trans-Propenoic acid
  327081.8974  0.0097 -5.5756 3  555.6316127  72503 30363 856      63 657        s-trans-Propenoic acid
  327081.8974  0.0097 -5.1141 3  555.6316127  72503 30363 856      63 757        s-trans-Propenoic acid
  327085.4876  0.0132 -4.2459 3  430.5526 87  72503 303432518      422517        s-trans-Propenoic acid
  327085.4876  0.0132 -4.2459 3  430.5526 87  72503 303432519      422518        s-trans-Propenoic acid
  327146.5680  0.0027 -4.3963 3  327.5840 93  72503 30346 640      45 739        s-trans-Propenoic acid
  327146.7892  0.0027 -3.8458 3  327.5840 93  72503 30346 740      45 739        s-trans-Propenoic acid
  327146.9999  0.0027 -3.8458 3  327.5840 93  72503 30346 640      45 639        s-trans-Propenoic acid
  327147.2211  0.0027 -4.3963 3  327.5840 93  72503 30346 740      45 639        s-trans-Propenoic acid
  327229.5505  0.2455 -6.1068 3 1266.6380185  72503 303922171      922072        s-trans-Propenoic acid
  327432.2360  0.0118 -4.2045 3  419.3375 87  72503 303432419      422418        s-trans-Propenoic acid
  327432.2360  0.0118 -4.2045 3  419.3375 87  72503 303432420      422419        s-trans-Propenoic acid
  327466.6300  0.0086 -5.9170 3  281.3497 77  72503 303381424      381227        s-trans-Propenoic acid
  327470.9569  0.4824 -5.9734 3 1207.0017175  72503 303872859      872760        s-trans-Propenoic acid
  327490.9451  0.0025 -4.4488 3  323.7346 91  72503 30345 738      44 837        s-trans-Propenoic acid
  327497.7033  0.0025 -3.8495 3  323.7346 91  72503 30345 838      44 837        s-trans-Propenoic acid
  327503.5657  0.0025 -3.8495 3  323.7342 91  72503 30345 738      44 737        s-trans-Propenoic acid
  327510.3240  0.0025 -4.4487 3  323.7342 91  72503 30345 838      44 737        s-trans-Propenoic acid
  327591.7404  0.0063 -4.7328 3  251.3948 75  72503 303371028      36 927        s-trans-Propenoic acid
  327605.8933  0.0087 -5.9368 3  271.5122 75  72503 303371424      371225        s-trans-Propenoic acid
  327622.8745  0.0142 -6.1197 3  313.9645 85  72503 303421230      421033        s-trans-Propenoic acid
  327642.3447  0.0044 -5.8731 3  115.3459 41  72503 30320 812      19 613        s-trans-Propenoic acid
  327687.3366  0.2039 -6.1628 3  648.3523127  72503 303631945      631746        s-trans-Propenoic acid
  327720.8196  0.0657 -5.0001 3  610.7258115  72503 303572532      572433        s-trans-Propenoic acid
  327720.8205  0.0657 -5.0001 3  610.7258115  72503 303572533      572434        s-trans-Propenoic acid
  327823.5341  0.0105 -4.1654 3  408.5988 87  72503 303432320      422319        s-trans-Propenoic acid
  327823.5341  0.0105 -4.1654 3  408.5988 87  72503 303432321      422320        s-trans-Propenoic acid
  327959.6325  0.4762 -5.9721 3 1206.9828175  72503 303872860      872761        s-trans-Propenoic acid
  327966.2358  0.0024 -4.5147 3  319.2151 89  72503 30344 836      43 935        s-trans-Propenoic acid
  328007.6870  0.1597 -5.8790 3  761.6477139  72503 303692049      682148        s-trans-Propenoic acid
  328012.5906  0.2444 -6.1048 3 1266.6423185  72503 303922271      922172        s-trans-Propenoic acid
  328071.2603  0.0023 -3.8531 3  308.0683 85  72503 303421132      411131        s-trans-Propenoic acid
  328085.7782  0.0112 -6.0834 3  221.1356 69  72503 30334 925      34 628        s-trans-Propenoic acid
  328115.1112  0.0024 -3.8510 3  319.2151 89  72503 30344 936      43 935        s-trans-Propenoic acid
  328204.0595  0.0023 -3.9019 3  323.4297 85  72503 303421429      411428        s-trans-Propenoic acid
  328229.2108  0.0024 -3.8507 3  319.2063 89  72503 30344 836      43 835        s-trans-Propenoic acid
  328239.6621  0.1799 -6.0760 3  872.1501149  72503 303742252      732351        s-trans-Propenoic acid
  328268.7828  0.0092 -4.1283 3  398.3398 87  72503 303432221      422220        s-trans-Propenoic acid
  328268.7828  0.0092 -4.1283 3  398.3398 87  72503 303432222      422221        s-trans-Propenoic acid
  328285.5219  0.1558 -5.3330 3  835.7932141  72503 303702644      702545        s-trans-Propenoic acid
  328286.7712  0.1558 -5.3330 3  835.7931141  72503 303702645      702546        s-trans-Propenoic acid
  328378.0862  0.0024 -4.5136 3  319.2063 89  72503 30344 936      43 835        s-trans-Propenoic acid
  328522.7921  0.0030 -4.6192 3  303.0062 85  72503 303421033      41 932        s-trans-Propenoic acid
  328563.1164  0.0626 -4.9802 3  596.1123113  72503 303562531      562432        s-trans-Propenoic acid
  328563.1168  0.0626 -4.9802 3  596.1123113  72503 303562532      562433        s-trans-Propenoic acid
  328660.9428  0.0025 -3.9008 3  323.4478 85  72503 303421428      411427        s-trans-Propenoic acid
  328780.1542  0.0080 -4.0931 3  388.5640 87  72503 303432122      422121        s-trans-Propenoic acid
  328780.1542  0.0080 -4.0931 3  388.5640 87  72503 303432123      422122        s-trans-Propenoic acid
  328868.6151  0.0023 -3.8504 3  313.9645 87  72503 303431034      421033        s-trans-Propenoic acid
  328884.7268  0.0111 -5.1366 3  596.4362131  72503 30365 857      65 758        s-trans-Propenoic acid
  328884.7268  0.0111 -5.6080 3  596.4362131  72503 30365 857      65 858        s-trans-Propenoic acid
  328884.7270  0.0111 -5.6080 3  596.4362131  72503 30365 957      65 758        s-trans-Propenoic acid
  328884.7270  0.0111 -5.1366 3  596.4362131  72503 30365 957      65 858        s-trans-Propenoic acid
  328981.0379  0.0083 -5.1204 3  491.3652121  72503 30360 555      60 456        s-trans-Propenoic acid
  328981.0379  0.0083 -5.5618 3  491.3652121  72503 30360 555      60 556        s-trans-Propenoic acid
  328981.0379  0.0083 -5.5618 3  491.3652121  72503 30360 655      60 456        s-trans-Propenoic acid
  328981.0379  0.0083 -5.1204 3  491.3652121  72503 30360 655      60 556        s-trans-Propenoic acid
  329019.4838  0.2873 -5.6432 3 1021.7680159  72503 303792752      792653        s-trans-Propenoic acid
  329060.3721  0.2870 -5.6431 3 1021.7665159  72503 303792753      792654        s-trans-Propenoic acid
  329076.3672  0.1318 -5.7748 3 1075.2238171  72503 303851867      851768        s-trans-Propenoic acid
  329149.0303  0.1321 -5.7746 3 1075.2241171  72503 303851967      851868        s-trans-Propenoic acid
  329178.7673  0.0047 -5.8016 3  120.7275 43  72503 30321 813      20 614        s-trans-Propenoic acid
  329291.9601  0.0045 -5.4856 3  142.9199 51  72503 30325 718      24 519        s-trans-Propenoic acid
  329356.6654  0.0599 -4.9614 3  581.7664111  72503 303552530      552431        s-trans-Propenoic acid
  329356.6655  0.0599 -4.9614 3  581.7664111  72503 303552531      552432        s-trans-Propenoic acid
  329373.7474  0.0069 -4.0598 3  379.2763 87  72503 303432024      422023        s-trans-Propenoic acid
  329373.7476  0.0069 -4.0598 3  379.2763 87  72503 303432023      422022        s-trans-Propenoic acid
  329449.6987  0.0060 -5.5253 3  119.5958 45  72503 30322 517      21 418        s-trans-Propenoic acid
  329523.7222  0.0086 -4.3064 3  137.6361 35  72503 3031715 2      1614 3        s-trans-Propenoic acid
  329523.7222  0.0086 -4.3064 3  137.6361 35  72503 3031715 3      1614 2        s-trans-Propenoic acid
  329745.3062  0.0341 -5.1528 3  418.8812101  72503 303501337      491436        s-trans-Propenoic acid
  329836.4541  0.1459 -5.3014 3  817.6825139  72503 303692643      692544        s-trans-Propenoic acid
  329837.0833  0.1459 -5.3014 3  817.6824139  72503 303692644      692545        s-trans-Propenoic acid
  329889.7087  0.0078 -5.2107 3  430.1365115  72503 30357 354      57 255        s-trans-Propenoic acid
  329889.7087  0.0078 -5.6333 3  430.1365115  72503 30357 354      57 355        s-trans-Propenoic acid
  329889.7087  0.0078 -5.6333 3  430.1365115  72503 30357 454      57 255        s-trans-Propenoic acid
  329889.7087  0.0078 -5.2107 3  430.1365115  72503 30357 454      57 355        s-trans-Propenoic acid
  329924.2132  0.0119 -5.5641 3  372.0016109  72503 30354 153      54 054        s-trans-Propenoic acid
  329924.2132  0.0119 -5.9690 3  372.0016109  72503 30354 153      54 154        s-trans-Propenoic acid
  329924.2132  0.0119 -5.9690 3  372.0016109  72503 30354 253      54 054        s-trans-Propenoic acid
  329924.2132  0.0119 -5.5641 3  372.0016109  72503 30354 253      54 154        s-trans-Propenoic acid
  329932.7158  0.0048 -5.7250 3  126.4176 45  72503 30322 814      21 615        s-trans-Propenoic acid
  329962.9003  0.0059 -5.8913 3  119.5787 45  72503 30322 517      21 318        s-trans-Propenoic acid
  330027.4398  0.0024 -3.8783 3  317.8590 85  72503 303421330      411329        s-trans-Propenoic acid
  330051.2614  0.0039 -3.8507 3  302.5288 83  72503 303411229      401228        s-trans-Propenoic acid
  330071.4250  0.0058 -4.0281 3  370.4831 87  72503 303431925      421924        s-trans-Propenoic acid
  330071.4289  0.0058 -4.0281 3  370.4831 87  72503 303431924      421923        s-trans-Propenoic acid
  330104.0424  0.0576 -4.9436 3  567.6875109  72503 303542529      542430        s-trans-Propenoic acid
  330104.0424  0.0576 -4.9436 3  567.6875109  72503 303542530      542431        s-trans-Propenoic acid
  330205.4131  0.0026 -4.5788 3  166.5268 55  72503 303271018      26 917        s-trans-Propenoic acid
  330298.4406  0.0024 -3.8463 3  313.8415 87  72503 30343 934      42 933        s-trans-Propenoic acid
  330423.3663  0.0133 -5.1692 3  638.5498135  72503 30367 958      67 859        s-trans-Propenoic acid
  330423.3663  0.0133 -5.6507 3  638.5498135  72503 30367 958      67 959        s-trans-Propenoic acid
  330423.3672  0.0133 -5.6507 3  638.5498135  72503 303671058      67 859        s-trans-Propenoic acid
  330423.3672  0.0133 -5.1692 3  638.5498135  72503 303671058      67 959        s-trans-Propenoic acid
  330509.0446  0.1107 -6.0316 3  844.2369147  72503 303732153      722250        s-trans-Propenoic acid
  330543.6152  0.0048 -5.6418 3  132.4026 47  72503 30323 815      22 616        s-trans-Propenoic acid
  330545.5145  0.0036 -5.8106 3  117.4055 43  72503 30321 715      20 516        s-trans-Propenoic acid
  330547.7382  0.0024 -3.8604 3  312.8229 85  72503 303421231      411230        s-trans-Propenoic acid
  330581.0292  0.0119 -5.6520 3  341.2674 89  72503 303441331      441034        s-trans-Propenoic acid
  330672.9680  0.4520 -5.9262 3 1184.2013173  72503 303862858      862759        s-trans-Propenoic acid
  330732.9266  0.0082 -5.9299 3  271.4091 75  72503 303371423      371226        s-trans-Propenoic acid
  330740.0533  0.0063 -4.3415 3  140.2530 39  72503 3031914 5      1813 6        s-trans-Propenoic acid
  330740.0533  0.0063 -4.3415 3  140.2530 39  72503 3031914 6      1813 5        s-trans-Propenoic acid
  330807.6573  0.0556 -4.9268 3  553.8747107  72503 303532528      532429        s-trans-Propenoic acid
  330807.6573  0.0556 -4.9268 3  553.8747107  72503 303532529      532430        s-trans-Propenoic acid
  330818.2613  0.0046 -4.9147 3  159.5144 55  72503 30327 819      26 720        s-trans-Propenoic acid
  330903.8780  0.0048 -3.9980 3  362.1928 87  72503 303431826      421825        s-trans-Propenoic acid
  330903.9432  0.0048 -3.9980 3  362.1928 87  72503 303431825      421824        s-trans-Propenoic acid
  330959.6398  0.4486 -5.9255 3 1184.1903173  72503 303862859      862760        s-trans-Propenoic acid
  330962.2910  0.1067 -5.6845 3 1021.6795167  72503 303831766      831667        s-trans-Propenoic acid
  330977.5932  0.0041 -5.9068 3  114.4995 43  72503 30321 616      20 417        s-trans-Propenoic acid
  330987.8764  0.1068 -5.6845 3 1021.6796167  72503 303831866      831767        s-trans-Propenoic acid
  331101.9495  0.0042 -5.7282 3  111.9420 41  72503 30320 714      19 415        s-trans-Propenoic acid
  331126.7072  0.2029 -5.9993 3 1208.8104181  72503 303902070      901971        s-trans-Propenoic acid
  331197.9139  0.1108 -5.5826 3  603.1402123  72503 303611744      601843        s-trans-Propenoic acid
  331198.6840  0.0025 -3.8256 3  296.0678 83  72503 303411031      401030        s-trans-Propenoic acid
  331269.2552  0.2696 -5.6036 3 1001.1952157  72503 303782751      782652        s-trans-Propenoic acid
  331291.6957  0.2694 -5.6036 3 1001.1943157  72503 303782752      782653        s-trans-Propenoic acid
  331299.5898  0.1367 -5.2707 3  799.8484137  72503 303682642      682543        s-trans-Propenoic acid
  331299.8675  0.0096 -5.1165 3  530.1537125  72503 30362 656      62 557        s-trans-Propenoic acid
  331299.8675  0.0096 -5.5673 3  530.1537125  72503 30362 656      62 657        s-trans-Propenoic acid
  331299.8675  0.0096 -5.5673 3  530.1537125  72503 30362 756      62 557        s-trans-Propenoic acid
  331299.8675  0.0096 -5.1165 3  530.1537125  72503 30362 756      62 657        s-trans-Propenoic acid
  331299.9020  0.1367 -5.2707 3  799.8484137  72503 303682643      682544        s-trans-Propenoic acid
  331310.5517  0.0133 -5.7308 3  313.8415 85  72503 303421230      42 933        s-trans-Propenoic acid
  331317.6079  0.0065 -4.7421 3  241.6221 73  72503 303361027      35 926        s-trans-Propenoic acid
  331437.5632  0.2033 -5.9985 3 1208.8120181  72503 303902170      902071        s-trans-Propenoic acid
  331469.7704  0.0539 -4.9111 3  540.3276105  72503 303522527      522428        s-trans-Propenoic acid
  331469.7705  0.0539 -4.9111 3  540.3276105  72503 303522528      522429        s-trans-Propenoic acid
  331625.5326  0.0521 -6.0018 3  723.1955 89  72503 3034443 1      4343 0        s-trans-Propenoic acid
  331625.5326  0.0521 -6.0018 3  723.1955 89  72503 3034443 2      4343 1        s-trans-Propenoic acid
  331684.1744  0.0168 -5.7023 3  681.9651139  72503 303691059      691060        s-trans-Propenoic acid
  331684.1747  0.0168 -5.2105 3  681.9651139  72503 303691059      69 960        s-trans-Propenoic acid
  331684.1786  0.0168 -5.2105 3  681.9651139  72503 303691159      691060        s-trans-Propenoic acid
  331684.1789  0.0168 -5.7023 3  681.9651139  72503 303691159      69 960        s-trans-Propenoic acid
  331730.5544  0.0495 -5.6647 3  703.6016 89  72503 3034442 2      4342 1        s-trans-Propenoic acid
  331730.5544  0.0495 -5.6647 3  703.6016 89  72503 3034442 3      4342 2        s-trans-Propenoic acid
  331811.9762  0.0037 -5.9374 3  110.0457 39  72503 30319 812      18 613        s-trans-Propenoic acid
  331839.4395  0.0470 -5.4536 3  684.4692 89  72503 3034441 3      4341 2        s-trans-Propenoic acid
  331839.4395  0.0470 -5.4536 3  684.4692 89  72503 3034441 4      4341 3        s-trans-Propenoic acid
  331856.9218  0.0044 -4.3802 3  144.3917 43  72503 3032113 9      2012 8        s-trans-Propenoic acid
  331856.9230  0.0044 -4.3802 3  144.3917 43  72503 3032113 8      2012 9        s-trans-Propenoic acid
  331878.5514  0.0045 -5.5552 3  138.6633 49  72503 30324 816      23 617        s-trans-Propenoic acid
  331896.9565  0.0041 -5.5581 3  114.4688 43  72503 30321 616      20 317        s-trans-Propenoic acid
  331915.8985  0.0039 -3.9693 3  354.4170 87  72503 303431727      421726        s-trans-Propenoic acid
  331916.8139  0.0039 -3.9693 3  354.4170 87  72503 303431726      421725        s-trans-Propenoic acid
  331952.6791  0.0445 -5.2946 3  665.7985 89  72503 3034440 4      4340 3        s-trans-Propenoic acid
  331952.6791  0.0445 -5.2946 3  665.7985 89  72503 3034440 5      4340 4        s-trans-Propenoic acid
  332032.8997  0.1687 -6.1920 3  940.4500155  72503 303772355      762452        s-trans-Propenoic acid
  332070.8296  0.0420 -5.1647 3  647.5899 89  72503 3034439 5      4339 4        s-trans-Propenoic acid
  332070.8296  0.0420 -5.1647 3  647.5899 89  72503 3034439 6      4339 5        s-trans-Propenoic acid
  332072.7860  0.1417 -6.1054 3  891.5913151  72503 303752254      742351        s-trans-Propenoic acid
  332092.5064  0.0526 -4.8965 3  527.0454103  72503 303512526      512427        s-trans-Propenoic acid
  332092.5064  0.0526 -4.8965 3  527.0454103  72503 303512527      512428        s-trans-Propenoic acid
  332131.4674  0.0705 -6.0165 3  817.2486145  72503 303722053      712150        s-trans-Propenoic acid
  332136.8162  0.0081 -5.9495 3  261.8057 73  72503 303361423      361224        s-trans-Propenoic acid
  332194.5226  0.0397 -5.0535 3  629.8437 89  72503 3034438 6      4338 5        s-trans-Propenoic acid
  332194.5226  0.0397 -5.0535 3  629.8437 89  72503 3034438 7      4338 6        s-trans-Propenoic acid
  332299.9966  0.0852 -6.1608 3  969.3700163  72503 303811665      811666        s-trans-Propenoic acid
  332300.9264  0.0852 -5.5996 3  969.3700163  72503 303811665      811566        s-trans-Propenoic acid
  332309.5168  0.0852 -5.5996 3  969.3700163  72503 303811765      811666        s-trans-Propenoic acid
  332310.4467  0.0853 -6.1608 3  969.3700163  72503 303811765      811566        s-trans-Propenoic acid
  332324.4783  0.0374 -4.9555 3  612.5603 89  72503 3034437 7      4337 6        s-trans-Propenoic acid
  332324.4783  0.0374 -4.9555 3  612.5603 89  72503 3034437 8      4337 7        s-trans-Propenoic acid
  332351.8836  0.0055 -4.7188 3  330.1813 89  72503 303441034      431133        s-trans-Propenoic acid
  332461.5203  0.0351 -4.8675 3  595.7400 89  72503 3034436 8      4336 7        s-trans-Propenoic acid
  332461.5203  0.0351 -4.8675 3  595.7400 89  72503 3034436 9      4336 8        s-trans-Propenoic acid
  332556.2923  0.0027 -4.5974 3  313.8415 87  72503 303431034      42 933        s-trans-Propenoic acid
  332606.5949  0.0329 -4.7874 3  579.3834 89  72503 3034435 9      4335 8        s-trans-Propenoic acid
  332606.5949  0.0329 -4.7874 3  579.3834 89  72503 303443510      4335 9        s-trans-Propenoic acid
  332651.3417  0.0221 -5.7618 3  726.6748143  72503 303711160      711161        s-trans-Propenoic acid
  332651.3428  0.0221 -5.2595 3  726.6748143  72503 303711160      711061        s-trans-Propenoic acid
  332651.3594  0.0221 -5.2595 3  726.6748143  72503 303711260      711161        s-trans-Propenoic acid
  332651.3605  0.0221 -5.7618 3  726.6748143  72503 303711260      711061        s-trans-Propenoic acid
  332667.4692  0.0083 -5.1560 3  466.8802119  72503 30359 455      59 356        s-trans-Propenoic acid
  332667.4692  0.0083 -5.5875 3  466.8802119  72503 30359 455      59 456        s-trans-Propenoic acid
  332667.4692  0.0083 -5.5875 3  466.8802119  72503 30359 555      59 356        s-trans-Propenoic acid
  332667.4692  0.0083 -5.1560 3  466.8802119  72503 30359 555      59 456        s-trans-Propenoic acid
  332677.8667  0.0515 -4.8831 3  514.0275101  72503 303502525      502426        s-trans-Propenoic acid
  332677.8667  0.0515 -4.8831 3  514.0275101  72503 303502526      502427        s-trans-Propenoic acid
  332680.6595  0.1281 -5.2410 3  782.2898135  72503 303672641      672542        s-trans-Propenoic acid
  332680.8121  0.1281 -5.2410 3  782.2898135  72503 303672642      672543        s-trans-Propenoic acid
  332688.1849  0.0025 -4.5739 3  166.4582 55  72503 303271017      26 918        s-trans-Propenoic acid
  332718.7047  0.0031 -4.4262 3  150.0886 47  72503 303231212      221111        s-trans-Propenoic acid
  332719.1082  0.0031 -4.4261 3  150.0886 47  72503 303231211      221112        s-trans-Propenoic acid
  332760.7938  0.0308 -4.7137 3  563.4909 89  72503 303443410      4334 9        s-trans-Propenoic acid
  332760.7938  0.0308 -4.7137 3  563.4909 89  72503 303443411      433410        s-trans-Propenoic acid
  332776.6608  0.6593 -6.1972 3 1335.7917185  72503 303922963      922864        s-trans-Propenoic acid
  332802.1223  0.0033 -3.8711 3  317.9956 85  72503 303421329      411328        s-trans-Propenoic acid
  332925.3821  0.0288 -4.6453 3  548.0630 89  72503 303443311      433310        s-trans-Propenoic acid
  332925.3821  0.0288 -4.6453 3  548.0630 89  72503 303443312      433311        s-trans-Propenoic acid
  332927.6702  0.0025 -4.4859 3  157.4103 51  72503 303251115      241014        s-trans-Propenoic acid
  332977.9784  0.0025 -4.4858 3  157.4088 51  72503 303251114      241015        s-trans-Propenoic acid
  333002.7458  0.0048 -3.8050 3  349.0613105  72503 30352 151      51 150        s-trans-Propenoic acid
  333002.7458  0.0048 -4.2101 3  349.0613105  72503 30352 151      51 250        s-trans-Propenoic acid
  333002.7458  0.0048 -4.2101 3  349.0613105  72503 30352 251      51 150        s-trans-Propenoic acid
  333002.7458  0.0048 -3.8050 3  349.0613105  72503 30352 251      51 250        s-trans-Propenoic acid
  333005.5811  0.0057 -3.7944 3  349.5785107  72503 30353 053      52 052        s-trans-Propenoic acid
  333005.5811  0.0057 -4.1811 3  349.5785107  72503 30353 053      52 152        s-trans-Propenoic acid
  333005.5811  0.0057 -4.1811 3  349.5785107  72503 30353 153      52 052        s-trans-Propenoic acid
  333005.5811  0.0057 -3.7944 3  349.5785107  72503 30353 153      52 152        s-trans-Propenoic acid
  333005.7751  0.0042 -3.8147 3  348.0283103  72503 30351 249      50 248        s-trans-Propenoic acid
  333005.7751  0.0042 -4.2404 3  348.0283103  72503 30351 249      50 348        s-trans-Propenoic acid
  333005.7751  0.0042 -4.2404 3  348.0283103  72503 30351 349      50 248        s-trans-Propenoic acid
  333005.7751  0.0042 -3.8147 3  348.0283103  72503 30351 349      50 348        s-trans-Propenoic acid
  333023.0976  0.0039 -3.8234 3  346.4699101  72503 30350 347      49 346        s-trans-Propenoic acid
  333023.0976  0.0039 -4.2726 3  346.4699101  72503 30350 347      49 446        s-trans-Propenoic acid
  333023.0976  0.0039 -4.2726 3  346.4699101  72503 30350 447      49 346        s-trans-Propenoic acid
  333023.0976  0.0039 -3.8234 3  346.4699101  72503 30350 447      49 446        s-trans-Propenoic acid
  333067.7959  0.0036 -4.3072 3  344.3739 99  72503 30349 445      48 544        s-trans-Propenoic acid
  333067.7960  0.0036 -3.8310 3  344.3739 99  72503 30349 445      48 444        s-trans-Propenoic acid
  333067.7960  0.0036 -3.8310 3  344.3739 99  72503 30349 545      48 544        s-trans-Propenoic acid
  333067.7961  0.0036 -4.3072 3  344.3739 99  72503 30349 545      48 444        s-trans-Propenoic acid
  333101.8335  0.0268 -4.5816 3  533.1004 89  72503 303443212      433211        s-trans-Propenoic acid
  333101.8335  0.0268 -4.5816 3  533.1004 89  72503 303443213      433212        s-trans-Propenoic acid
  333117.2551  0.0097 -5.3284 3  406.6734113  72503 30356 254      56 155        s-trans-Propenoic acid
  333117.2551  0.0097 -5.7418 3  406.6734113  72503 30356 254      56 255        s-trans-Propenoic acid
  333117.2551  0.0097 -5.7418 3  406.6734113  72503 30356 354      56 155        s-trans-Propenoic acid
  333117.2551  0.0097 -5.3284 3  406.6734113  72503 30356 354      56 255        s-trans-Propenoic acid
  333159.7058  0.0670 -6.0685 3  918.3055159  72503 303791564      791565        s-trans-Propenoic acid
  333159.9772  0.0670 -5.5201 3  918.3055159  72503 303791564      791465        s-trans-Propenoic acid
  333160.8788  0.0033 -4.3452 3  341.7237 97  72503 30348 543      47 642        s-trans-Propenoic acid
  333160.8814  0.0033 -3.8375 3  341.7237 97  72503 30348 643      47 642        s-trans-Propenoic acid
  333160.8841  0.0033 -3.8375 3  341.7237 97  72503 30348 543      47 542        s-trans-Propenoic acid
  333160.8867  0.0033 -4.3452 3  341.7237 97  72503 30348 643      47 542        s-trans-Propenoic acid
  333162.7234  0.0670 -5.5201 3  918.3055159  72503 303791664      791565        s-trans-Propenoic acid
  333162.9948  0.0670 -6.0685 3  918.3055159  72503 303791664      791465        s-trans-Propenoic acid
  333174.1477  0.0032 -3.9419 3  347.1722 87  72503 303431628      421627        s-trans-Propenoic acid
  333184.9358  0.0032 -3.9419 3  347.1725 87  72503 303431627      421626        s-trans-Propenoic acid
  333227.7410  0.0506 -4.8708 3  501.2735 99  72503 303492524      492425        s-trans-Propenoic acid
  333227.7410  0.0506 -4.8708 3  501.2735 99  72503 303492525      492426        s-trans-Propenoic acid
  333264.9716  0.0029 -4.7206 3  169.8780 57  72503 30328 919      27 820        s-trans-Propenoic acid
  333291.8739  0.0248 -4.5219 3  518.6037 89  72503 303443113      433112        s-trans-Propenoic acid
  333291.8739  0.0248 -4.5219 3  518.6037 89  72503 303443114      433113        s-trans-Propenoic acid
  333306.4171  0.0296 -5.8286 3  772.6716147  72503 303731261      731262        s-trans-Propenoic acid
  333306.4219  0.0296 -5.3154 3  772.6716147  72503 303731261      731162        s-trans-Propenoic acid
  333306.4871  0.0296 -5.3154 3  772.6716147  72503 303731361      731262        s-trans-Propenoic acid
  333306.4919  0.0296 -5.8286 3  772.6716147  72503 303731361      731162        s-trans-Propenoic acid
  333337.6411  0.0030 -4.3880 3  338.4965 95  72503 30347 641      46 740        s-trans-Propenoic acid
  333337.7537  0.0030 -3.8427 3  338.4965 95  72503 30347 741      46 740        s-trans-Propenoic acid
  333337.8623  0.0030 -3.8427 3  338.4965 95  72503 30347 641      46 640        s-trans-Propenoic acid
  333337.9749  0.0030 -4.3880 3  338.4965 95  72503 30347 741      46 640        s-trans-Propenoic acid
  333380.9100  0.2531 -5.5652 3  980.9072155  72503 303772750      772651        s-trans-Propenoic acid
  333382.3628  0.0109 -5.1282 3  570.2653129  72503 30364 757      64 658        s-trans-Propenoic acid
  333382.3628  0.0109 -5.5884 3  570.2653129  72503 30364 757      64 758        s-trans-Propenoic acid
  333382.3628  0.0109 -5.5884 3  570.2653129  72503 30364 857      64 658        s-trans-Propenoic acid
  333382.3628  0.0109 -5.1282 3  570.2653129  72503 30364 857      64 758        s-trans-Propenoic acid
  333393.0575  0.2530 -5.5651 3  980.9067155  72503 303772751      772652        s-trans-Propenoic acid
  333465.1030  0.0175 -5.9088 3  340.5255 87  72503 303431529      431330        s-trans-Propenoic acid
  333497.5367  0.0229 -4.4658 3  504.5738 89  72503 303443014      433013        s-trans-Propenoic acid
  333497.5367  0.0229 -4.4658 3  504.5738 89  72503 303443015      433014        s-trans-Propenoic acid
  333589.2337  0.0518 -5.9823 3  868.4951155  72503 303771463      771464        s-trans-Propenoic acid
  333589.3088  0.0518 -5.4461 3  868.4951155  72503 303771463      771364        s-trans-Propenoic acid
  333590.1428  0.0518 -5.4460 3  868.4951155  72503 303771563      771464        s-trans-Propenoic acid
  333590.2179  0.0518 -5.9823 3  868.4951155  72503 303771563      771364        s-trans-Propenoic acid
  333625.5416  0.4242 -5.8804 3 1161.6969171  72503 303852857      852758        s-trans-Propenoic acid
  333627.6761  0.0394 -5.9022 3  819.9477151  72503 303751362      751363        s-trans-Propenoic acid
  333627.6958  0.0394 -5.3777 3  819.9477151  72503 303751362      751263        s-trans-Propenoic acid
  333627.9358  0.0394 -5.3777 3  819.9477151  72503 303751462      751363        s-trans-Propenoic acid
  333627.9554  0.0394 -5.9022 3  819.9477151  72503 303751462      751263        s-trans-Propenoic acid
  333657.7943  0.0028 -4.4380 3  334.6588 93  72503 30346 739      45 838        s-trans-Propenoic acid
  333661.3865  0.0028 -3.8463 3  334.6588 93  72503 30346 839      45 838        s-trans-Propenoic acid
  333664.5526  0.0028 -3.8463 3  334.6585 93  72503 30346 739      45 738        s-trans-Propenoic acid
  333668.1448  0.0028 -4.4379 3  334.6585 93  72503 30346 839      45 738        s-trans-Propenoic acid
  333686.6123  0.0026 -4.5876 3  324.9344 89  72503 30344 935      431034        s-trans-Propenoic acid
  333721.2324  0.0211 -4.4129 3  491.0115 89  72503 303442915      432914        s-trans-Propenoic acid
  333721.2324  0.0211 -4.4129 3  491.0115 89  72503 303442916      432915        s-trans-Propenoic acid
  333743.9162  0.0500 -4.8597 3  488.7828 97  72503 303482523      482424        s-trans-Propenoic acid
  333743.9162  0.0500 -4.8597 3  488.7828 97  72503 303482524      482425        s-trans-Propenoic acid
  333781.4112  0.6423 -6.1946 3 1335.7523185  72503 303922964      922865        s-trans-Propenoic acid
  333791.3823  0.4224 -5.8800 3 1161.6906171  72503 303852858      852759        s-trans-Propenoic acid
  333893.4348  0.0079 -5.9456 3  261.7477 73  72503 303361422      361225        s-trans-Propenoic acid
  333965.8398  0.0193 -4.3630 3  477.9179 89  72503 303442816      432815        s-trans-Propenoic acid
  333965.8398  0.0193 -4.3630 3  477.9179 89  72503 303442817      432816        s-trans-Propenoic acid
  333984.8243  0.1201 -5.2123 3  765.0058133  72503 303662640      662541        s-trans-Propenoic acid
  333984.8977  0.1201 -5.2123 3  765.0058133  72503 303662641      662542        s-trans-Propenoic acid
  334027.9064  0.0142 -5.7783 3  296.0678 81  72503 303401327      401030        s-trans-Propenoic acid
  334116.3667  0.1675 -5.8976 3 1152.1856177  72503 303881969      881870        s-trans-Propenoic acid
  334152.3781  0.0026 -4.4996 3  330.1598 91  72503 30345 837      44 936        s-trans-Propenoic acid
  334228.0857  0.0495 -4.8498 3  476.5547 95  72503 303472522      472423        s-trans-Propenoic acid
  334228.0857  0.0495 -4.8498 3  476.5547 95  72503 303472523      472424        s-trans-Propenoic acid
  334234.2165  0.1679 -5.8973 3 1152.1861177  72503 303882069      881970        s-trans-Propenoic acid
  334234.8237  0.0176 -4.3157 3  465.2942 89  72503 303442717      432716        s-trans-Propenoic acid
  334234.8237  0.0176 -4.3157 3  465.2942 89  72503 303442718      432717        s-trans-Propenoic acid
  334235.7692  0.0025 -3.8478 3  330.1598 91  72503 30345 937      44 936        s-trans-Propenoic acid
  334301.2535  0.0025 -3.8476 3  330.1548 91  72503 30345 837      44 836        s-trans-Propenoic acid
  334302.4937  0.0153 -5.9788 3  382.6618 95  72503 303471433      471236        s-trans-Propenoic acid
  334384.6446  0.0025 -4.4990 3  330.1548 91  72503 30345 937      44 836        s-trans-Propenoic acid
  334532.3912  0.0160 -4.2710 3  453.1420 89  72503 303442618      432617        s-trans-Propenoic acid
  334532.3912  0.0160 -4.2710 3  453.1420 89  72503 303442619      432618        s-trans-Propenoic acid
  334681.8568  0.0492 -4.8413 3  464.5888 93  72503 303462521      462422        s-trans-Propenoic acid
  334681.8568  0.0492 -4.8413 3  464.5888 93  72503 303462522      462423        s-trans-Propenoic acid
  334763.8590  0.0027 -3.9155 3  340.4822 87  72503 303431529      421528        s-trans-Propenoic acid
  334859.0973  0.0024 -3.8474 3  319.0116 87  72503 303431133      421132        s-trans-Propenoic acid
  334863.7021  0.0144 -4.2286 3  441.4630 89  72503 303442519      432518        s-trans-Propenoic acid
  334863.7021  0.0144 -4.2286 3  441.4630 89  72503 303442520      432519        s-trans-Propenoic acid
  334868.1366  0.0027 -3.9152 3  340.4859 87  72503 303431528      421527        s-trans-Propenoic acid
  334939.9691  0.0041 -5.4736 3  145.1773 51  72503 30325 817      24 618        s-trans-Propenoic acid
  335044.4736  0.0024 -3.8470 3  324.9344 89  72503 303441035      431034        s-trans-Propenoic acid
  335106.7571  0.0490 -4.8341 3  452.8846 91  72503 303452520      452421        s-trans-Propenoic acid
  335106.7571  0.0490 -4.8341 3  452.8846 91  72503 303452521      452422        s-trans-Propenoic acid
  335216.7634  0.1127 -5.1844 3  747.9954131  72503 303652639      652540        s-trans-Propenoic acid
  335216.7981  0.1127 -5.1844 3  747.9954131  72503 303652640      652541        s-trans-Propenoic acid
  335218.7850  0.0125 -5.1520 3  611.6933133  72503 30366 858      66 759        s-trans-Propenoic acid
  335218.7850  0.0125 -5.6218 3  611.6933133  72503 30366 858      66 859        s-trans-Propenoic acid
  335218.7851  0.0125 -5.6218 3  611.6933133  72503 30366 958      66 759        s-trans-Propenoic acid
  335218.7851  0.0125 -5.1520 3  611.6933133  72503 30366 958      66 859        s-trans-Propenoic acid
  335229.5759  0.0095 -5.1325 3  504.9607123  72503 30361 556      61 457        s-trans-Propenoic acid
  335229.5759  0.0095 -5.5730 3  504.9607123  72503 30361 556      61 557        s-trans-Propenoic acid
  335229.5759  0.0095 -5.5730 3  504.9607123  72503 30361 656      61 457        s-trans-Propenoic acid
  335229.5759  0.0095 -5.1325 3  504.9607123  72503 30361 656      61 557        s-trans-Propenoic acid
  335235.1565  0.0129 -4.1884 3  430.2594 89  72503 303442420      432419        s-trans-Propenoic acid
  335235.1565  0.0129 -4.1884 3  430.2594 89  72503 303442421      432420        s-trans-Propenoic acid
  335366.9518  0.2375 -5.5277 3  960.9024153  72503 303762749      762650        s-trans-Propenoic acid
  335373.4376  0.2375 -5.5277 3  960.9021153  72503 303762750      762651        s-trans-Propenoic acid
  335389.9760  0.2526 -6.1358 3 1290.3211187  72503 303932172      932073        s-trans-Propenoic acid
  335457.9226  0.0065 -4.7410 3  232.0793 71  72503 303351026      34 925        s-trans-Propenoic acid
  335504.2411  0.0490 -4.8284 3  441.4417 89  72503 303442519      442420        s-trans-Propenoic acid
  335504.2411  0.0490 -4.8284 3  441.4417 89  72503 303442520      442421        s-trans-Propenoic acid
  335572.4988  0.0028 -4.5892 3  173.6066 57  72503 303281019      27 918        s-trans-Propenoic acid
  335654.7991  0.0115 -4.1502 3  419.5339 89  72503 303442321      432320        s-trans-Propenoic acid
  335654.7991  0.0115 -4.1502 3  419.5339 89  72503 303442322      432321        s-trans-Propenoic acid
  335767.4501  0.1862 -5.9726 3  825.2311145  72503 303722151      712250        s-trans-Propenoic acid
  335819.6752  0.0111 -6.0165 3  232.0793 69  72503 303341222      34 925        s-trans-Propenoic acid
  335828.0525  0.0113 -4.2631 3  140.3015 33  72503 3031616 0      1515 1        s-trans-Propenoic acid
  335828.0525  0.0113 -4.2631 3  140.3015 33  72503 3031616 1      1515 0        s-trans-Propenoic acid
  335873.1864  0.2527 -6.1346 3 1290.3236187  72503 303932272      932173        s-trans-Propenoic acid
  335875.6956  0.0490 -4.8243 3  430.2594 87  72503 303432518      432419        s-trans-Propenoic acid
  335875.6956  0.0490 -4.8243 3  430.2594 87  72503 303432519      432420        s-trans-Propenoic acid
  335912.3511  0.0734 -6.0696 3  836.4311147  72503 303732054      722151        s-trans-Propenoic acid
  335916.7839  0.0079 -5.9661 3  252.3979 71  72503 303351422      351223        s-trans-Propenoic acid
  335944.4640  0.0025 -3.8444 3  324.8591 89  72503 30344 935      43 934        s-trans-Propenoic acid
  335984.7443  0.0035 -3.8190 3  299.0298 83  72503 303411130      401129        s-trans-Propenoic acid
  336110.4854  0.0089 -5.2208 3  442.6953117  72503 30358 355      58 256        s-trans-Propenoic acid
  336110.4854  0.0089 -5.6428 3  442.6953117  72503 30358 355      58 356        s-trans-Propenoic acid
  336110.4854  0.0089 -5.6428 3  442.6953117  72503 30358 455      58 256        s-trans-Propenoic acid
  336110.4854  0.0089 -5.2208 3  442.6953117  72503 30358 455      58 356        s-trans-Propenoic acid
  336132.8984  0.0101 -4.1140 3  409.2896 89  72503 303442222      432221        s-trans-Propenoic acid
  336132.8984  0.0101 -4.1140 3  409.2896 89  72503 303442223      432222        s-trans-Propenoic acid
  336135.9093  0.0130 -5.5721 3  383.5241111  72503 30355 154      55 055        s-trans-Propenoic acid
  336135.9093  0.0130 -5.9768 3  383.5241111  72503 30355 154      55 155        s-trans-Propenoic acid
  336135.9093  0.0130 -5.9768 3  383.5241111  72503 30355 254      55 055        s-trans-Propenoic acid
  336135.9093  0.0130 -5.5721 3  383.5241111  72503 30355 254      55 155        s-trans-Propenoic acid
  336186.4999  0.0125 -5.9647 3  252.9838 75  72503 303371027      37 730        s-trans-Propenoic acid
  336222.4440  0.0491 -4.8217 3  419.3375 85  72503 303422517      422418        s-trans-Propenoic acid
  336222.4440  0.0491 -4.8217 3  419.3375 85  72503 303422518      422419        s-trans-Propenoic acid
  336362.2635  0.1022 -6.1429 3  855.9737149  72503 303742055      732152        s-trans-Propenoic acid
  336366.1843  0.3987 -5.8358 3 1139.4854169  72503 303842856      842757        s-trans-Propenoic acid
  336380.7429  0.1059 -5.1576 3  731.2575129  72503 303642638      642539        s-trans-Propenoic acid
  336380.7591  0.1059 -5.1576 3  731.2575129  72503 303642639      642540        s-trans-Propenoic acid
  336395.2780  0.1372 -5.8013 3 1096.7764173  72503 303861868      861769        s-trans-Propenoic acid
  336406.9942  0.0026 -3.8259 3  307.1154 85  72503 303421032      411031        s-trans-Propenoic acid
  336414.2734  0.1378 -5.6726 3  659.2828129  72503 303641846      631945        s-trans-Propenoic acid
  336437.9651  0.1374 -5.8012 3 1096.7765173  72503 303861968      861869        s-trans-Propenoic acid
  336460.8216  0.3977 -5.8356 3 1139.4818169  72503 303842857      842758        s-trans-Propenoic acid
  336507.3555  0.6166 -6.1457 3 1311.6216183  72503 303912962      912863        s-trans-Propenoic acid
  336508.3316  0.1250 -6.0644 3  560.6123117  72503 303581841      581642        s-trans-Propenoic acid
  336545.7513  0.0493 -4.8210 3  408.6753 83  72503 303412516      412417        s-trans-Propenoic acid
  336545.7513  0.0493 -4.8210 3  408.6753 83  72503 303412517      412418        s-trans-Propenoic acid
  336655.6746  0.0183 -5.9007 3  387.9858 95  72503 303471532      471335        s-trans-Propenoic acid
  336679.8539  0.0026 -3.8902 3  334.3774 87  72503 303431430      421429        s-trans-Propenoic acid
  336682.8061  0.0087 -4.0796 3  399.5309 89  72503 303442123      432122        s-trans-Propenoic acid
  336682.8061  0.0087 -4.0796 3  399.5309 89  72503 303442124      432123        s-trans-Propenoic acid
  336798.0040  0.0148 -5.1859 3  654.4309137  72503 30368 959      68 860        s-trans-Propenoic acid
  336798.0040  0.0148 -5.6655 3  654.4309137  72503 30368 959      68 960        s-trans-Propenoic acid
  336798.0045  0.0148 -5.6655 3  654.4309137  72503 303681059      68 860        s-trans-Propenoic acid
  336798.0045  0.0148 -5.1859 3  654.4309137  72503 303681059      68 960        s-trans-Propenoic acid
  336846.8274  0.0495 -4.8222 3  398.2726 81  72503 303402515      402416        s-trans-Propenoic acid
  336846.8274  0.0495 -4.8222 3  398.2726 81  72503 303402516      402417        s-trans-Propenoic acid
  336872.6788  0.0078 -5.9640 3  252.3663 71  72503 303351421      351224        s-trans-Propenoic acid
  336878.7933  0.0163 -6.0630 3  353.1747 91  72503 303451332      451135        s-trans-Propenoic acid
  337069.6995  0.0084 -4.2968 3  141.9300 37  72503 3031815 3      1714 4        s-trans-Propenoic acid
  337069.6995  0.0084 -4.2968 3  141.9300 37  72503 3031815 4      1714 3        s-trans-Propenoic acid
  337111.0688  0.6070 -6.1441 3 1311.5981183  72503 303912963      912864        s-trans-Propenoic acid
  337126.8310  0.0498 -4.8254 3  388.1289 79  72503 303392514      392415        s-trans-Propenoic acid
  337126.8310  0.0498 -4.8254 3  388.1289 79  72503 303392515      392416        s-trans-Propenoic acid
  337131.4688  0.0175 -5.8918 3  375.6383 93  72503 303461531      461334        s-trans-Propenoic acid
  337237.8086  0.2230 -5.4913 3  941.1792151  72503 303752748      752649        s-trans-Propenoic acid
  337241.2240  0.2230 -5.4913 3  941.1791151  72503 303752749      752650        s-trans-Propenoic acid
  337302.3253  0.0026 -4.5776 3  324.8591 89  72503 303441035      43 934        s-trans-Propenoic acid
  337322.2790  0.0075 -4.0469 3  390.2631 89  72503 303442025      432024        s-trans-Propenoic acid
  337322.2795  0.0075 -4.0469 3  390.2631 89  72503 303442024      432023        s-trans-Propenoic acid
  337365.2779  0.0065 -5.3392 3  133.9240 49  72503 30324 618      23 519        s-trans-Propenoic acid
  337386.8727  0.0501 -4.8310 3  378.2438 77  72503 303382513      382414        s-trans-Propenoic acid
  337386.8727  0.0501 -4.8310 3  378.2438 77  72503 303382514      382415        s-trans-Propenoic acid
  337472.5498  0.0029 -3.8882 3  334.4107 87  72503 303431429      421428        s-trans-Propenoic acid
  337480.6706  0.0996 -5.1316 3  714.7915127  72503 303632637      632538        s-trans-Propenoic acid
  337480.6780  0.0996 -5.1316 3  714.7915127  72503 303632638      632539        s-trans-Propenoic acid
  337568.8625  0.0109 -5.1300 3  544.3715127  72503 30363 657      63 558        s-trans-Propenoic acid
  337568.8625  0.0109 -5.5797 3  544.3715127  72503 30363 657      63 658        s-trans-Propenoic acid
  337568.8625  0.0109 -5.5797 3  544.3715127  72503 30363 757      63 558        s-trans-Propenoic acid
  337568.8625  0.0109 -5.1300 3  544.3715127  72503 30363 757      63 658        s-trans-Propenoic acid
  337628.0175  0.0504 -4.8392 3  368.6168 75  72503 303372512      372413        s-trans-Propenoic acid
  337628.0175  0.0504 -4.8392 3  368.6168 75  72503 303372513      372414        s-trans-Propenoic acid
  337709.2959  0.2109 -6.1762 3  940.4337155  72503 303772354      762453        s-trans-Propenoic acid
  337851.2876  0.0508 -4.8504 3  359.2477 73  72503 303362511      362412        s-trans-Propenoic acid
  337851.2876  0.0508 -4.8504 3  359.2477 73  72503 303362512      362413        s-trans-Propenoic acid
  337985.9699  0.0189 -5.9151 3  400.5798 97  72503 303481533      481336        s-trans-Propenoic acid
  338057.6648  0.0512 -4.8649 3  350.1360 71  72503 303352510      352411        s-trans-Propenoic acid
  338057.6648  0.0512 -4.8649 3  350.1360 71  72503 303352511      352412        s-trans-Propenoic acid
  338075.6057  0.0063 -4.0158 3  381.4931 89  72503 303441926      431925        s-trans-Propenoic acid
  338075.6152  0.0063 -4.0158 3  381.4931 89  72503 303441925      431924        s-trans-Propenoic acid
  338084.4669  0.1113 -5.7102 3 1042.5943169  72503 303841767      841668        s-trans-Propenoic acid
  338099.2344  0.1114 -5.7102 3 1042.5943169  72503 303841867      841768        s-trans-Propenoic acid
  338107.2423  0.0184 -5.7182 3  698.4710141  72503 303701060      701061        s-trans-Propenoic acid
  338107.2425  0.0184 -5.2285 3  698.4710141  72503 303701060      70 961        s-trans-Propenoic acid
  338107.2445  0.0184 -5.2285 3  698.4710141  72503 303701160      701061        s-trans-Propenoic acid
  338107.2446  0.0184 -5.7182 3  698.4710141  72503 303701160      70 961        s-trans-Propenoic acid
  338233.4788  0.0026 -3.8521 3  323.8487 87  72503 303431232      421231        s-trans-Propenoic acid
  338248.0919  0.0515 -4.8833 3  341.2815 69  72503 3033425 9      342410        s-trans-Propenoic acid
  338248.0919  0.0515 -4.8833 3  341.2815 69  72503 303342510      342411        s-trans-Propenoic acid
  338266.3660  0.0061 -4.3323 3  145.0644 41  72503 3032014 6      1913 7        s-trans-Propenoic acid
  338266.3660  0.0061 -4.3323 3  145.0644 41  72503 3032014 7      1913 6        s-trans-Propenoic acid
  338276.8924  0.0053 -5.7191 3  111.2431 43  72503 30321 417      20 318        s-trans-Propenoic acid
  338335.5895  0.0053 -6.1006 3  111.2411 43  72503 30321 417      20 218        s-trans-Propenoic acid
  338354.9195  0.0502 -5.2421 3  464.8604107  72503 303531439      521538        s-trans-Propenoic acid
  338366.3795  0.0027 -3.8676 3  328.8676 87  72503 303431331      421330        s-trans-Propenoic acid
  338423.4755  0.0519 -4.9064 3  332.6837 67  72503 3033325 8      3324 9        s-trans-Propenoic acid
  338423.4755  0.0519 -4.9064 3  332.6837 67  72503 3033325 9      332410        s-trans-Propenoic acid
  338472.0681  0.0039 -5.6038 3  117.1411 43  72503 30321 715      20 416        s-trans-Propenoic acid
  338520.1404  0.0938 -5.1066 3  698.5963125  72503 303622636      622537        s-trans-Propenoic acid
  338520.1438  0.0938 -5.1066 3  698.5963125  72503 303622637      622538        s-trans-Propenoic acid
  338584.6867  0.0523 -4.9352 3  324.3423 65  72503 3033225 7      3224 8        s-trans-Propenoic acid
  338584.6867  0.0523 -4.9352 3  324.3423 65  72503 3033225 8      3224 9        s-trans-Propenoic acid
  338732.5632  0.0527 -4.9711 3  316.2570 63  72503 3033125 6      3124 7        s-trans-Propenoic acid
  338732.5632  0.0527 -4.9711 3  316.2570 63  72503 3033125 7      3124 8        s-trans-Propenoic acid
  338867.9102  0.0531 -5.0161 3  308.4276 61  72503 3033025 5      3024 6        s-trans-Propenoic acid
  338867.9102  0.0531 -5.0161 3  308.4276 61  72503 3033025 6      3024 7        s-trans-Propenoic acid
  338878.9538  0.2101 -6.0281 3 1231.8462183  72503 303912071      911972        s-trans-Propenoic acid
  338898.5041  0.0095 -5.1675 3  480.0608121  72503 30360 456      60 357        s-trans-Propenoic acid
  338898.5041  0.0095 -5.5983 3  480.0608121  72503 30360 456      60 457        s-trans-Propenoic acid
  338898.5041  0.0095 -5.5983 3  480.0608121  72503 30360 556      60 357        s-trans-Propenoic acid
  338898.5041  0.0095 -5.1675 3  480.0608121  72503 30360 556      60 457        s-trans-Propenoic acid
  338915.9980  0.0165 -5.8870 3  363.5455 91  72503 303451530      451333        s-trans-Propenoic acid
  338922.9387  0.3749 -5.7924 3 1117.5642167  72503 303832855      832756        s-trans-Propenoic acid
  338938.5191  0.0037 -5.8693 3  114.9583 41  72503 30320 813      19 614        s-trans-Propenoic acid
  338976.2214  0.3744 -5.7923 3 1117.5622167  72503 303832856      832757        s-trans-Propenoic acid
  338977.1992  0.0052 -3.9862 3  373.2306 89  72503 303441827      431826        s-trans-Propenoic acid
  338977.3461  0.0052 -3.9862 3  373.2306 89  72503 303441826      431825        s-trans-Propenoic acid
  338991.5019  0.0535 -5.0737 3  300.8536 59  72503 3032925 4      2924 5        s-trans-Propenoic acid
  338991.5019  0.0535 -5.0737 3  300.8536 59  72503 3032925 5      2924 6        s-trans-Propenoic acid
  339002.3654  0.2093 -5.4559 3  921.7364149  72503 303742747      742648        s-trans-Propenoic acid
  339004.1391  0.2093 -5.4558 3  921.7363149  72503 303742748      742649        s-trans-Propenoic acid
  339030.0720  0.0051 -5.9932 3  103.1600 41  72503 30320 317      19 218        s-trans-Propenoic acid
  339066.9896  0.2106 -6.0276 3 1231.8471183  72503 303912171      912072        s-trans-Propenoic acid
  339100.2341  0.0213 -4.9782 3  387.9858 97  72503 303481236      471335        s-trans-Propenoic acid
  339104.0824  0.0539 -5.1491 3  293.5348 57  72503 3032825 3      2824 4        s-trans-Propenoic acid
  339104.0824  0.0539 -5.1491 3  293.5348 57  72503 3032825 4      2824 5        s-trans-Propenoic acid
  339107.2349  0.0600 -6.0474 3  754.3090 91  72503 3034544 1      4444 0        s-trans-Propenoic acid
  339107.2349  0.0600 -6.0474 3  754.3090 91  72503 3034544 2      4444 1        s-trans-Propenoic acid
  339125.7647  0.0077 -5.9865 3  243.2811 69  72503 303341421      341222        s-trans-Propenoic acid
  339131.7537  0.0239 -5.7787 3  743.8064145  72503 303721161      721162        s-trans-Propenoic acid
  339131.7542  0.0239 -5.2787 3  743.8064145  72503 303721161      721062        s-trans-Propenoic acid
  339131.7629  0.0239 -5.2787 3  743.8064145  72503 303721261      721162        s-trans-Propenoic acid
  339131.7635  0.0239 -5.7787 3  743.8064145  72503 303721261      721062        s-trans-Propenoic acid
  339204.9849  0.0061 -5.6918 3  133.8626 49  72503 30324 618      23 419        s-trans-Propenoic acid
  339206.3665  0.0543 -5.2527 3  286.4710 55  72503 3032725 2      2724 3        s-trans-Propenoic acid
  339206.3665  0.0543 -5.2527 3  286.4710 55  72503 3032725 3      2724 4        s-trans-Propenoic acid
  339213.9875  0.0570 -5.7092 3  734.2573 91  72503 3034543 2      4443 1        s-trans-Propenoic acid
  339213.9875  0.0570 -5.7092 3  734.2573 91  72503 3034543 3      4443 2        s-trans-Propenoic acid
  339217.3328  0.0066 -6.1877 3  181.0198 59  72503 303291020      29 723        s-trans-Propenoic acid
  339218.4599  0.0052 -3.8039 3  360.1691107  72503 30353 152      52 151        s-trans-Propenoic acid
  339218.4599  0.0052 -4.2084 3  360.1691107  72503 30353 152      52 251        s-trans-Propenoic acid
  339218.4599  0.0052 -4.2084 3  360.1691107  72503 30353 252      52 151        s-trans-Propenoic acid
  339218.4599  0.0052 -3.8039 3  360.1691107  72503 30353 252      52 251        s-trans-Propenoic acid
  339220.9965  0.0046 -3.8134 3  359.1361105  72503 30352 250      51 249        s-trans-Propenoic acid
  339220.9965  0.0046 -4.2381 3  359.1361105  72503 30352 250      51 349        s-trans-Propenoic acid
  339220.9965  0.0046 -4.2381 3  359.1361105  72503 30352 350      51 249        s-trans-Propenoic acid
  339220.9965  0.0046 -3.8134 3  359.1361105  72503 30352 350      51 349        s-trans-Propenoic acid
  339221.4155  0.0063 -3.7936 3  360.6863109  72503 30354 054      53 053        s-trans-Propenoic acid
  339221.4155  0.0063 -4.1801 3  360.6863109  72503 30354 054      53 153        s-trans-Propenoic acid
  339221.4155  0.0063 -4.1801 3  360.6863109  72503 30354 154      53 053        s-trans-Propenoic acid
  339221.4155  0.0063 -3.7936 3  360.6863109  72503 30354 154      53 153        s-trans-Propenoic acid
  339237.0155  0.0043 -3.8218 3  357.5783103  72503 30351 348      50 347        s-trans-Propenoic acid
  339237.0155  0.0043 -4.2694 3  357.5783103  72503 30351 348      50 447        s-trans-Propenoic acid
  339237.0155  0.0043 -4.2694 3  357.5783103  72503 30351 448      50 347        s-trans-Propenoic acid
  339237.0155  0.0043 -3.8218 3  357.5783103  72503 30351 448      50 447        s-trans-Propenoic acid
  339263.6081  0.0891 -6.1815 3  989.6497165  72503 303821666      821667        s-trans-Propenoic acid
  339264.1202  0.0891 -5.6244 3  989.6496165  72503 303821666      821567        s-trans-Propenoic acid
  339268.9945  0.0891 -5.6244 3  989.6497165  72503 303821766      821667        s-trans-Propenoic acid
  339269.5066  0.0891 -6.1815 3  989.6496165  72503 303821766      821567        s-trans-Propenoic acid
  339278.7959  0.0039 -4.3031 3  355.4838101  72503 30350 446      49 545        s-trans-Propenoic acid
  339278.7959  0.0039 -3.8293 3  355.4838101  72503 30350 546      49 545        s-trans-Propenoic acid
  339278.7960  0.0039 -3.8293 3  355.4838101  72503 30350 446      49 445        s-trans-Propenoic acid
  339278.7960  0.0039 -4.3031 3  355.4838101  72503 30350 546      49 445        s-trans-Propenoic acid
  339299.0407  0.0547 -5.4075 3  279.6618 53  72503 3032625 1      2624 2        s-trans-Propenoic acid
  339299.0407  0.0547 -5.4075 3  279.6618 53  72503 3032625 2      2624 3        s-trans-Propenoic acid
  339324.4533  0.0542 -5.4970 3  714.6669 91  72503 3034542 3      4442 2        s-trans-Propenoic acid
  339324.4533  0.0542 -5.4970 3  714.6669 91  72503 3034542 4      4442 3        s-trans-Propenoic acid
  339330.9873  0.0109 -5.3378 3  418.8177115  72503 30357 255      57 156        s-trans-Propenoic acid
  339330.9873  0.0109 -5.7509 3  418.8177115  72503 30357 255      57 256        s-trans-Propenoic acid
  339330.9873  0.0109 -5.7509 3  418.8177115  72503 30357 355      57 156        s-trans-Propenoic acid
  339330.9873  0.0109 -5.3378 3  418.8177115  72503 30357 355      57 256        s-trans-Propenoic acid
  339334.3853  0.0043 -4.3721 3  149.7291 45  72503 303221310      2112 9        s-trans-Propenoic acid
  339334.3897  0.0043 -4.3721 3  149.7291 45  72503 3032213 9      211210        s-trans-Propenoic acid
  339365.8233  0.0036 -4.3398 3  352.8368 99  72503 30349 544      48 643        s-trans-Propenoic acid
  339365.8246  0.0036 -3.8356 3  352.8368 99  72503 30349 644      48 643        s-trans-Propenoic acid
  339365.8259  0.0036 -3.8356 3  352.8368 99  72503 30349 544      48 543        s-trans-Propenoic acid
  339365.8272  0.0036 -4.3398 3  352.8368 99  72503 30349 644      48 543        s-trans-Propenoic acid
  339382.7638  0.0551 -5.6874 3  273.1070 51  72503 3032525 0      2524 1        s-trans-Propenoic acid
  339382.7638  0.0551 -5.6874 3  273.1070 51  72503 3032525 1      2524 2        s-trans-Propenoic acid
  339396.2620  0.0062 -4.7291 3  222.7948 69  72503 303341025      33 924        s-trans-Propenoic acid
  339439.0988  0.0514 -5.3370 3  695.5381 91  72503 3034541 4      4441 3        s-trans-Propenoic acid
  339439.0988  0.0514 -5.3370 3  695.5381 91  72503 3034541 5      4441 4        s-trans-Propenoic acid
  339502.4705  0.0885 -5.0826 3  682.6712123  72503 303612635      612536        s-trans-Propenoic acid
  339502.4720  0.0885 -5.0826 3  682.6712123  72503 303612636      612537        s-trans-Propenoic acid
  339530.3980  0.0033 -4.3810 3  349.6154 97  72503 30348 642      47 741        s-trans-Propenoic acid
  339530.4551  0.0033 -3.8406 3  349.6154 97  72503 30348 742      47 741        s-trans-Propenoic acid
  339530.5107  0.0033 -3.8406 3  349.6154 97  72503 30348 642      47 641        s-trans-Propenoic acid
  339530.5677  0.0033 -4.3810 3  349.6154 97  72503 30348 742      47 641        s-trans-Propenoic acid
  339558.4506  0.0487 -5.2060 3  676.8712 91  72503 3034540 5      4440 4        s-trans-Propenoic acid
  339558.4506  0.0487 -5.2060 3  676.8712 91  72503 3034540 6      4440 5        s-trans-Propenoic acid
  339629.9300  0.0077 -5.9853 3  243.2644 69  72503 303341420      341223        s-trans-Propenoic acid
  339677.2210  0.0124 -5.1430 3  585.1058131  72503 30365 758      65 659        s-trans-Propenoic acid
  339677.2210  0.0124 -5.6019 3  585.1058131  72503 30365 758      65 759        s-trans-Propenoic acid
  339677.2211  0.0124 -5.6019 3  585.1058131  72503 30365 858      65 659        s-trans-Propenoic acid
  339677.2211  0.0124 -5.1430 3  585.1058131  72503 30365 858      65 759        s-trans-Propenoic acid
  339683.1046  0.0460 -5.0937 3  658.6666 91  72503 3034539 6      4439 5        s-trans-Propenoic acid
  339683.1046  0.0460 -5.0937 3  658.6666 91  72503 3034539 7      4439 6        s-trans-Propenoic acid
  339813.7379  0.0434 -4.9947 3  640.9245 91  72503 3034538 7      4438 6        s-trans-Propenoic acid
  339813.7379  0.0434 -4.9947 3  640.9245 91  72503 3034538 8      4438 7        s-trans-Propenoic acid
  339827.6045  0.0030 -4.4286 3  345.7885 95  72503 30347 740      46 839        s-trans-Propenoic acid
  339829.5006  0.0030 -3.8440 3  345.7885 95  72503 30347 840      46 839        s-trans-Propenoic acid
  339831.1967  0.0030 -3.8440 3  345.7884 95  72503 30347 740      46 739        s-trans-Propenoic acid
  339833.0928  0.0030 -4.4286 3  345.7884 95  72503 30347 840      46 739        s-trans-Propenoic acid
  339839.5360  0.1062 -6.0522 3  863.5057149  72503 303742154      732251        s-trans-Propenoic acid
  339854.4107  0.0316 -5.8464 3  790.4299149  72503 303741262      741263        s-trans-Propenoic acid
  339854.4132  0.0316 -5.3358 3  790.4299149  72503 303741262      741163        s-trans-Propenoic acid
  339854.4478  0.0316 -5.3358 3  790.4299149  72503 303741362      741263        s-trans-Propenoic acid
  339854.4503  0.0316 -5.8464 3  790.4299149  72503 303741362      741163        s-trans-Propenoic acid
  339861.1559  0.0113 -4.8282 3  358.4322 93  72503 303461135      451234        s-trans-Propenoic acid
  339911.7029  0.5785 -6.0956 3 1287.7535181  72503 303902961      902862        s-trans-Propenoic acid
  339951.1224  0.0409 -4.9056 3  623.6454 91  72503 3034537 8      4437 7        s-trans-Propenoic acid
  339951.1224  0.0409 -4.9056 3  623.6454 91  72503 3034537 9      4437 8        s-trans-Propenoic acid
  339953.6972  0.0050 -5.9916 3  103.1599 41  72503 30320 417      19 118        s-trans-Propenoic acid
  339976.2564  0.0032 -4.6048 3  180.9945 59  72503 303291020      28 919        s-trans-Propenoic acid
  339983.6411  0.0356 -5.9294 3  406.6871 97  72503 303481633      481434        s-trans-Propenoic acid
  339991.4021  0.0702 -6.0886 3  937.9521161  72503 303801565      801566        s-trans-Propenoic acid
  339991.5493  0.0703 -5.5439 3  937.9521161  72503 303801565      801466        s-trans-Propenoic acid
  339993.0818  0.0703 -5.5439 3  937.9521161  72503 303801665      801566        s-trans-Propenoic acid
  339993.2289  0.0703 -6.0886 3  937.9521161  72503 303801665      801466        s-trans-Propenoic acid
  340014.7242  0.0025 -4.4841 3  163.8503 53  72503 303261116      251015        s-trans-Propenoic acid
  340077.7029  0.0043 -3.9580 3  365.4885 89  72503 303441728      431727        s-trans-Propenoic acid
  340079.6384  0.0043 -3.9580 3  365.4885 89  72503 303441727      431726        s-trans-Propenoic acid
  340086.7117  0.0030 -4.4202 3  155.9653 49  72503 303241213      231112        s-trans-Propenoic acid
  340087.8349  0.0030 -4.4202 3  155.9653 49  72503 303241212      231113        s-trans-Propenoic acid
  340096.1413  0.0384 -4.8244 3  606.8298 91  72503 3034536 9      4436 8        s-trans-Propenoic acid
  340096.1413  0.0384 -4.8244 3  606.8298 91  72503 303453610      4436 9        s-trans-Propenoic acid
  340127.9681  0.0025 -4.4839 3  163.8471 53  72503 303261115      251016        s-trans-Propenoic acid
  340152.8466  0.0026 -4.5808 3  173.4820 57  72503 303281018      27 919        s-trans-Propenoic acid
  340249.8099  0.0360 -4.7496 3  590.4780 91  72503 303453510      4435 9        s-trans-Propenoic acid
  340249.8099  0.0360 -4.7496 3  590.4780 91  72503 303453511      443510        s-trans-Propenoic acid
  340255.1646  0.0417 -5.9209 3  838.3340153  72503 303761363      761364        s-trans-Propenoic acid
  340255.1749  0.0417 -5.3993 3  838.3340153  72503 303761363      761264        s-trans-Propenoic acid
  340255.3046  0.0417 -5.3993 3  838.3340153  72503 303761463      761364        s-trans-Propenoic acid
  340255.3149  0.0417 -5.9209 3  838.3340153  72503 303761463      761264        s-trans-Propenoic acid
  340269.3765  0.5731 -6.0947 3 1287.7397181  72503 303902962      902863        s-trans-Propenoic acid
  340310.3071  0.0545 -6.0017 3  887.5107157  72503 303781464      781465        s-trans-Propenoic acid
  340310.3472  0.0545 -5.4688 3  887.5107157  72503 303781464      781365        s-trans-Propenoic acid
  340310.8050  0.0546 -5.4688 3  887.5107157  72503 303781564      781465        s-trans-Propenoic acid
  340310.8452  0.0546 -6.0017 3  887.5107157  72503 303781564      781365        s-trans-Propenoic acid
  340314.7603  0.0028 -4.4866 3  341.3087 93  72503 30346 838      45 937        s-trans-Propenoic acid
  340361.0177  0.0028 -3.8455 3  341.3087 93  72503 30346 938      45 937        s-trans-Propenoic acid
  340373.8171  0.0027 -4.5658 3  336.1103 91  72503 30345 936      441035        s-trans-Propenoic acid
  340398.1514  0.0028 -3.8454 3  341.3059 93  72503 30346 838      45 837        s-trans-Propenoic acid
  340407.3376  0.0044 -3.8339 3  313.5381 85  72503 303421230      411229        s-trans-Propenoic acid
  340413.2995  0.0337 -4.6801 3  574.5906 91  72503 303453411      443410        s-trans-Propenoic acid
  340413.2995  0.0337 -4.6801 3  574.5906 91  72503 303453412      443411        s-trans-Propenoic acid
  340430.7338  0.0838 -5.0594 3  667.0155121  72503 303602634      602535        s-trans-Propenoic acid
  340430.7345  0.0838 -5.0594 3  667.0155121  72503 303602635      602536        s-trans-Propenoic acid
  340444.4088  0.0028 -4.4863 3  341.3059 93  72503 30346 938      45 837        s-trans-Propenoic acid
  340587.9685  0.0315 -4.6153 3  559.1682 91  72503 303453312      443311        s-trans-Propenoic acid
  340587.9685  0.0315 -4.6153 3  559.1682 91  72503 303453313      443312        s-trans-Propenoic acid
  340668.3277  0.1965 -5.4214 3  902.5726147  72503 303732746      732647        s-trans-Propenoic acid
  340669.2360  0.1965 -5.4214 3  902.5725147  72503 303732747      732648        s-trans-Propenoic acid
  340735.8827  0.0036 -5.4080 3  151.9209 53  72503 30326 818      25 619        s-trans-Propenoic acid
  340775.4000  0.0293 -4.5545 3  544.2115 91  72503 303453213      443212        s-trans-Propenoic acid
  340775.4000  0.0293 -4.5545 3  544.2115 91  72503 303453214      443213        s-trans-Propenoic acid
  340967.3307  0.0696 -5.9840 3  480.0471107  72503 303531737      531538        s-trans-Propenoic acid
  340977.4491  0.0271 -4.4973 3  529.7212 91  72503 303453114      443113        s-trans-Propenoic acid
  340977.4491  0.0271 -4.4973 3  529.7212 91  72503 303453115      443114        s-trans-Propenoic acid
  341177.8159  0.0026 -3.8445 3  336.1103 91  72503 303451036      441035        s-trans-Propenoic acid
  341196.3030  0.0251 -4.4434 3  515.6981 91  72503 303453015      443014        s-trans-Propenoic acid
  341196.3030  0.0251 -4.4434 3  515.6981 91  72503 303453016      443015        s-trans-Propenoic acid
  341297.1687  0.0027 -3.8275 3  318.3368 87  72503 303431033      421032        s-trans-Propenoic acid
  341307.7856  0.0795 -5.0373 3  651.6285119  72503 303592633      592534        s-trans-Propenoic acid
  341307.7858  0.0795 -5.0373 3  651.6285119  72503 303592634      592535        s-trans-Propenoic acid
  341317.2604  0.3528 -5.7501 3 1095.9312165  72503 303822854      822755        s-trans-Propenoic acid
  341329.0966  0.0150 -5.9046 3  329.0967 85  72503 303421528      421329        s-trans-Propenoic acid
  341346.8624  0.3525 -5.7500 3 1095.9301165  72503 303822855      822756        s-trans-Propenoic acid
  341434.5570  0.0231 -4.3923 3  502.1432 91  72503 303452916      442915        s-trans-Propenoic acid
  341434.5570  0.0231 -4.3923 3  502.1432 91  72503 303452917      442916        s-trans-Propenoic acid
  341448.8128  0.0025 -3.8434 3  330.1813 89  72503 303441134      431133        s-trans-Propenoic acid
  341451.4754  0.0035 -3.9309 3  358.2856 89  72503 303441629      431628        s-trans-Propenoic acid
  341472.8156  0.0035 -3.9308 3  358.2863 89  72503 303441628      431627        s-trans-Propenoic acid
  341475.2499  0.0109 -5.1454 3  518.7633125  72503 30362 557      62 458        s-trans-Propenoic acid
  341475.2499  0.0109 -5.5850 3  518.7633125  72503 30362 557      62 558        s-trans-Propenoic acid
  341475.2499  0.0109 -5.5850 3  518.7633125  72503 30362 657      62 458        s-trans-Propenoic acid
  341475.2499  0.0109 -5.1454 3  518.7633125  72503 30362 657      62 558        s-trans-Propenoic acid
  341545.4487  0.0141 -5.1681 3  627.1571135  72503 30367 859      67 760        s-trans-Propenoic acid
  341545.4487  0.0141 -5.6364 3  627.1571135  72503 30367 859      67 860        s-trans-Propenoic acid
  341545.4488  0.0141 -5.6364 3  627.1571135  72503 30367 959      67 760        s-trans-Propenoic acid
  341545.4488  0.0141 -5.1681 3  627.1571135  72503 30367 959      67 860        s-trans-Propenoic acid
  341576.5360  0.1739 -5.9258 3 1174.5784179  72503 303891970      891871        s-trans-Propenoic acid
  341589.9105  0.0154 -5.8854 3  351.7153 89  72503 303441529      441332        s-trans-Propenoic acid
  341646.5054  0.1743 -5.9257 3 1174.5787179  72503 303892070      891971        s-trans-Propenoic acid
  341692.6998  0.0195 -5.9367 3  413.4118 99  72503 303491534      491337        s-trans-Propenoic acid
  341695.3137  0.0212 -4.3440 3  489.0578 91  72503 303452817      442816        s-trans-Propenoic acid
  341695.3137  0.0212 -4.3440 3  489.0578 91  72503 303452818      442817        s-trans-Propenoic acid
  341731.6784  0.0026 -3.8430 3  336.0650 91  72503 30345 936      44 935        s-trans-Propenoic acid
  341891.4646  0.0077 -6.0103 3  234.4496 67  72503 303331420      331221        s-trans-Propenoic acid
  341909.8266  0.1666 -5.7653 3  718.1660135  72503 303671948      662047        s-trans-Propenoic acid
  341982.3122  0.0193 -4.2982 3  476.4431 91  72503 303452718      442717        s-trans-Propenoic acid
  341982.3122  0.0193 -4.2982 3  476.4431 91  72503 303452719      442718        s-trans-Propenoic acid
  342040.3256  0.0045 -4.6743 3  341.5708 91  72503 303451035      441134        s-trans-Propenoic acid
  342136.2859  0.0756 -5.0161 3  636.5093117  72503 303582632      582533        s-trans-Propenoic acid
  342136.2860  0.0756 -5.0161 3  636.5093117  72503 303582633      582534        s-trans-Propenoic acid
  342149.1845  0.0077 -6.0097 3  234.4411 67  72503 303331419      331222        s-trans-Propenoic acid
  342242.4742  0.1844 -5.3878 3  883.6866145  72503 303722745      722646        s-trans-Propenoic acid
  342242.9328  0.1844 -5.3878 3  883.6865145  72503 303722746      722647        s-trans-Propenoic acid
  342300.0992  0.0175 -4.2547 3  464.3008 91  72503 303452619      442618        s-trans-Propenoic acid
  342300.0992  0.0175 -4.2547 3  464.3008 91  72503 303452620      442619        s-trans-Propenoic acid
  342329.9424  0.0103 -5.2316 3  455.4613119  72503 30359 356      59 257        s-trans-Propenoic acid
  342329.9424  0.0103 -5.6531 3  455.4613119  72503 30359 356      59 357        s-trans-Propenoic acid
  342329.9424  0.0103 -5.6531 3  455.4613119  72503 30359 456      59 257        s-trans-Propenoic acid
  342329.9424  0.0103 -5.2316 3  455.4613119  72503 30359 456      59 357        s-trans-Propenoic acid
  342347.0105  0.0143 -5.5809 3  395.2539113  72503 30356 155      56 056        s-trans-Propenoic acid
  342347.0105  0.0143 -5.9854 3  395.2539113  72503 30356 155      56 156        s-trans-Propenoic acid
  342347.0105  0.0143 -5.9854 3  395.2539113  72503 30356 255      56 056        s-trans-Propenoic acid
  342347.0105  0.0143 -5.5809 3  395.2539113  72503 30356 255      56 156        s-trans-Propenoic acid
  342535.6772  0.0027 -4.5599 3  336.0650 91  72503 303451036      44 935        s-trans-Propenoic acid
  342539.7487  0.0057 -4.7079 3  213.7954 67  72503 303331024      32 923        s-trans-Propenoic acid
  342627.8527  0.0040 -3.8568 3  329.0967 87  72503 303431330      421329        s-trans-Propenoic acid
  342654.2618  0.0158 -4.2134 3  452.6329 91  72503 303452520      442519        s-trans-Propenoic acid
  342654.2618  0.0158 -4.2134 3  452.6329 91  72503 303452521      442520        s-trans-Propenoic acid
  342712.7941  0.0149 -5.6837 3  352.9801 91  72503 303451332      451035        s-trans-Propenoic acid
  342918.7200  0.0722 -4.9959 3  621.6574115  72503 303572631      572532        s-trans-Propenoic acid
  342918.7201  0.0722 -4.9959 3  621.6574115  72503 303572632      572533        s-trans-Propenoic acid
  343007.7891  0.1447 -6.1178 3  911.3138153  72503 303762255      752352        s-trans-Propenoic acid
  343047.0503  0.5440 -6.0470 3 1264.1835179  72503 303892960      892861        s-trans-Propenoic acid
  343051.7458  0.0141 -4.1741 3  441.4417 91  72503 303452421      442420        s-trans-Propenoic acid
  343051.7458  0.0141 -4.1741 3  441.4417 91  72503 303452422      442421        s-trans-Propenoic acid
  343083.0396  0.0037 -4.6260 3  188.7018 61  72503 303301021      29 920        s-trans-Propenoic acid
  343124.0792  0.0037 -5.7736 3  122.6952 45  72503 30322 716      21 517        s-trans-Propenoic acid
  343127.6510  0.0063 -5.1517 3  149.5432 53  72503 30326 719      25 620        s-trans-Propenoic acid
  343163.0622  0.0165 -5.2033 3  670.5184139  72503 30369 960      69 861        s-trans-Propenoic acid
  343163.0622  0.0165 -5.6812 3  670.5184139  72503 30369 960      69 961        s-trans-Propenoic acid
  343163.0625  0.0165 -5.6812 3  670.5184139  72503 303691060      69 861        s-trans-Propenoic acid
  343163.0625  0.0165 -5.2033 3  670.5184139  72503 303691060      69 961        s-trans-Propenoic acid
  343179.7121  0.0030 -3.9048 3  351.6487 89  72503 303441530      431529        s-trans-Propenoic acid
  343256.0841  0.5410 -6.0465 3 1264.1755179  72503 303892961      892862        s-trans-Propenoic acid
  343326.1394  0.0047 -6.0936 3  111.2431 43  72503 30321 517      20 318        s-trans-Propenoic acid
  343348.8009  0.2608 -6.1661 3 1314.2001189  72503 303942173      942074        s-trans-Propenoic acid
  343371.4877  0.0031 -3.9043 3  351.6559 89  72503 303441529      431528        s-trans-Propenoic acid
  343378.0836  0.0111 -4.2544 3  144.3374 35  72503 3031716 1      1615 2        s-trans-Propenoic acid
  343378.0836  0.0111 -4.2544 3  144.3374 35  72503 3031716 2      1615 1        s-trans-Propenoic acid
  343384.8365  0.0047 -5.7127 3  111.2411 43  72503 30321 517      20 218        s-trans-Propenoic acid
  343501.3069  0.0125 -4.1368 3  430.7301 91  72503 303452322      442321        s-trans-Propenoic acid
  343501.3069  0.0125 -4.1368 3  430.7301 91  72503 303452323      442322        s-trans-Propenoic acid
  343565.9972  0.3320 -5.7088 3 1074.5844163  72503 303812853      812754        s-trans-Propenoic acid
  343582.2265  0.3319 -5.7088 3 1074.5838163  72503 303812854      812755        s-trans-Propenoic acid
  343633.1724  0.1429 -5.8288 3 1118.5297175  72503 303871869      871770        s-trans-Propenoic acid
  343644.2512  0.2613 -6.1654 3 1314.2016189  72503 303942273      942174        s-trans-Propenoic acid
  343657.4154  0.0693 -4.9767 3  607.0720113  72503 303562630      562531        s-trans-Propenoic acid
  343657.4154  0.0693 -4.9767 3  607.0720113  72503 303562631      562532        s-trans-Propenoic acid
  343658.0712  0.1430 -5.8287 3 1118.5298175  72503 303871969      871870        s-trans-Propenoic acid
  343730.8361  0.1731 -5.3552 3  865.0773143  72503 303712744      712645        s-trans-Propenoic acid
  343731.0644  0.1731 -5.3552 3  865.0772143  72503 303712745      712646        s-trans-Propenoic acid
  343812.3418  0.0144 -5.8675 3  287.5615 81  72503 303401129      40 832        s-trans-Propenoic acid
  343833.9023  0.0124 -5.1443 3  558.7962129  72503 30364 658      64 559        s-trans-Propenoic acid
  343833.9023  0.0124 -5.5928 3  558.7962129  72503 30364 658      64 659        s-trans-Propenoic acid
  343833.9023  0.0124 -5.5928 3  558.7962129  72503 30364 758      64 559        s-trans-Propenoic acid
  343833.9023  0.0124 -5.1443 3  558.7962129  72503 30364 758      64 659        s-trans-Propenoic acid
  344014.1611  0.0110 -4.1014 3  420.5018 91  72503 303452223      442222        s-trans-Propenoic acid
  344014.1611  0.0110 -4.1014 3  420.5018 91  72503 303452224      442223        s-trans-Propenoic acid
  344051.7287  0.2158 -6.0715 3  891.5533151  72503 303752253      742352        s-trans-Propenoic acid
  344151.5324  0.0034 -3.8103 3  310.2371 85  72503 303421131      411130        s-trans-Propenoic acid
  344303.0447  0.0078 -6.0375 3  225.8992 65  72503 303321419      321220        s-trans-Propenoic acid
  344354.5568  0.0667 -4.9585 3  592.7526111  72503 303552629      552530        s-trans-Propenoic acid
  344354.5568  0.0667 -4.9585 3  592.7526111  72503 303552630      552531        s-trans-Propenoic acid
  344385.5425  0.0050 -4.6808 3  205.1043 65  72503 303321023      31 922        s-trans-Propenoic acid
  344430.6624  0.0078 -6.0372 3  225.8950 65  72503 303321418      321221        s-trans-Propenoic acid
  344518.0695  0.0202 -5.7349 3  715.1830143  72503 303711061      711062        s-trans-Propenoic acid
  344518.0696  0.0202 -5.2472 3  715.1830143  72503 303711061      71 962        s-trans-Propenoic acid
  344518.0706  0.0202 -5.2472 3  715.1830143  72503 303711161      711062        s-trans-Propenoic acid
  344518.0707  0.0202 -5.7349 3  715.1830143  72503 303711161      71 962        s-trans-Propenoic acid
  344599.2930  0.0043 -4.6522 3  196.7376 63  72503 303311022      30 921        s-trans-Propenoic acid
  344604.9601  0.0095 -4.0677 3  410.7614 91  72503 303452124      442123        s-trans-Propenoic acid
  344604.9601  0.0095 -4.0677 3  410.7614 91  72503 303452125      442124        s-trans-Propenoic acid
  344611.2717  0.0082 -4.2879 3  146.4795 39  72503 3031915 4      1814 5        s-trans-Propenoic acid
  344611.2717  0.0082 -4.2879 3  146.4795 39  72503 3031915 5      1814 4        s-trans-Propenoic acid
  344810.6983  0.0142 -5.8867 3  340.1543 87  72503 303431528      431331        s-trans-Propenoic acid
  345012.1999  0.0645 -4.9413 3  578.6986109  72503 303542628      542529        s-trans-Propenoic acid
  345012.1999  0.0645 -4.9413 3  578.6986109  72503 303542629      542530        s-trans-Propenoic acid
  345127.6031  0.0110 -5.1797 3  493.4485123  72503 30361 457      61 358        s-trans-Propenoic acid
  345127.6031  0.0110 -5.6098 3  493.4485123  72503 30361 457      61 458        s-trans-Propenoic acid
  345127.6031  0.0110 -5.6098 3  493.4485123  72503 30361 557      61 358        s-trans-Propenoic acid
  345127.6031  0.0110 -5.1797 3  493.4485123  72503 30361 557      61 458        s-trans-Propenoic acid
  345138.8279  0.1626 -5.3235 3  846.7436141  72503 303702743      702644        s-trans-Propenoic acid
  345138.9399  0.1626 -5.3235 3  846.7436141  72503 303702744      702645        s-trans-Propenoic acid
  345145.2449  0.1161 -5.7369 3 1063.7110171  72503 303851768      851669        s-trans-Propenoic acid
  345153.7129  0.1161 -5.7369 3 1063.7110171  72503 303851868      851769        s-trans-Propenoic acid
  345170.3389  0.0029 -3.8799 3  345.6078 89  72503 303441431      431430        s-trans-Propenoic acid
  345197.5779  0.0146 -5.8547 3  285.2140 79  72503 303391326      391029        s-trans-Propenoic acid
  345278.7178  0.0180 -5.6540 3  369.7688 93  72503 303461432      461135        s-trans-Propenoic acid
  345293.3058  0.0081 -4.0356 3  401.5149 91  72503 303452026      442025        s-trans-Propenoic acid
  345293.3071  0.0081 -4.0356 3  401.5149 91  72503 303452025      442024        s-trans-Propenoic acid
  345344.0341  0.0069 -6.1585 3  188.6264 61  72503 303301021      30 724        s-trans-Propenoic acid
  345431.6984  0.0713 -5.3361 3  513.5766113  72503 303561541      551640        s-trans-Propenoic acid
  345433.7041  0.0058 -3.8037 3  371.4842109  72503 30354 153      53 152        s-trans-Propenoic acid
  345433.7041  0.0058 -4.2077 3  371.4842109  72503 30354 153      53 252        s-trans-Propenoic acid
  345433.7041  0.0058 -4.2077 3  371.4842109  72503 30354 253      53 152        s-trans-Propenoic acid
  345433.7041  0.0058 -3.8037 3  371.4842109  72503 30354 253      53 252        s-trans-Propenoic acid
  345435.7767  0.0051 -3.8130 3  370.4513107  72503 30353 251      52 250        s-trans-Propenoic acid
  345435.7767  0.0051 -4.2367 3  370.4513107  72503 30353 251      52 350        s-trans-Propenoic acid
  345435.7767  0.0051 -4.2367 3  370.4513107  72503 30353 351      52 250        s-trans-Propenoic acid
  345435.7767  0.0051 -3.8130 3  370.4513107  72503 30353 351      52 350        s-trans-Propenoic acid
  345436.7728  0.0070 -3.7936 3  372.0016111  72503 30355 055      54 054        s-trans-Propenoic acid
  345436.7728  0.0070 -4.1799 3  372.0016111  72503 30355 055      54 154        s-trans-Propenoic acid
  345436.7728  0.0070 -4.1799 3  372.0016111  72503 30355 155      54 054        s-trans-Propenoic acid
  345436.7728  0.0070 -3.7936 3  372.0016111  72503 30355 155      54 154        s-trans-Propenoic acid
  345450.5763  0.0046 -3.8212 3  368.8941105  72503 30352 349      51 348        s-trans-Propenoic acid
  345450.5763  0.0046 -4.2672 3  368.8941105  72503 30352 349      51 448        s-trans-Propenoic acid
  345450.5763  0.0046 -4.2672 3  368.8941105  72503 30352 449      51 348        s-trans-Propenoic acid
  345450.5763  0.0046 -3.8212 3  368.8941105  72503 30352 449      51 448        s-trans-Propenoic acid
  345489.6491  0.0043 -3.8284 3  366.8009103  72503 30351 447      50 446        s-trans-Propenoic acid
  345489.6491  0.0043 -4.2999 3  366.8009103  72503 30351 447      50 546        s-trans-Propenoic acid
  345489.6491  0.0043 -4.2999 3  366.8009103  72503 30351 547      50 446        s-trans-Propenoic acid
  345489.6491  0.0043 -3.8284 3  366.8009103  72503 30351 547      50 546        s-trans-Propenoic acid
  345543.8522  0.0124 -5.3480 3  431.1692117  72503 30358 256      58 157        s-trans-Propenoic acid
  345543.8522  0.0124 -5.7607 3  431.1692117  72503 30358 256      58 257        s-trans-Propenoic acid
  345543.8522  0.0124 -5.7607 3  431.1692117  72503 30358 356      58 157        s-trans-Propenoic acid
  345543.8522  0.0124 -5.3480 3  431.1692117  72503 30358 356      58 257        s-trans-Propenoic acid
  345571.1120  0.0040 -4.3355 3  364.1568101  72503 30350 545      49 644        s-trans-Propenoic acid
  345571.1126  0.0040 -3.8346 3  364.1568101  72503 30350 645      49 644        s-trans-Propenoic acid
  345571.1133  0.0040 -3.8346 3  364.1568101  72503 30350 545      49 544        s-trans-Propenoic acid
  345571.1139  0.0040 -4.3355 3  364.1568101  72503 30350 645      49 544        s-trans-Propenoic acid
  345596.6846  0.0258 -5.7964 3  761.1438147  72503 303731162      731163        s-trans-Propenoic acid
  345596.6849  0.0258 -5.2987 3  761.1438147  72503 303731162      731063        s-trans-Propenoic acid
  345596.6895  0.0258 -5.2987 3  761.1438147  72503 303731262      731163        s-trans-Propenoic acid
  345596.6898  0.0258 -5.7964 3  761.1438147  72503 303731262      731063        s-trans-Propenoic acid
  345632.2829  0.0626 -4.9252 3  564.9093107  72503 303532627      532528        s-trans-Propenoic acid
  345632.2829  0.0626 -4.9252 3  564.9093107  72503 303532628      532529        s-trans-Propenoic acid
  345678.9323  0.0027 -3.8458 3  335.1310 89  72503 303441233      431232        s-trans-Propenoic acid
  345682.7367  0.3125 -5.6686 3 1053.5222161  72503 303802852      802753        s-trans-Propenoic acid
  345691.5176  0.3124 -5.6686 3 1053.5219161  72503 303802853      802754        s-trans-Propenoic acid
  345724.6011  0.0036 -4.3752 3  360.9410 99  72503 30349 643      48 742        s-trans-Propenoic acid
  345724.6298  0.0036 -3.8394 3  360.9410 99  72503 30349 743      48 742        s-trans-Propenoic acid
  345724.6581  0.0036 -3.8394 3  360.9410 99  72503 30349 643      48 642        s-trans-Propenoic acid
  345724.6869  0.0036 -4.3752 3  360.9410 99  72503 30349 743      48 642        s-trans-Propenoic acid
  345782.2567  0.0059 -4.3239 3  150.1336 43  72503 3032114 7      2013 8        s-trans-Propenoic acid
  345782.2567  0.0059 -4.3239 3  150.1336 43  72503 3032114 8      2013 7        s-trans-Propenoic acid
  345955.4207  0.5122 -5.9997 3 1240.9083177  72503 303882959      882860        s-trans-Propenoic acid
  345966.7655  0.0141 -5.1586 3  600.1531133  72503 30366 759      66 660        s-trans-Propenoic acid
  345966.7655  0.0141 -5.6162 3  600.1531133  72503 30366 759      66 760        s-trans-Propenoic acid
  345966.7655  0.0141 -5.6162 3  600.1531133  72503 30366 859      66 660        s-trans-Propenoic acid
  345966.7655  0.0141 -5.1586 3  600.1531133  72503 30366 859      66 760        s-trans-Propenoic acid
  346000.5453  0.0033 -4.4207 3  357.1240 97  72503 30348 741      47 840        s-trans-Propenoic acid
  346001.5397  0.0033 -3.8427 3  357.1240 97  72503 30348 841      47 840        s-trans-Propenoic acid
  346002.4414  0.0033 -3.8427 3  357.1239 97  72503 30348 741      47 740        s-trans-Propenoic acid
  346003.4358  0.0033 -4.4207 3  357.1239 97  72503 30348 841      47 740        s-trans-Propenoic acid
  346012.1160  0.0035 -4.7518 3  177.1601 59  72503 30329 920      28 821        s-trans-Propenoic acid
  346075.9688  0.5106 -5.9994 3 1240.9037177  72503 303882960      882861        s-trans-Propenoic acid
  346106.2225  0.0069 -4.0051 3  392.7701 91  72503 303451927      441926        s-trans-Propenoic acid
  346106.2447  0.0069 -4.0051 3  392.7701 91  72503 303451926      441925        s-trans-Propenoic acid
  346145.0949  0.0027 -3.8296 3  329.7212 89  72503 303441034      431033        s-trans-Propenoic acid
  346179.4319  0.0931 -5.6501 3 1010.1322167  72503 303831667      831568        s-trans-Propenoic acid
  346182.1810  0.0931 -5.6501 3 1010.1322167  72503 303831767      831668        s-trans-Propenoic acid
  346216.6363  0.0610 -4.9102 3  551.3842105  72503 303522626      522527        s-trans-Propenoic acid
  346216.6363  0.0610 -4.9102 3  551.3842105  72503 303522627      522528        s-trans-Propenoic acid
  346382.9669  0.0337 -5.8651 3  808.3936151  72503 303751263      751264        s-trans-Propenoic acid
  346382.9682  0.0337 -5.3570 3  808.3936151  72503 303751263      751164        s-trans-Propenoic acid
  346382.9865  0.0337 -5.3570 3  808.3936151  72503 303751363      751264        s-trans-Propenoic acid
  346382.9878  0.0337 -5.8651 3  808.3936151  72503 303751363      751164        s-trans-Propenoic acid
  346423.0885  0.0079 -6.0682 3  217.6264 63  72503 303311418      311219        s-trans-Propenoic acid
  346466.8246  0.0030 -4.4754 3  352.6619 95  72503 30347 839      46 938        s-trans-Propenoic acid
  346471.3457  0.1527 -5.2927 3  828.6846139  72503 303692742      692643        s-trans-Propenoic acid
  346471.3998  0.1527 -5.2927 3  828.6846139  72503 303692743      692644        s-trans-Propenoic acid
  346484.2480  0.0079 -6.0680 3  217.6244 63  72503 303311417      311220        s-trans-Propenoic acid
  346492.2538  0.0030 -3.8441 3  352.6619 95  72503 30347 939      46 938        s-trans-Propenoic acid
  346496.9743  0.2177 -6.0580 3 1255.0801185  72503 303922072      921973        s-trans-Propenoic acid
  346504.3106  0.0034 -3.8767 3  345.6676 89  72503 303441430      431429        s-trans-Propenoic acid
  346513.0820  0.0030 -3.8440 3  352.6604 95  72503 30347 839      46 838        s-trans-Propenoic acid
  346538.5112  0.0030 -4.4752 3  352.6604 95  72503 30347 939      46 838        s-trans-Propenoic acid
  346559.8484  0.0037 -5.8071 3  120.1250 43  72503 30321 814      20 615        s-trans-Propenoic acid
  346585.2735  0.0688 -6.0949 3  786.1297 93  72503 3034645 1      4545 0        s-trans-Propenoic acid
  346585.2735  0.0688 -6.0949 3  786.1297 93  72503 3034645 2      4545 1        s-trans-Propenoic acid
  346592.2755  0.0029 -3.8587 3  340.1543 89  72503 303441332      431331        s-trans-Propenoic acid
  346609.7889  0.2182 -6.0577 3 1255.0806185  72503 303922172      922073        s-trans-Propenoic acid
  346693.8081  0.0655 -5.7557 3  765.6204 93  72503 3034644 2      4544 1        s-trans-Propenoic acid
  346693.8081  0.0655 -5.7557 3  765.6204 93  72503 3034644 3      4544 2        s-trans-Propenoic acid
  346766.9931  0.0597 -4.8963 3  538.1228103  72503 303512625      512526        s-trans-Propenoic acid
  346766.9931  0.0597 -4.8963 3  538.1228103  72503 303512626      512527        s-trans-Propenoic acid
  346785.0858  0.0737 -6.1098 3  957.8025163  72503 303811566      811567        s-trans-Propenoic acid
  346785.1652  0.0737 -5.5685 3  957.8025163  72503 303811566      811467        s-trans-Propenoic acid
  346786.0156  0.0737 -5.5685 3  957.8025163  72503 303811666      811567        s-trans-Propenoic acid
  346786.0951  0.0737 -6.1098 3  957.8025163  72503 303811666      811467        s-trans-Propenoic acid
  346790.5503  0.0041 -4.3650 3  155.3272 47  72503 303231311      221210        s-trans-Propenoic acid
  346790.5648  0.0041 -4.3650 3  155.3272 47  72503 303231310      221211        s-trans-Propenoic acid
  346805.9126  0.0623 -5.5424 3  745.5723 93  72503 3034643 3      4543 2        s-trans-Propenoic acid
  346805.9126  0.0623 -5.5424 3  745.5723 93  72503 3034643 4      4543 3        s-trans-Propenoic acid
  346817.9431  0.0028 -4.5476 3  347.4908 93  72503 30346 937      451036        s-trans-Propenoic acid
  346858.3533  0.0442 -5.9405 3  856.9251155  72503 303771364      771365        s-trans-Propenoic acid
  346858.3587  0.0442 -5.4217 3  856.9251155  72503 303771364      771265        s-trans-Propenoic acid
  346858.4284  0.0442 -5.4217 3  856.9251155  72503 303771464      771365        s-trans-Propenoic acid
  346858.4338  0.0442 -5.9405 3  856.9251155  72503 303771464      771265        s-trans-Propenoic acid
  346922.0304  0.0592 -5.3813 3  725.9856 93  72503 3034642 4      4542 3        s-trans-Propenoic acid
  346922.0304  0.0592 -5.3813 3  725.9856 93  72503 3034642 5      4542 4        s-trans-Propenoic acid
  346974.2769  0.0026 -4.4844 3  170.5643 55  72503 303271117      261016        s-trans-Propenoic acid
  347001.0352  0.0574 -6.0221 3  906.7307159  72503 303791465      791466        s-trans-Propenoic acid
  347001.0565  0.0574 -5.4923 3  906.7307159  72503 303791465      791366        s-trans-Propenoic acid
  347001.3066  0.0574 -5.4923 3  906.7307159  72503 303791565      791466        s-trans-Propenoic acid
  347001.3279  0.0574 -6.0221 3  906.7307159  72503 303791565      791366        s-trans-Propenoic acid
  347042.6605  0.0561 -5.2492 3  706.8606 93  72503 3034641 5      4541 4        s-trans-Propenoic acid
  347042.6605  0.0561 -5.2492 3  706.8606 93  72503 3034641 6      4541 5        s-trans-Propenoic acid
  347082.3680  0.0057 -3.9760 3  384.5376 91  72503 303451828      441827        s-trans-Propenoic acid
  347082.6910  0.0057 -3.9760 3  384.5376 91  72503 303451827      441826        s-trans-Propenoic acid
  347168.3661  0.0532 -5.1358 3  688.1977 93  72503 3034640 6      4540 5        s-trans-Propenoic acid
  347168.3661  0.0532 -5.1358 3  688.1977 93  72503 3034640 7      4540 6        s-trans-Propenoic acid
  347170.8531  0.0194 -6.0267 3  395.1068 97  72503 303481434      481237        s-trans-Propenoic acid
  347194.9030  0.0040 -6.1333 3  103.8955 35  72503 30317 9 8      16 7 9        s-trans-Propenoic acid
  347218.5787  0.0026 -4.4839 3  170.5574 55  72503 303271116      261017        s-trans-Propenoic acid
  347284.9958  0.0587 -4.8836 3  525.1245101  72503 303502624      502525        s-trans-Propenoic acid
  347284.9958  0.0587 -4.8836 3  525.1245101  72503 303502625      502526        s-trans-Propenoic acid
  347287.4900  0.0028 -3.8431 3  347.4908 93  72503 303461037      451036        s-trans-Propenoic acid
  347299.7850  0.0503 -5.0357 3  669.9972 93  72503 3034639 7      4539 6        s-trans-Propenoic acid
  347299.7850  0.0503 -5.0357 3  669.9972 93  72503 3034639 8      4539 7        s-trans-Propenoic acid
  347362.9977  0.0040 -6.1330 3  103.8899 35  72503 30317 9 9      16 710        s-trans-Propenoic acid
  347411.6765  0.0030 -4.4156 3  162.1072 51  72503 303251214      241113        s-trans-Propenoic acid
  347414.6379  0.0030 -4.4156 3  162.1071 51  72503 303251213      241114        s-trans-Propenoic acid
  347437.6418  0.0474 -4.9456 3  652.2595 93  72503 3034638 8      4538 7        s-trans-Propenoic acid
  347437.6418  0.0474 -4.9456 3  652.2595 93  72503 3034638 9      4538 8        s-trans-Propenoic acid
  347582.7630  0.0447 -4.8633 3  634.9850 93  72503 3034637 9      4537 8        s-trans-Propenoic acid
  347582.7630  0.0447 -4.8633 3  634.9850 93  72503 303463710      4537 9        s-trans-Propenoic acid
  347611.2969  0.1877 -6.1362 3  631.1081125  72503 303621944      621745        s-trans-Propenoic acid
  347621.9419  0.0028 -3.8422 3  347.4639 93  72503 30346 937      45 936        s-trans-Propenoic acid
  347639.0579  0.0973 -6.0831 3  883.0990151  72503 303752155      742252        s-trans-Propenoic acid
  347678.7167  0.2941 -5.6294 3 1032.7429159  72503 303792851      792752        s-trans-Propenoic acid
  347683.4053  0.2940 -5.6294 3 1032.7427159  72503 303792852      792753        s-trans-Propenoic acid
  347718.1791  0.0125 -5.1590 3  532.7729127  72503 30363 558      63 459        s-trans-Propenoic acid
  347718.1791  0.0125 -5.5978 3  532.7729127  72503 30363 558      63 559        s-trans-Propenoic acid
  347718.1791  0.0125 -5.5978 3  532.7729127  72503 30363 658      63 459        s-trans-Propenoic acid
  347718.1791  0.0125 -5.1590 3  532.7729127  72503 30363 658      63 559        s-trans-Propenoic acid
  347732.6150  0.0132 -5.9052 3  317.9956 83  72503 303411527      411328        s-trans-Propenoic acid
  347732.8432  0.1435 -5.2628 3  810.8993137  72503 303682741      682642        s-trans-Propenoic acid
  347732.8689  0.1435 -5.2628 3  810.8993137  72503 303682742      682643        s-trans-Propenoic acid
  347736.0947  0.0420 -4.7874 3  618.1742 93  72503 303463610      4536 9        s-trans-Propenoic acid
  347736.0947  0.0420 -4.7874 3  618.1742 93  72503 303463611      453610        s-trans-Propenoic acid
  347755.0580  0.0044 -5.8883 3  119.5958 45  72503 30322 617      21 418        s-trans-Propenoic acid
  347772.2047  0.0579 -4.8720 3  512.3888 99  72503 303492623      492524        s-trans-Propenoic acid
  347772.2047  0.0579 -4.8720 3  512.3888 99  72503 303492624      492525        s-trans-Propenoic acid
  347861.7171  0.0166 -5.6449 3  382.2095 95  72503 303471433      471136        s-trans-Propenoic acid
  347865.1299  0.0159 -5.1851 3  642.8274137  72503 30368 860      68 761        s-trans-Propenoic acid
  347865.1299  0.0159 -5.6519 3  642.8274137  72503 30368 860      68 861        s-trans-Propenoic acid
  347865.1299  0.0159 -5.6519 3  642.8274137  72503 30368 960      68 761        s-trans-Propenoic acid
  347865.1299  0.0159 -5.1851 3  642.8274137  72503 30368 960      68 861        s-trans-Propenoic acid
  347874.3264  0.0027 -3.8410 3  341.5708 91  72503 303451135      441134        s-trans-Propenoic acid
  347883.5508  0.1969 -5.8613 3  779.7890141  72503 303702050      692149        s-trans-Propenoic acid
  347898.7243  0.0394 -4.7169 3  601.8275 93  72503 303463511      453510        s-trans-Propenoic acid
  347898.7243  0.0394 -4.7169 3  601.8275 93  72503 303463512      453511        s-trans-Propenoic acid
  348015.3027  0.0201 -5.6880 3  357.4861 91  72503 303451431      451134        s-trans-Propenoic acid
  348068.4391  0.0026 -4.5916 3  180.7781 59  72503 303291019      28 920        s-trans-Propenoic acid
  348071.9075  0.0368 -4.6510 3  585.9456 93  72503 303463412      453411        s-trans-Propenoic acid
  348071.9075  0.0368 -4.6510 3  585.9456 93  72503 303463413      453412        s-trans-Propenoic acid
  348091.4888  0.0028 -4.5442 3  347.4639 93  72503 303461037      45 936        s-trans-Propenoic acid
  348173.3262  0.0038 -5.5099 3  122.5268 45  72503 30322 716      21 417        s-trans-Propenoic acid
  348230.1036  0.0573 -4.8617 3  499.9153 97  72503 303482622      482523        s-trans-Propenoic acid
  348230.1036  0.0573 -4.8617 3  499.9153 97  72503 303482623      482524        s-trans-Propenoic acid
  348257.1009  0.0344 -4.5892 3  570.5290 93  72503 303463313      453312        s-trans-Propenoic acid
  348257.1009  0.0344 -4.5892 3  570.5290 93  72503 303463314      453313        s-trans-Propenoic acid
  348268.2597  0.0043 -5.5283 3  119.5787 45  72503 30322 617      21 318        s-trans-Propenoic acid
  348278.9656  0.0046 -3.9481 3  376.8323 91  72503 303451729      441728        s-trans-Propenoic acid
  348282.9609  0.0046 -3.9481 3  376.8324 91  72503 303451728      441727        s-trans-Propenoic acid
  348296.5205  0.0081 -6.1024 3  209.6287 61  72503 303301417      301218        s-trans-Propenoic acid
  348308.9413  0.0131 -5.8904 3  328.8676 85  72503 303421527      421330        s-trans-Propenoic acid
  348324.8508  0.0081 -6.1024 3  209.6277 61  72503 303301416      301219        s-trans-Propenoic acid
  348398.2411  0.0208 -5.9675 3  426.4736101  72503 303501535      501338        s-trans-Propenoic acid
  348456.0031  0.0320 -4.5309 3  555.5785 93  72503 303463214      453213        s-trans-Propenoic acid
  348456.0031  0.0320 -4.5309 3  555.5785 93  72503 303463215      453214        s-trans-Propenoic acid
  348548.1115  0.0119 -5.2432 3  468.4345121  72503 30360 357      60 258        s-trans-Propenoic acid
  348548.1115  0.0119 -5.6642 3  468.4345121  72503 30360 357      60 358        s-trans-Propenoic acid
  348548.1115  0.0119 -5.6642 3  468.4345121  72503 30360 457      60 258        s-trans-Propenoic acid
  348548.1115  0.0119 -5.2432 3  468.4345121  72503 30360 457      60 358        s-trans-Propenoic acid
  348557.5135  0.0159 -5.5903 3  407.1910115  72503 30357 156      57 057        s-trans-Propenoic acid
  348557.5135  0.0159 -5.9946 3  407.1910115  72503 30357 156      57 157        s-trans-Propenoic acid
  348557.5135  0.0159 -5.9946 3  407.1910115  72503 30357 256      57 057        s-trans-Propenoic acid
  348557.5135  0.0159 -5.5903 3  407.1910115  72503 30357 256      57 157        s-trans-Propenoic acid
  348561.7356  0.0055 -5.5042 3  149.3619 53  72503 30326 719      25 520        s-trans-Propenoic acid
  348660.1057  0.0569 -4.8527 3  487.7033 95  72503 303472621      472522        s-trans-Propenoic acid
  348660.1057  0.0569 -4.8527 3  487.7033 95  72503 303472622      472523        s-trans-Propenoic acid
  348668.0774  0.4828 -5.9535 3 1217.9250175  72503 303872958      872859        s-trans-Propenoic acid
  348670.6060  0.0296 -4.4758 3  541.0949 93  72503 303463115      453114        s-trans-Propenoic acid
  348670.6060  0.0296 -4.4758 3  541.0949 93  72503 303463116      453115        s-trans-Propenoic acid
  348736.6930  0.4819 -5.9533 3 1217.9224175  72503 303872959      872860        s-trans-Propenoic acid
  348903.2599  0.0274 -4.4237 3  527.0791 93  72503 303463016      453015        s-trans-Propenoic acid
  348903.2599  0.0274 -4.4237 3  527.0791 93  72503 303463017      453016        s-trans-Propenoic acid
  348927.3917  0.1349 -5.2339 3  793.3869135  72503 303672740      672641        s-trans-Propenoic acid
  348927.4037  0.1349 -5.2339 3  793.3869135  72503 303672741      672642        s-trans-Propenoic acid
  348941.5083  0.1807 -5.9551 3 1197.1710181  72503 303901971      901872        s-trans-Propenoic acid
  348982.7444  0.1810 -5.9550 3 1197.1712181  72503 303902071      901972        s-trans-Propenoic acid
  349063.5594  0.0567 -4.8451 3  475.7526 93  72503 303462620      462521        s-trans-Propenoic acid
  349063.5594  0.0567 -4.8451 3  475.7526 93  72503 303462621      462522        s-trans-Propenoic acid
  349156.7562  0.0252 -4.3743 3  513.5322 93  72503 303462917      452916        s-trans-Propenoic acid
  349156.7562  0.0252 -4.3743 3  513.5322 93  72503 303462918      452917        s-trans-Propenoic acid
  349404.0489  0.0108 -6.1008 3  222.7948 67  72503 303331221      33 924        s-trans-Propenoic acid
  349434.4360  0.0231 -4.3274 3  500.4555 93  72503 303462818      452817        s-trans-Propenoic acid
  349434.4360  0.0231 -4.3274 3  500.4555 93  72503 303462819      452818        s-trans-Propenoic acid
  349441.7519  0.0565 -4.8389 3  464.0626 91  72503 303452619      452520        s-trans-Propenoic acid
  349441.7519  0.0565 -4.8389 3  464.0626 91  72503 303452620      452521        s-trans-Propenoic acid
  349519.1049  0.0184 -5.2216 3  686.8123141  72503 30370 961      70 862        s-trans-Propenoic acid
  349519.1049  0.0184 -5.6978 3  686.8123141  72503 30370 961      70 962        s-trans-Propenoic acid
  349519.1050  0.0184 -5.6978 3  686.8123141  72503 303701061      70 862        s-trans-Propenoic acid
  349519.1050  0.0184 -5.2216 3  686.8123141  72503 303701061      70 962        s-trans-Propenoic acid
  349563.4420  0.2768 -5.5911 3 1012.2451157  72503 303782850      782751        s-trans-Propenoic acid
  349565.9124  0.2768 -5.5911 3 1012.2451157  72503 303782851      782752        s-trans-Propenoic acid
  349740.3308  0.0211 -4.2828 3  487.8504 93  72503 303462719      452718        s-trans-Propenoic acid
  349740.3308  0.0211 -4.2828 3  487.8504 93  72503 303462720      452719        s-trans-Propenoic acid
  349777.4435  0.0038 -3.9213 3  369.6752 91  72503 303451630      441629        s-trans-Propenoic acid
  349795.9145  0.0565 -4.8343 3  452.6329 89  72503 303442618      442519        s-trans-Propenoic acid
  349795.9145  0.0565 -4.8343 3  452.6329 89  72503 303442619      442520        s-trans-Propenoic acid
  349818.6510  0.0038 -3.9212 3  369.6766 91  72503 303451629      441628        s-trans-Propenoic acid
  349956.7271  0.0083 -6.1405 3  201.9036 59  72503 303291416      291217        s-trans-Propenoic acid
  349969.3909  0.0083 -6.1405 3  201.9032 59  72503 303291415      291218        s-trans-Propenoic acid
  350041.9260  0.0055 -4.9629 3  166.4585 57  72503 30328 820      27 721        s-trans-Propenoic acid
  350058.7291  0.1269 -5.2059 3  776.1464133  72503 303662739      662640        s-trans-Propenoic acid
  350058.7347  0.1269 -5.2059 3  776.1464133  72503 303662740      662641        s-trans-Propenoic acid
  350079.3513  0.0191 -4.2404 3  475.7187 93  72503 303462620      452619        s-trans-Propenoic acid
  350079.3513  0.0191 -4.2404 3  475.7187 93  72503 303462621      452620        s-trans-Propenoic acid
  350088.2690  0.0035 -5.3680 3  158.8717 55  72503 30327 819      26 620        s-trans-Propenoic acid
  350095.1708  0.0142 -5.1593 3  573.4279131  72503 30365 659      65 560        s-trans-Propenoic acid
  350095.1708  0.0142 -5.6068 3  573.4279131  72503 30365 659      65 660        s-trans-Propenoic acid
  350095.1708  0.0142 -5.6068 3  573.4279131  72503 30365 759      65 560        s-trans-Propenoic acid
  350095.1708  0.0142 -5.1593 3  573.4279131  72503 30365 759      65 660        s-trans-Propenoic acid
  350127.2253  0.0566 -4.8313 3  441.4630 87  72503 303432617      432518        s-trans-Propenoic acid
  350127.2253  0.0566 -4.8313 3  441.4630 87  72503 303432618      432519        s-trans-Propenoic acid
  350436.8135  0.0567 -4.8301 3  430.5526 85  72503 303422616      422517        s-trans-Propenoic acid
  350436.8135  0.0567 -4.8301 3  430.5526 85  72503 303422617      422518        s-trans-Propenoic acid
  350457.5439  0.0172 -4.2001 3  464.0626 93  72503 303462521      452520        s-trans-Propenoic acid
  350457.5439  0.0172 -4.2001 3  464.0626 93  72503 303462522      452521        s-trans-Propenoic acid
  350517.0932  0.0038 -4.6397 3  353.1747 93  72503 303461036      451135        s-trans-Propenoic acid
  350557.3798  0.0048 -3.8194 3  324.8929 87  72503 303431231      421230        s-trans-Propenoic acid
  350725.7618  0.0569 -4.8308 3  419.9013 83  72503 303412615      412516        s-trans-Propenoic acid
  350725.7618  0.0569 -4.8308 3  419.9013 83  72503 303412616      412517        s-trans-Propenoic acid
  350799.9754  0.1487 -5.8573 3 1140.4841177  72503 303881870      881771        s-trans-Propenoic acid
  350814.4009  0.1488 -5.8572 3 1140.4842177  72503 303881970      881871        s-trans-Propenoic acid
  350882.4442  0.0154 -4.1617 3  452.8846 93  72503 303462422      452421        s-trans-Propenoic acid
  350882.4442  0.0154 -4.1617 3  452.8846 93  72503 303462423      452422        s-trans-Propenoic acid
  350883.0932  0.0299 -5.9139 3  393.8129 95  72503 303471632      471433        s-trans-Propenoic acid
  350917.4143  0.0223 -5.2667 3  732.1011145  72503 303721062      72 963        s-trans-Propenoic acid
  350917.4143  0.0223 -5.7525 3  732.1011145  72503 303721062      721063        s-trans-Propenoic acid
  350917.4149  0.0223 -5.7525 3  732.1011145  72503 303721162      72 963        s-trans-Propenoic acid
  350917.4149  0.0223 -5.2667 3  732.1011145  72503 303721162      721063        s-trans-Propenoic acid
  350926.2129  0.0108 -4.2462 3  148.6279 37  72503 3031816 2      1715 3        s-trans-Propenoic acid
  350926.2129  0.0108 -4.2462 3  148.6279 37  72503 3031816 3      1715 2        s-trans-Propenoic acid
  350995.1094  0.0572 -4.8336 3  409.5086 81  72503 303402614      402515        s-trans-Propenoic acid
  350995.1094  0.0572 -4.8336 3  409.5086 81  72503 303402615      402516        s-trans-Propenoic acid
  351130.3004  0.1195 -5.1787 3  759.1770131  72503 303652738      652639        s-trans-Propenoic acid
  351130.3029  0.1195 -5.1787 3  759.1770131  72503 303652739      652640        s-trans-Propenoic acid
  351137.2548  0.0028 -3.8317 3  341.2674 91  72503 303451035      441034        s-trans-Propenoic acid
  351208.7738  0.4552 -5.9084 3 1195.2314173  72503 303862957      862858        s-trans-Propenoic acid
  351245.8545  0.0575 -4.8388 3  399.3742 79  72503 303392613      392514        s-trans-Propenoic acid
  351245.8545  0.0575 -4.8388 3  399.3742 79  72503 303392614      392515        s-trans-Propenoic acid
  351247.3283  0.4548 -5.9084 3 1195.2299173  72503 303862958      862859        s-trans-Propenoic acid
  351305.8402  0.0974 -5.4330 3  565.0301119  72503 303591643      581742        s-trans-Propenoic acid
  351345.1043  0.2605 -5.5538 3  992.0276155  72503 303772849      772750        s-trans-Propenoic acid
  351346.3887  0.2605 -5.5538 3  992.0275155  72503 303772850      772751        s-trans-Propenoic acid
  351354.8308  0.0128 -5.1927 3  507.0433125  72503 30362 458      62 359        s-trans-Propenoic acid
  351354.8308  0.0128 -5.6221 3  507.0433125  72503 30362 458      62 459        s-trans-Propenoic acid
  351354.8308  0.0128 -5.6221 3  507.0433125  72503 30362 558      62 359        s-trans-Propenoic acid
  351354.8308  0.0128 -5.1927 3  507.0433125  72503 30362 558      62 459        s-trans-Propenoic acid
  351363.5803  0.0136 -4.1252 3  442.1881 93  72503 303462323      452322        s-trans-Propenoic acid
  351363.5803  0.0136 -4.1252 3  442.1881 93  72503 303462324      452323        s-trans-Propenoic acid
  351388.0210  0.0032 -3.8061 3  321.7167 87  72503 303431132      421131        s-trans-Propenoic acid
  351478.9565  0.0578 -4.8465 3  389.4978 77  72503 303382612      382513        s-trans-Propenoic acid
  351478.9565  0.0578 -4.8465 3  389.4978 77  72503 303382613      382514        s-trans-Propenoic acid
  351557.9949  0.0336 -5.0628 3  432.0411103  72503 303511338      501437        s-trans-Propenoic acid
  351569.4909  0.0169 -5.7910 3  324.8591 87  72503 303431231      43 934        s-trans-Propenoic acid
  351642.8942  0.0033 -3.8955 3  363.0960 91  72503 303451531      441530        s-trans-Propenoic acid
  351648.4689  0.0063 -3.8044 3  383.0066111  72503 30355 154      54 153        s-trans-Propenoic acid
  351648.4689  0.0063 -4.2079 3  383.0066111  72503 30355 154      54 253        s-trans-Propenoic acid
  351648.4689  0.0063 -4.2079 3  383.0066111  72503 30355 254      54 153        s-trans-Propenoic acid
  351648.4689  0.0063 -3.8044 3  383.0066111  72503 30355 254      54 253        s-trans-Propenoic acid
  351650.1040  0.0056 -3.8134 3  381.9738109  72503 30354 252      53 251        s-trans-Propenoic acid
  351650.1040  0.0056 -4.2362 3  381.9738109  72503 30354 252      53 351        s-trans-Propenoic acid
  351650.1040  0.0056 -4.2362 3  381.9738109  72503 30354 352      53 251        s-trans-Propenoic acid
  351650.1040  0.0056 -3.8134 3  381.9738109  72503 30354 352      53 351        s-trans-Propenoic acid
  351651.6440  0.0077 -3.7945 3  383.5241113  72503 30356 056      55 055        s-trans-Propenoic acid
  351651.6440  0.0077 -4.1806 3  383.5241113  72503 30356 056      55 155        s-trans-Propenoic acid
  351651.6440  0.0077 -4.1806 3  383.5241113  72503 30356 156      55 055        s-trans-Propenoic acid
  351651.6440  0.0077 -3.7945 3  383.5241113  72503 30356 156      55 155        s-trans-Propenoic acid
  351663.7608  0.0051 -3.8215 3  380.4170107  72503 30353 350      52 349        s-trans-Propenoic acid
  351663.7608  0.0051 -4.2660 3  380.4170107  72503 30353 350      52 449        s-trans-Propenoic acid
  351663.7608  0.0051 -4.2660 3  380.4170107  72503 30353 450      52 349        s-trans-Propenoic acid
  351663.7608  0.0051 -3.8215 3  380.4170107  72503 30353 450      52 449        s-trans-Propenoic acid
  351695.3380  0.0582 -4.8572 3  379.8789 75  72503 303372611      372512        s-trans-Propenoic acid
  351695.3380  0.0582 -4.8572 3  379.8789 75  72503 303372612      372513        s-trans-Propenoic acid
  351700.3156  0.0047 -3.8285 3  378.3252105  72503 30352 448      51 447        s-trans-Propenoic acid
  351700.3156  0.0047 -4.2978 3  378.3252105  72503 30352 448      51 547        s-trans-Propenoic acid
  351700.3156  0.0047 -4.2978 3  378.3252105  72503 30352 548      51 447        s-trans-Propenoic acid
  351700.3156  0.0047 -3.8285 3  378.3252105  72503 30352 548      51 547        s-trans-Propenoic acid
  351755.8585  0.0141 -5.3588 3  443.7280119  72503 30359 257      59 158        s-trans-Propenoic acid
  351755.8585  0.0141 -5.7712 3  443.7280119  72503 30359 257      59 258        s-trans-Propenoic acid
  351755.8585  0.0141 -5.7712 3  443.7280119  72503 30359 357      59 158        s-trans-Propenoic acid
  351755.8585  0.0141 -5.3588 3  443.7280119  72503 30359 357      59 258        s-trans-Propenoic acid
  351776.6517  0.0044 -4.3323 3  375.6838103  72503 30351 546      50 645        s-trans-Propenoic acid
  351776.6520  0.0044 -3.8344 3  375.6838103  72503 30351 646      50 645        s-trans-Propenoic acid
  351776.6523  0.0044 -3.8344 3  375.6838103  72503 30351 546      50 545        s-trans-Propenoic acid
  351776.6526  0.0044 -4.3323 3  375.6838103  72503 30351 646      50 545        s-trans-Propenoic acid
  351882.5076  0.0122 -5.8966 3  317.8590 83  72503 303411526      411329        s-trans-Propenoic acid
  351895.8866  0.0585 -4.8713 3  370.5172 73  72503 303362610      362511        s-trans-Propenoic acid
  351895.8866  0.0585 -4.8713 3  370.5172 73  72503 303362611      362512        s-trans-Propenoic acid
  351913.2058  0.0120 -4.0905 3  431.9769 93  72503 303462224      452223        s-trans-Propenoic acid
  351913.2058  0.0120 -4.0905 3  431.9769 93  72503 303462225      452224        s-trans-Propenoic acid
  351920.0342  0.0040 -4.3705 3  372.4731101  72503 30350 644      49 743        s-trans-Propenoic acid
  351920.0486  0.0040 -3.8391 3  372.4731101  72503 30350 744      49 743        s-trans-Propenoic acid
  351920.0630  0.0040 -3.8391 3  372.4731101  72503 30350 644      49 643        s-trans-Propenoic acid
  351920.0774  0.0040 -4.3705 3  372.4731101  72503 30350 744      49 643        s-trans-Propenoic acid
  351986.6040  0.0034 -3.8947 3  363.1096 91  72503 303451530      441529        s-trans-Propenoic acid
  352047.1429  0.0280 -5.8151 3  778.6869149  72503 303741163      741164        s-trans-Propenoic acid
  352047.1431  0.0280 -5.3194 3  778.6869149  72503 303741163      741064        s-trans-Propenoic acid
  352047.1454  0.0280 -5.3194 3  778.6869149  72503 303741263      741164        s-trans-Propenoic acid
  352047.1456  0.0280 -5.8151 3  778.6869149  72503 303741263      741064        s-trans-Propenoic acid
  352081.4565  0.0589 -4.8893 3  361.4124 71  72503 3033526 9      352510        s-trans-Propenoic acid
  352081.4565  0.0589 -4.8893 3  361.4124 71  72503 303352610      352511        s-trans-Propenoic acid
  352145.2914  0.1127 -5.1525 3  742.4780129  72503 303642737      642638        s-trans-Propenoic acid
  352145.2925  0.1127 -5.1525 3  742.4780129  72503 303642738      642639        s-trans-Propenoic acid
  352147.0733  0.0080 -4.2797 3  151.2853 41  72503 3032015 5      1914 6        s-trans-Propenoic acid
  352147.0733  0.0080 -4.2797 3  151.2853 41  72503 3032015 6      1914 5        s-trans-Propenoic acid
  352151.0115  0.1211 -5.7644 3 1085.0299173  72503 303861769      861670        s-trans-Propenoic acid
  352155.8372  0.1211 -5.7644 3 1085.0299173  72503 303861869      861770        s-trans-Propenoic acid
  352176.4947  0.0036 -4.4141 3  368.6654 99  72503 30349 742      48 841        s-trans-Propenoic acid
  352177.0130  0.0036 -3.8422 3  368.6654 99  72503 30349 842      48 841        s-trans-Propenoic acid
  352177.4891  0.0036 -3.8422 3  368.6653 99  72503 30349 742      48 741        s-trans-Propenoic acid
  352178.0074  0.0036 -4.4141 3  368.6653 99  72503 30349 842      48 741        s-trans-Propenoic acid
  352251.2641  0.0159 -5.1749 3  615.4072135  72503 30367 760      67 661        s-trans-Propenoic acid
  352251.2641  0.0159 -5.6313 3  615.4072135  72503 30367 760      67 761        s-trans-Propenoic acid
  352251.2641  0.0159 -5.6313 3  615.4072135  72503 30367 860      67 661        s-trans-Propenoic acid
  352251.2641  0.0159 -5.1749 3  615.4072135  72503 30367 860      67 761        s-trans-Propenoic acid
  352252.8703  0.0593 -4.9119 3  352.5642 69  72503 3033426 8      3425 9        s-trans-Propenoic acid
  352252.8703  0.0593 -4.9119 3  352.5642 69  72503 3033426 9      342510        s-trans-Propenoic acid
  352410.9196  0.0597 -4.9403 3  343.9723 67  72503 3033326 7      3325 8        s-trans-Propenoic acid
  352410.9196  0.0597 -4.9403 3  343.9723 67  72503 3033326 8      3325 9        s-trans-Propenoic acid
  352527.6114  0.0059 -5.5128 3  124.9005 47  72503 30323 518      22 419        s-trans-Propenoic acid
  352547.4076  0.0104 -4.0574 3  422.2562 93  72503 303462126      452125        s-trans-Propenoic acid
  352547.4077  0.0104 -4.0574 3  422.2562 93  72503 303462125      452124        s-trans-Propenoic acid
  352556.3672  0.0601 -4.9758 3  335.6363 65  72503 3033226 6      3225 7        s-trans-Propenoic acid
  352556.3672  0.0601 -4.9758 3  335.6363 65  72503 3033226 7      3225 8        s-trans-Propenoic acid
  352616.0214  0.0033 -4.4659 3  364.2197 97  72503 30348 840      47 939        s-trans-Propenoic acid
  352629.8842  0.0033 -3.8436 3  364.2197 97  72503 30348 940      47 939        s-trans-Propenoic acid
  352641.4505  0.0033 -3.8435 3  364.2188 97  72503 30348 840      47 839        s-trans-Propenoic acid
  352655.3134  0.0033 -4.4658 3  364.2188 97  72503 30348 940      47 839        s-trans-Propenoic acid
  352689.9472  0.0605 -5.0205 3  327.5559 63  72503 3033126 5      3125 6        s-trans-Propenoic acid
  352689.9472  0.0605 -5.0205 3  327.5559 63  72503 3033126 6      3125 7        s-trans-Propenoic acid
  352808.6408  0.0058 -5.8829 3  124.8912 47  72503 30323 518      22 319        s-trans-Propenoic acid
  352812.3666  0.0610 -5.0776 3  319.7310 61  72503 3033026 4      3025 5        s-trans-Propenoic acid
  352812.3666  0.0610 -5.0776 3  319.7310 61  72503 3033026 5      3025 6        s-trans-Propenoic acid
  352821.3430  0.0049 -3.8432 3  340.5255 89  72503 303441331      431330        s-trans-Propenoic acid
  352875.0667  0.0028 -3.8415 3  346.6616 91  72503 303451234      441233        s-trans-Propenoic acid
  352893.4183  0.0361 -5.8847 3  826.5627153  72503 303761264      761265        s-trans-Propenoic acid
  352893.4189  0.0361 -5.3790 3  826.5627153  72503 303761264      761165        s-trans-Propenoic acid
  352893.4286  0.0361 -5.3790 3  826.5627153  72503 303761364      761265        s-trans-Propenoic acid
  352893.4292  0.0361 -5.8847 3  826.5627153  72503 303761364      761165        s-trans-Propenoic acid
  352924.3058  0.0614 -5.1527 3  312.1611 59  72503 3032926 3      2925 4        s-trans-Propenoic acid
  352924.3058  0.0614 -5.1527 3  312.1611 59  72503 3032926 4      2925 5        s-trans-Propenoic acid
  352997.0785  0.0094 -4.7654 3  370.4348 95  72503 303471136      461235        s-trans-Propenoic acid
  352997.9989  0.0119 -5.9101 3  307.2098 81  72503 303401526      401327        s-trans-Propenoic acid
  353026.4198  0.0618 -5.2560 3  304.8461 57  72503 3032826 2      2825 3        s-trans-Propenoic acid
  353026.4198  0.0618 -5.2560 3  304.8461 57  72503 3032826 3      2825 4        s-trans-Propenoic acid
  353030.8735  0.2451 -5.5174 3  972.0890153  72503 303762848      762749        s-trans-Propenoic acid
  353031.5323  0.2451 -5.5174 3  972.0890153  72503 303762849      762750        s-trans-Propenoic acid
  353051.2444  0.0973 -5.6766 3 1030.8177169  72503 303841668      841569        s-trans-Propenoic acid
  353052.7860  0.0974 -5.6766 3 1030.8177169  72503 303841768      841669        s-trans-Propenoic acid
  353106.6573  0.1064 -5.1272 3  726.0486127  72503 303632736      632637        s-trans-Propenoic acid
  353106.6578  0.1064 -5.1272 3  726.0486127  72503 303632737      632638        s-trans-Propenoic acid
  353115.8292  0.0030 -4.5324 3  359.0750 95  72503 30347 938      461037        s-trans-Propenoic acid
  353119.3381  0.0622 -5.4105 3  297.7857 55  72503 3032726 1      2725 2        s-trans-Propenoic acid
  353119.3381  0.0622 -5.4105 3  297.7857 55  72503 3032726 2      2725 3        s-trans-Propenoic acid
  353184.7720  0.1425 -6.1365 3  931.3466155  72503 303772256      762353        s-trans-Propenoic acid
  353203.6662  0.0626 -5.6902 3  290.9796 53  72503 3032626 0      2625 1        s-trans-Propenoic acid
  353203.6662  0.0626 -5.6902 3  290.9796 53  72503 3032626 1      2625 2        s-trans-Propenoic acid
  353281.8739  0.0900 -6.1274 3  903.0296153  72503 303762156      752253        s-trans-Propenoic acid
  353285.5557  0.0057 -4.3164 3  155.4613 45  72503 3032214 9      2113 8        s-trans-Propenoic acid
  353285.5559  0.0057 -4.3164 3  155.4613 45  72503 3032214 8      2113 9        s-trans-Propenoic acid
  353287.8487  0.0089 -4.0259 3  413.0327 93  72503 303462027      452026        s-trans-Propenoic acid
  353287.8519  0.0089 -4.0259 3  413.0327 93  72503 303462026      452025        s-trans-Propenoic acid
  353372.8935  0.0072 -6.1402 3  196.4449 63  72503 303311022      31 725        s-trans-Propenoic acid
  353386.6874  0.0030 -3.8426 3  359.0750 95  72503 303471038      461037        s-trans-Propenoic acid
  353439.0032  0.0468 -5.9610 3  875.7213157  72503 303781365      781366        s-trans-Propenoic acid
  353439.0060  0.0468 -5.4449 3  875.7213157  72503 303781365      781266        s-trans-Propenoic acid
  353439.0433  0.0468 -5.4449 3  875.7213157  72503 303781465      781366        s-trans-Propenoic acid
  353439.0461  0.0468 -5.9610 3  875.7213157  72503 303781465      781266        s-trans-Propenoic acid
  353543.9358  0.0772 -6.1319 3  977.8567165  72503 303821567      821568        s-trans-Propenoic acid
  353543.9785  0.0772 -5.5940 3  977.8567165  72503 303821567      821468        s-trans-Propenoic acid
  353544.4479  0.0773 -5.5940 3  977.8567165  72503 303821667      821568        s-trans-Propenoic acid
  353544.4906  0.0773 -6.1319 3  977.8567165  72503 303821667      821468        s-trans-Propenoic acid
  353585.3761  0.0030 -3.8421 3  359.0594 95  72503 30347 938      46 937        s-trans-Propenoic acid
  353596.0095  0.4294 -5.8645 3 1172.8254171  72503 303852956      852857        s-trans-Propenoic acid
  353617.3974  0.4292 -5.8644 3 1172.8246171  72503 303852957      852858        s-trans-Propenoic acid
  353645.6035  0.0039 -6.0529 3  108.2735 37  72503 30318 9 9      17 710        s-trans-Propenoic acid
  353649.7264  0.0032 -3.8712 3  357.1214 91  72503 303451432      441431        s-trans-Propenoic acid
  353663.7623  0.0605 -6.0435 3  926.1552161  72503 303801466      801467        s-trans-Propenoic acid
  353663.7736  0.0605 -5.5166 3  926.1552161  72503 303801466      801367        s-trans-Propenoic acid
  353663.9095  0.0605 -5.5166 3  926.1552161  72503 303801566      801467        s-trans-Propenoic acid
  353663.9208  0.0605 -6.0435 3  926.1552161  72503 303801566      801367        s-trans-Propenoic acid
  353756.2158  0.0026 -4.4871 3  177.5555 57  72503 303281118      271017        s-trans-Propenoic acid
  353856.2343  0.0031 -4.5305 3  359.0594 95  72503 303471038      46 937        s-trans-Propenoic acid
  353958.4726  0.0143 -5.1734 3  546.9895129  72503 30364 559      64 460        s-trans-Propenoic acid
  353958.4726  0.0143 -5.6113 3  546.9895129  72503 30364 559      64 560        s-trans-Propenoic acid
  353958.4726  0.0143 -5.6113 3  546.9895129  72503 30364 659      64 460        s-trans-Propenoic acid
  353958.4726  0.0143 -5.1734 3  546.9895129  72503 30364 659      64 560        s-trans-Propenoic acid
  354002.3851  0.2258 -6.0890 3 1278.5128187  72503 303932073      931974        s-trans-Propenoic acid
  354017.1478  0.1007 -5.1028 3  709.8881125  72503 303622735      622636        s-trans-Propenoic acid
  354017.1480  0.1007 -5.1028 3  709.8881125  72503 303622736      622637        s-trans-Propenoic acid
  354030.6148  0.0039 -6.0522 3  108.2606 37  72503 30318 910      17 711        s-trans-Propenoic acid
  354059.5635  0.0787 -6.1442 3  818.6571 95  72503 3034746 1      4646 0        s-trans-Propenoic acid
  354059.5635  0.0787 -6.1442 3  818.6571 95  72503 3034746 2      4646 1        s-trans-Propenoic acid
  354069.5527  0.2262 -6.0888 3 1278.5131187  72503 303932173      932074        s-trans-Propenoic acid
  354131.5162  0.1101 -6.0366 3  544.8055115  72503 303571840      571641        s-trans-Propenoic acid
  354164.6486  0.0074 -3.9958 3  404.3150 93  72503 303461928      451927        s-trans-Propenoic acid
  354164.6992  0.0074 -3.9958 3  404.3150 93  72503 303461927      451926        s-trans-Propenoic acid
  354169.9311  0.0750 -5.8040 3  797.6905 95  72503 3034745 2      4645 1        s-trans-Propenoic acid
  354169.9311  0.0750 -5.8040 3  797.6905 95  72503 3034745 3      4645 2        s-trans-Propenoic acid
  354172.0440  0.0028 -3.8398 3  353.1747 93  72503 303461136      451135        s-trans-Propenoic acid
  354178.2042  0.0179 -5.2027 3  658.7043139  72503 30369 861      69 762        s-trans-Propenoic acid
  354178.2042  0.0179 -5.6681 3  658.7043139  72503 30369 861      69 862        s-trans-Propenoic acid
  354178.2042  0.0179 -5.6681 3  658.7043139  72503 30369 961      69 762        s-trans-Propenoic acid
  354178.2042  0.0179 -5.2027 3  658.7043139  72503 30369 961      69 862        s-trans-Propenoic acid
  354221.7913  0.0040 -4.3591 3  161.1869 49  72503 303241312      231211        s-trans-Propenoic acid
  354221.8370  0.0040 -4.3591 3  161.1869 49  72503 303241311      231212        s-trans-Propenoic acid
  354262.4390  0.0026 -4.4861 3  177.5412 57  72503 303281117      271018        s-trans-Propenoic acid
  354283.7313  0.0714 -5.5896 3  777.1849 95  72503 3034744 3      4644 2        s-trans-Propenoic acid
  354283.7313  0.0714 -5.5896 3  777.1849 95  72503 3034744 4      4644 3        s-trans-Propenoic acid
  354401.3861  0.0680 -5.4275 3  757.1405 95  72503 3034743 4      4643 3        s-trans-Propenoic acid
  354401.3861  0.0680 -5.4275 3  757.1405 95  72503 3034743 5      4643 4        s-trans-Propenoic acid
  354445.6132  0.2288 -5.9613 3  844.1507147  72503 303732152      722251        s-trans-Propenoic acid
  354523.3691  0.0646 -5.2943 3  737.5577 95  72503 3034742 5      4642 4        s-trans-Propenoic acid
  354523.3691  0.0646 -5.2943 3  737.5577 95  72503 3034742 6      4642 5        s-trans-Propenoic acid
  354627.1024  0.2306 -5.4820 3  952.4283151  72503 303752847      752748        s-trans-Propenoic acid
  354627.4358  0.2306 -5.4820 3  952.4283151  72503 303752848      752749        s-trans-Propenoic acid
  354650.2132  0.0612 -5.1799 3  718.4367 95  72503 3034741 6      4641 5        s-trans-Propenoic acid
  354650.2132  0.0612 -5.1799 3  718.4367 95  72503 3034741 7      4641 6        s-trans-Propenoic acid
  354660.5164  0.0031 -3.8517 3  351.7153 91  72503 303451333      441332        s-trans-Propenoic acid
  354685.9307  0.0030 -4.4125 3  168.5157 53  72503 303261215      251114        s-trans-Propenoic acid
  354693.3604  0.0030 -4.4125 3  168.5155 53  72503 303261214      251115        s-trans-Propenoic acid
  354747.9712  0.0118 -6.1352 3  229.7890 71  72503 30335 926      35 629        s-trans-Propenoic acid
  354765.0214  0.0138 -5.2554 3  481.6148123  72503 30361 358      61 259        s-trans-Propenoic acid
  354765.0214  0.0138 -5.6760 3  481.6148123  72503 30361 358      61 359        s-trans-Propenoic acid
  354765.0214  0.0138 -5.6760 3  481.6148123  72503 30361 458      61 259        s-trans-Propenoic acid
  354765.0214  0.0138 -5.2554 3  481.6148123  72503 30361 458      61 359        s-trans-Propenoic acid
  354767.4149  0.0177 -5.6005 3  419.3354117  72503 30358 157      58 058        s-trans-Propenoic acid
  354767.4149  0.0177 -6.0046 3  419.3354117  72503 30358 157      58 158        s-trans-Propenoic acid
  354767.4149  0.0177 -6.0046 3  419.3354117  72503 30358 257      58 058        s-trans-Propenoic acid
  354767.4149  0.0177 -5.6005 3  419.3354117  72503 30358 257      58 158        s-trans-Propenoic acid
  354782.5202  0.0580 -5.0788 3  699.7780 95  72503 3034740 7      4640 6        s-trans-Propenoic acid
  354782.5202  0.0580 -5.0788 3  699.7780 95  72503 3034740 8      4640 7        s-trans-Propenoic acid
  354879.3279  0.0955 -5.0794 3  693.9958123  72503 303612734      612635        s-trans-Propenoic acid
  354879.3280  0.0955 -5.0794 3  693.9958123  72503 303612735      612636        s-trans-Propenoic acid
  354888.7246  0.0037 -5.7513 3  125.5397 45  72503 30322 815      21 616        s-trans-Propenoic acid
  354920.9719  0.0548 -4.9875 3  681.5819 95  72503 3034739 8      4639 7        s-trans-Propenoic acid
  354920.9719  0.0548 -4.9875 3  681.5819 95  72503 3034739 9      4639 8        s-trans-Propenoic acid
  355066.3428  0.0517 -4.9042 3  663.8487 95  72503 3034738 9      4638 8        s-trans-Propenoic acid
  355066.3428  0.0517 -4.9042 3  663.8487 95  72503 303473810      4638 9        s-trans-Propenoic acid
  355090.3801  0.0066 -4.6734 3  318.3368 87  72503 303431133      421032        s-trans-Propenoic acid
  355219.5168  0.0487 -4.8272 3  646.5791 95  72503 303473710      4637 9        s-trans-Propenoic acid
  355219.5168  0.0487 -4.8272 3  646.5791 95  72503 303473711      463710        s-trans-Propenoic acid
  355221.3087  0.0062 -3.9671 3  396.1150 93  72503 303461829      451828        s-trans-Propenoic acid
  355222.0021  0.0062 -3.9671 3  396.1151 93  72503 303461828      451827        s-trans-Propenoic acid
  355242.0242  0.0057 -4.6531 3  329.7212 89  72503 303441134      431033        s-trans-Propenoic acid
  355329.1835  0.0593 -5.9599 3  465.7062105  72503 303521736      521537        s-trans-Propenoic acid
  355381.5058  0.0458 -4.7556 3  629.7734 95  72503 303473611      463610        s-trans-Propenoic acid
  355381.5058  0.0458 -4.7556 3  629.7734 95  72503 303473612      463611        s-trans-Propenoic acid
  355388.6100  0.0114 -5.9051 3  307.1310 81  72503 303401525      401328        s-trans-Propenoic acid
  355435.6393  0.0216 -5.7418 3  345.3697 89  72503 303441430      441133        s-trans-Propenoic acid
  355553.4736  0.0429 -4.6887 3  613.4322 95  72503 303473512      463511        s-trans-Propenoic acid
  355553.4736  0.0429 -4.6887 3  613.4322 95  72503 303473513      463512        s-trans-Propenoic acid
  355695.5965  0.0908 -5.0569 3  678.3711121  72503 303602733      602634        s-trans-Propenoic acid
  355695.5966  0.0908 -5.0569 3  678.3711121  72503 303602734      602635        s-trans-Propenoic acid
  355736.7645  0.0401 -4.6257 3  597.5560 95  72503 303473413      463412        s-trans-Propenoic acid
  355736.7645  0.0401 -4.6257 3  597.5560 95  72503 303473414      463413        s-trans-Propenoic acid
  355821.1490  0.0041 -3.8661 3  357.2257 91  72503 303451431      441430        s-trans-Propenoic acid
  355844.5756  0.4052 -5.8215 3 1150.7053169  72503 303842955      842856        s-trans-Propenoic acid
  355856.2903  0.4051 -5.8215 3 1150.7049169  72503 303842956      842857        s-trans-Propenoic acid
  355866.6450  0.0206 -5.2405 3  703.3125143  72503 30371 962      71 863        s-trans-Propenoic acid
  355866.6450  0.0206 -5.7151 3  703.3125143  72503 30371 962      71 963        s-trans-Propenoic acid
  355866.6450  0.0206 -5.7151 3  703.3125143  72503 303711062      71 863        s-trans-Propenoic acid
  355866.6450  0.0206 -5.2405 3  703.3125143  72503 303711062      71 963        s-trans-Propenoic acid
  355932.9387  0.0375 -4.5664 3  582.1456 95  72503 303473314      463313        s-trans-Propenoic acid
  355932.9387  0.0375 -4.5664 3  582.1456 95  72503 303473315      463314        s-trans-Propenoic acid
  356097.4757  0.0180 -5.6618 3  394.8090 97  72503 303481434      481137        s-trans-Propenoic acid
  356139.4753  0.2170 -5.4474 3  933.0443149  72503 303742846      742747        s-trans-Propenoic acid
  356139.6417  0.2170 -5.4474 3  933.0443149  72503 303742847      742748        s-trans-Propenoic acid
  356143.8170  0.0348 -4.5102 3  567.2018 95  72503 303473215      463214        s-trans-Propenoic acid
  356143.8170  0.0348 -4.5102 3  567.2018 95  72503 303473216      463215        s-trans-Propenoic acid
  356223.8991  0.1878 -5.9853 3 1219.9638183  72503 303911972      911873        s-trans-Propenoic acid
  356248.0325  0.1880 -5.9853 3 1219.9639183  72503 303912072      911973        s-trans-Propenoic acid
  356350.5893  0.1282 -5.5319 3  619.2216125  72503 303621745      611844        s-trans-Propenoic acid
  356351.0940  0.0030 -3.8338 3  352.9801 93  72503 303461036      451035        s-trans-Propenoic acid
  356352.8364  0.0161 -5.1750 3  588.2665133  72503 30366 660      66 561        s-trans-Propenoic acid
  356352.8364  0.0161 -5.6214 3  588.2665133  72503 30366 660      66 661        s-trans-Propenoic acid
  356352.8364  0.0161 -5.6214 3  588.2665133  72503 30366 760      66 561        s-trans-Propenoic acid
  356352.8364  0.0161 -5.1750 3  588.2665133  72503 30366 760      66 661        s-trans-Propenoic acid
  356371.5359  0.0323 -4.4570 3  552.7253 95  72503 303473116      463115        s-trans-Propenoic acid
  356371.5359  0.0323 -4.4570 3  552.7253 95  72503 303473117      463116        s-trans-Propenoic acid
  356434.4174  0.0212 -6.1281 3  364.9886 93  72503 303461333      461136        s-trans-Propenoic acid
  356468.2028  0.0866 -5.0353 3  663.0133119  72503 303592732      592633        s-trans-Propenoic acid
  356468.2028  0.0866 -5.0353 3  663.0133119  72503 303592733      592634        s-trans-Propenoic acid
  356522.2941  0.0050 -3.9396 3  388.4496 93  72503 303461730      451729        s-trans-Propenoic acid
  356530.3503  0.0050 -3.9396 3  388.4498 93  72503 303461729      451728        s-trans-Propenoic acid
  356618.6184  0.0298 -4.4065 3  538.7173 95  72503 303473017      463016        s-trans-Propenoic acid
  356618.6184  0.0298 -4.4065 3  538.7173 95  72503 303473018      463017        s-trans-Propenoic acid
  356638.2770  0.0075 -4.6921 3  307.1154 85  72503 303421132      411031        s-trans-Propenoic acid
  356735.4337  0.0191 -4.8964 3  400.5798 99  72503 303491237      481336        s-trans-Propenoic acid
  356749.9820  0.0028 -4.6070 3  188.3436 61  72503 303301020      29 921        s-trans-Propenoic acid
  356888.0646  0.0275 -4.3586 3  525.1789 95  72503 303472918      462917        s-trans-Propenoic acid
  356888.0646  0.0275 -4.3586 3  525.1789 95  72503 303472919      462918        s-trans-Propenoic acid
  356963.6742  0.0039 -5.7450 3  128.2027 47  72503 30323 717      22 518        s-trans-Propenoic acid
  356971.2557  0.0048 -4.6331 3  341.2674 91  72503 303451135      441034        s-trans-Propenoic acid
  357183.4690  0.0252 -4.3129 3  512.1114 95  72503 303472819      462818        s-trans-Propenoic acid
  357183.4690  0.0252 -4.3129 3  512.1114 95  72503 303472820      462819        s-trans-Propenoic acid
  357199.2600  0.0829 -5.0147 3  647.9217117  72503 303582731      582632        s-trans-Propenoic acid
  357199.2600  0.0829 -5.0147 3  647.9217117  72503 303582732      582633        s-trans-Propenoic acid
  357228.9653  0.0139 -4.2063 3  151.5035 35  72503 3031717 0      1616 1        s-trans-Propenoic acid
  357228.9653  0.0139 -4.2063 3  151.5035 35  72503 3031717 1      1616 0        s-trans-Propenoic acid
  357290.5181  0.0298 -5.9247 3  445.4540103  72503 303511635      511438        s-trans-Propenoic acid
  357305.9646  0.0245 -5.2869 3  749.2253147  72503 303731063      73 964        s-trans-Propenoic acid
  357305.9646  0.0245 -5.7709 3  749.2253147  72503 303731063      731064        s-trans-Propenoic acid
  357305.9649  0.0245 -5.7709 3  749.2253147  72503 303731163      73 964        s-trans-Propenoic acid
  357305.9649  0.0245 -5.2869 3  749.2253147  72503 303731163      731064        s-trans-Propenoic acid
  357397.4238  0.0111 -5.9190 3  296.7286 79  72503 303391525      391326        s-trans-Propenoic acid
  357397.7337  0.0288 -5.9100 3  432.0411101  72503 303501634      501437        s-trans-Propenoic acid
  357509.1756  0.0229 -4.2694 3  499.5165 95  72503 303472720      462719        s-trans-Propenoic acid
  357509.1756  0.0229 -4.2694 3  499.5165 95  72503 303472721      462720        s-trans-Propenoic acid
  357573.1182  0.2041 -5.4137 3  913.9360147  72503 303732845      732746        s-trans-Propenoic acid
  357573.2001  0.2041 -5.4137 3  913.9360147  72503 303732846      732747        s-trans-Propenoic acid
  357580.2457  0.0147 -5.2063 3  520.8453127  72503 30363 459      63 360        s-trans-Propenoic acid
  357580.2457  0.0147 -5.6351 3  520.8453127  72503 30363 459      63 460        s-trans-Propenoic acid
  357580.2457  0.0147 -5.6351 3  520.8453127  72503 30363 559      63 360        s-trans-Propenoic acid
  357580.2457  0.0147 -5.2063 3  520.8453127  72503 30363 559      63 460        s-trans-Propenoic acid
  357709.2904  0.0030 -3.8060 3  333.4378 89  72503 303441133      431132        s-trans-Propenoic acid
  357862.7452  0.0070 -3.8059 3  394.7364113  72503 30356 155      55 154        s-trans-Propenoic acid
  357862.7452  0.0070 -4.2089 3  394.7364113  72503 30356 155      55 254        s-trans-Propenoic acid
  357862.7452  0.0070 -4.2089 3  394.7364113  72503 30356 255      55 154        s-trans-Propenoic acid
  357862.7452  0.0070 -3.8059 3  394.7364113  72503 30356 255      55 254        s-trans-Propenoic acid
  357863.9670  0.0061 -3.8147 3  393.7036111  72503 30355 253      54 252        s-trans-Propenoic acid
  357863.9670  0.0061 -4.2367 3  393.7036111  72503 30355 253      54 352        s-trans-Propenoic acid
  357863.9670  0.0061 -4.2367 3  393.7036111  72503 30355 353      54 252        s-trans-Propenoic acid
  357863.9670  0.0061 -3.8147 3  393.7036111  72503 30355 353      54 352        s-trans-Propenoic acid
  357866.0205  0.0086 -3.7962 3  395.2539115  72503 30357 057      56 056        s-trans-Propenoic acid
  357866.0205  0.0086 -4.1822 3  395.2539115  72503 30357 057      56 156        s-trans-Propenoic acid
  357866.0205  0.0086 -4.1822 3  395.2539115  72503 30357 157      56 056        s-trans-Propenoic acid
  357866.0205  0.0086 -3.7962 3  395.2539115  72503 30357 157      56 156        s-trans-Propenoic acid
  357870.4856  0.0208 -4.2281 3  487.3961 95  72503 303472621      462620        s-trans-Propenoic acid
  357870.4856  0.0208 -4.2281 3  487.3961 95  72503 303472622      462621        s-trans-Propenoic acid
  357876.5508  0.0056 -3.8226 3  392.1473109  72503 30354 351      53 350        s-trans-Propenoic acid
  357876.5508  0.0056 -4.2657 3  392.1473109  72503 30354 351      53 450        s-trans-Propenoic acid
  357876.5508  0.0056 -4.2657 3  392.1473109  72503 30354 451      53 350        s-trans-Propenoic acid
  357876.5508  0.0056 -3.8226 3  392.1473109  72503 30354 451      53 450        s-trans-Propenoic acid
  357890.7580  0.0796 -4.9951 3  633.0959115  72503 303572730      572631        s-trans-Propenoic acid
  357890.7580  0.0796 -4.9951 3  633.0959115  72503 303572731      572632        s-trans-Propenoic acid
  357903.5737  0.1548 -5.8866 3 1162.6400179  72503 303891871      891772        s-trans-Propenoic acid
  357910.7592  0.0052 -3.8294 3  390.0567107  72503 30353 449      52 448        s-trans-Propenoic acid
  357910.7592  0.0052 -4.2967 3  390.0567107  72503 30353 449      52 548        s-trans-Propenoic acid
  357910.7592  0.0052 -4.2967 3  390.0567107  72503 30353 549      52 448        s-trans-Propenoic acid
  357910.7592  0.0052 -3.8294 3  390.0567107  72503 30353 549      52 548        s-trans-Propenoic acid
  357911.8780  0.1549 -5.8866 3 1162.6400179  72503 303891971      891872        s-trans-Propenoic acid
  357966.6037  0.3823 -5.7795 3 1128.8695167  72503 303832954      832855        s-trans-Propenoic acid
  357967.0135  0.0160 -5.3704 3  456.4940121  72503 30360 258      60 159        s-trans-Propenoic acid
  357967.0135  0.0160 -5.7825 3  456.4940121  72503 30360 258      60 259        s-trans-Propenoic acid
  357967.0135  0.0160 -5.7825 3  456.4940121  72503 30360 358      60 159        s-trans-Propenoic acid
  357967.0135  0.0160 -5.3704 3  456.4940121  72503 30360 358      60 259        s-trans-Propenoic acid
  357972.9391  0.3822 -5.7795 3 1128.8692167  72503 303832955      832856        s-trans-Propenoic acid
  357982.3601  0.0048 -4.3301 3  387.4178105  72503 30352 547      51 646        s-trans-Propenoic acid
  357982.3602  0.0048 -3.8351 3  387.4178105  72503 30352 647      51 646        s-trans-Propenoic acid
  357982.3604  0.0048 -3.8351 3  387.4178105  72503 30352 547      51 546        s-trans-Propenoic acid
  357982.3605  0.0048 -4.3301 3  387.4178105  72503 30352 647      51 546        s-trans-Propenoic acid
  358116.5046  0.0044 -4.3670 3  384.2119103  72503 30351 645      50 744        s-trans-Propenoic acid
  358116.5119  0.0044 -3.8396 3  384.2119103  72503 30351 745      50 744        s-trans-Propenoic acid
  358116.5191  0.0044 -3.8396 3  384.2119103  72503 30351 645      50 644        s-trans-Propenoic acid
  358116.5263  0.0044 -4.3670 3  384.2119103  72503 30351 745      50 644        s-trans-Propenoic acid
  358131.6440  0.0035 -4.6128 3  364.9886 95  72503 303471037      461136        s-trans-Propenoic acid
  358153.9583  0.0042 -3.9131 3  381.3426 93  72503 303461631      451630        s-trans-Propenoic acid
  358231.6549  0.0042 -3.9129 3  381.3453 93  72503 303461630      451629        s-trans-Propenoic acid
  358257.6722  0.6140 -6.1263 3 1322.8462183  72503 303913061      912962        s-trans-Propenoic acid
  358273.9392  0.0187 -4.1886 3  475.7526 95  72503 303472522      462521        s-trans-Propenoic acid
  358273.9392  0.0187 -4.1886 3  475.7526 95  72503 303472523      462522        s-trans-Propenoic acid
  358299.3117  0.0052 -5.9778 3  107.6271 43  72503 30321 318      20 219        s-trans-Propenoic acid
  358345.0901  0.6126 -6.1261 3 1322.8429183  72503 303913062      912963        s-trans-Propenoic acid
  358355.2002  0.0040 -4.4087 3  380.4127101  72503 30350 743      49 842        s-trans-Propenoic acid
  358355.4687  0.0040 -3.8427 3  380.4127101  72503 30350 843      49 842        s-trans-Propenoic acid
  358355.7184  0.0040 -3.8427 3  380.4127101  72503 30350 743      49 742        s-trans-Propenoic acid
  358355.9870  0.0040 -4.4087 3  380.4127101  72503 30350 843      49 742        s-trans-Propenoic acid
  358471.4836  0.0106 -4.2384 3  153.1734 39  72503 3031916 3      1815 4        s-trans-Propenoic acid
  358471.4836  0.0106 -4.2384 3  153.1734 39  72503 3031916 4      1815 3        s-trans-Propenoic acid
  358484.0397  0.0304 -5.8345 3  796.4359151  72503 303751164      751165        s-trans-Propenoic acid
  358484.0398  0.0304 -5.3409 3  796.4359151  72503 303751164      751065        s-trans-Propenoic acid
  358484.0410  0.0304 -5.3409 3  796.4359151  72503 303751264      751165        s-trans-Propenoic acid
  358484.0411  0.0304 -5.8345 3  796.4359151  72503 303751264      751065        s-trans-Propenoic acid
  358530.9619  0.0180 -5.1920 3  630.8681137  72503 30368 761      68 662        s-trans-Propenoic acid
  358530.9619  0.0180 -5.6471 3  630.8681137  72503 30368 761      68 762        s-trans-Propenoic acid
  358530.9619  0.0180 -5.6471 3  630.8681137  72503 30368 861      68 662        s-trans-Propenoic acid
  358530.9619  0.0180 -5.1920 3  630.8681137  72503 30368 861      68 762        s-trans-Propenoic acid
  358544.5744  0.0767 -4.9765 3  618.5352113  72503 303562729      562630        s-trans-Propenoic acid
  358544.5744  0.0767 -4.9765 3  618.5352113  72503 303562730      562631        s-trans-Propenoic acid
  358629.8281  0.0145 -5.9339 3  274.5808 77  72503 303381325      381028        s-trans-Propenoic acid
  358723.2840  0.0243 -6.0094 3  439.7578103  72503 303511536      511339        s-trans-Propenoic acid
  358727.7102  0.0167 -4.1511 3  464.5888 95  72503 303472423      462422        s-trans-Propenoic acid
  358727.7102  0.0167 -4.1511 3  464.5888 95  72503 303472424      462423        s-trans-Propenoic acid
  358734.0495  0.0109 -5.9161 3  296.6844 79  72503 303391524      391327        s-trans-Propenoic acid
  358766.2571  0.0036 -4.4579 3  375.9821 99  72503 30349 841      48 940        s-trans-Propenoic acid
  358773.7558  0.0036 -3.8439 3  375.9821 99  72503 30349 941      48 940        s-trans-Propenoic acid
  358780.1199  0.0036 -3.8439 3  375.9817 99  72503 30349 841      48 840        s-trans-Propenoic acid
  358787.6186  0.0036 -4.4579 3  375.9817 99  72503 30349 941      48 840        s-trans-Propenoic acid
  358814.5677  0.0051 -5.9768 3  107.6270 43  72503 30321 418      20 119        s-trans-Propenoic acid
  358893.7442  0.0052 -5.7017 3  116.1280 45  72503 30322 418      21 319        s-trans-Propenoic acid
  358923.8019  0.0052 -6.0853 3  116.1270 45  72503 30322 418      21 219        s-trans-Propenoic acid
  358932.6829  0.1921 -5.3810 3  895.1025145  72503 303722844      722745        s-trans-Propenoic acid
  358932.7226  0.1921 -5.3810 3  895.1025145  72503 303722845      722746        s-trans-Propenoic acid
  359009.3146  0.0273 -5.8996 3  418.8812 99  72503 303491633      491436        s-trans-Propenoic acid
  359107.0504  0.1263 -5.7928 3 1106.5512175  72503 303871770      871671        s-trans-Propenoic acid
  359109.7843  0.1263 -5.7928 3 1106.5512175  72503 303871870      871771        s-trans-Propenoic acid
  359162.4841  0.0742 -4.9589 3  604.2390111  72503 303552728      552629        s-trans-Propenoic acid
  359162.4841  0.0742 -4.9589 3  604.2390111  72503 303552729      552630        s-trans-Propenoic acid
  359221.9848  0.0303 -5.9450 3  459.1114105  72503 303521636      521439        s-trans-Propenoic acid
  359242.1677  0.0148 -4.1153 3  453.9083 95  72503 303472324      462323        s-trans-Propenoic acid
  359242.1677  0.0148 -4.1153 3  453.9083 95  72503 303472325      462324        s-trans-Propenoic acid
  359329.4873  0.0033 -4.5198 3  370.8627 97  72503 30348 939      471038        s-trans-Propenoic acid
  359386.9632  0.0386 -5.9052 3  844.9373155  72503 303771265      771266        s-trans-Propenoic acid
  359386.9636  0.0386 -5.4017 3  844.9373155  72503 303771265      771166        s-trans-Propenoic acid
  359386.9686  0.0386 -5.4017 3  844.9373155  72503 303771365      771266        s-trans-Propenoic acid
  359386.9690  0.0386 -5.9052 3  844.9373155  72503 303771365      771166        s-trans-Propenoic acid
  359483.9924  0.0033 -3.8430 3  370.8627 97  72503 303481039      471038        s-trans-Propenoic acid
  359600.3456  0.0033 -3.8427 3  370.8537 97  72503 30348 939      47 938        s-trans-Propenoic acid
  359675.6029  0.0078 -4.2722 3  156.3478 43  72503 3032115 6      2014 7        s-trans-Propenoic acid
  359675.6029  0.0078 -4.2722 3  156.3478 43  72503 3032115 7      2014 6        s-trans-Propenoic acid
  359734.5858  0.0039 -5.9786 3  112.9278 39  72503 30319 910      18 711        s-trans-Propenoic acid
  359746.1678  0.0721 -4.9424 3  590.2069109  72503 303542727      542628        s-trans-Propenoic acid
  359746.1678  0.0721 -4.9424 3  590.2069109  72503 303542728      542629        s-trans-Propenoic acid
  359754.8506  0.0033 -4.5187 3  370.8537 97  72503 303481039      47 938        s-trans-Propenoic acid
  359765.7007  0.0081 -4.7065 3  296.0678 83  72503 303411131      401030        s-trans-Propenoic acid
  359827.7448  0.0030 -3.8390 3  358.4322 93  72503 303461235      451234        s-trans-Propenoic acid
  359830.7034  0.0130 -4.0811 3  443.7154 95  72503 303472225      462224        s-trans-Propenoic acid
  359830.7034  0.0130 -4.0811 3  443.7154 95  72503 303472226      462225        s-trans-Propenoic acid
  359848.0523  0.0253 -5.9029 3  381.2861 93  72503 303461631      461432        s-trans-Propenoic acid
  359883.2999  0.1018 -5.7040 3 1051.7066171  72503 303851669      851570        s-trans-Propenoic acid
  359884.1597  0.1018 -5.7039 3 1051.7066171  72503 303851769      851670        s-trans-Propenoic acid
  359972.2772  0.3607 -5.7385 3 1107.3163165  72503 303822953      822854        s-trans-Propenoic acid
  359975.6601  0.3607 -5.7385 3 1107.3162165  72503 303822954      822855        s-trans-Propenoic acid
  359998.6871  0.0497 -5.9824 3  894.7225159  72503 303791366      791367        s-trans-Propenoic acid
  359998.6886  0.0497 -5.4688 3  894.7225159  72503 303791366      791267        s-trans-Propenoic acid
  359998.7085  0.0497 -5.4688 3  894.7225159  72503 303791466      791367        s-trans-Propenoic acid
  359998.7099  0.0497 -5.9824 3  894.7225159  72503 303791466      791267        s-trans-Propenoic acid
  360006.0448  0.0042 -4.6145 3  352.9801 93  72503 303461136      451035        s-trans-Propenoic acid
  360059.4154  0.0039 -5.4425 3  128.0994 47  72503 30323 717      22 418        s-trans-Propenoic acid
  360089.3682  0.0198 -5.7356 3  364.8666 93  72503 303461333      461036        s-trans-Propenoic acid
  360145.8650  0.0037 -3.8876 3  374.8255 93  72503 303461532      451531        s-trans-Propenoic acid
  360182.9321  0.0049 -3.8082 3  336.5862 89  72503 303441232      431231        s-trans-Propenoic acid
  360196.2303  0.0164 -5.1884 3  561.4131131  72503 30365 560      65 461        s-trans-Propenoic acid
  360196.2303  0.0164 -5.6255 3  561.4131131  72503 30365 560      65 561        s-trans-Propenoic acid
  360196.2303  0.0164 -5.6255 3  561.4131131  72503 30365 660      65 461        s-trans-Propenoic acid
  360196.2303  0.0164 -5.1884 3  561.4131131  72503 30365 660      65 561        s-trans-Propenoic acid
  360222.4133  0.1808 -5.3491 3  876.5429143  72503 303712843      712744        s-trans-Propenoic acid
  360222.4324  0.1808 -5.3491 3  876.5429143  72503 303712844      712745        s-trans-Propenoic acid
  360270.7410  0.0810 -5.6202 3  998.1148167  72503 303831568      831469        s-trans-Propenoic acid
  360270.9987  0.0810 -5.6202 3  998.1148167  72503 303831668      831569        s-trans-Propenoic acid
  360281.5234  0.0027 -4.4924 3  184.8283 59  72503 303291119      281018        s-trans-Propenoic acid
  360297.2203  0.0703 -4.9269 3  576.4383107  72503 303532726      532627        s-trans-Propenoic acid
  360297.2203  0.0703 -4.9269 3  576.4383107  72503 303532727      532628        s-trans-Propenoic acid
  360300.5611  0.0637 -6.0657 3  945.7842163  72503 303811467      811468        s-trans-Propenoic acid
  360300.5671  0.0637 -5.5418 3  945.7842163  72503 303811467      811368        s-trans-Propenoic acid
  360300.6406  0.0637 -5.5418 3  945.7842163  72503 303811567      811468        s-trans-Propenoic acid
  360300.6466  0.0637 -6.0657 3  945.7842163  72503 303811567      811368        s-trans-Propenoic acid
  360376.7611  0.0030 -3.8398 3  364.9886 95  72503 303471137      461136        s-trans-Propenoic acid
  360485.0150  0.0202 -5.2211 3  674.7878141  72503 30370 862      70 763        s-trans-Propenoic acid
  360485.0150  0.0202 -5.6851 3  674.7878141  72503 30370 862      70 863        s-trans-Propenoic acid
  360485.0150  0.0202 -5.6851 3  674.7878141  72503 30370 962      70 763        s-trans-Propenoic acid
  360485.0150  0.0202 -5.2211 3  674.7878141  72503 30370 962      70 863        s-trans-Propenoic acid
  360510.9937  0.0113 -4.0486 3  434.0159 95  72503 303472127      462126        s-trans-Propenoic acid
  360510.9941  0.0113 -4.0486 3  434.0159 95  72503 303472126      462125        s-trans-Propenoic acid
  360560.6419  0.0038 -5.9773 3  112.9000 39  72503 30319 911      18 712        s-trans-Propenoic acid
  360745.8050  0.0039 -3.8862 3  374.8506 93  72503 303461531      451530        s-trans-Propenoic acid
  360773.8835  0.0056 -4.3098 3  161.0481 47  72503 303231410      2213 9        s-trans-Propenoic acid
  360773.8839  0.0056 -4.3098 3  161.0481 47  72503 3032314 9      221310        s-trans-Propenoic acid
  360817.1567  0.0688 -4.9126 3  562.9327105  72503 303522725      522626        s-trans-Propenoic acid
  360817.1567  0.0688 -4.9126 3  562.9327105  72503 303522726      522627        s-trans-Propenoic acid
  360946.7343  0.5802 -6.0785 3 1299.0918181  72503 303903060      902961        s-trans-Propenoic acid
  360954.3076  0.1631 -5.6326 3  676.1510131  72503 303651847      641946        s-trans-Propenoic acid
  360976.7109  0.0198 -5.6114 3  431.6871119  72503 30359 158      59 059        s-trans-Propenoic acid
  360976.7109  0.0198 -6.0153 3  431.6871119  72503 30359 158      59 159        s-trans-Propenoic acid
  360976.7109  0.0198 -6.0153 3  431.6871119  72503 30359 258      59 059        s-trans-Propenoic acid
  360976.7109  0.0198 -5.6114 3  431.6871119  72503 30359 258      59 159        s-trans-Propenoic acid
  360980.6983  0.0159 -5.2684 3  495.0023125  72503 30362 359      62 260        s-trans-Propenoic acid
  360980.6983  0.0159 -5.6885 3  495.0023125  72503 30362 359      62 360        s-trans-Propenoic acid
  360980.6983  0.0159 -5.6885 3  495.0023125  72503 30362 459      62 260        s-trans-Propenoic acid
  360980.6983  0.0159 -5.2684 3  495.0023125  72503 30362 459      62 360        s-trans-Propenoic acid
  360996.3750  0.5794 -6.0784 3 1299.0899181  72503 303903061      902962        s-trans-Propenoic acid
  361138.5294  0.0106 -5.9312 3  286.5434 77  72503 303381524      381325        s-trans-Propenoic acid
  361215.9116  0.0044 -4.7926 3  184.6887 61  72503 30330 921      29 822        s-trans-Propenoic acid
  361290.6668  0.0027 -4.4905 3  184.8001 59  72503 303291118      281019        s-trans-Propenoic acid
  361307.0111  0.0096 -4.0176 3  424.8171 95  72503 303472028      462027        s-trans-Propenoic acid
  361307.0186  0.0096 -4.0176 3  424.8171 95  72503 303472027      462026        s-trans-Propenoic acid
  361307.4189  0.0676 -4.8994 3  549.6897103  72503 303512724      512625        s-trans-Propenoic acid
  361307.4189  0.0676 -4.8994 3  549.6897103  72503 303512725      512626        s-trans-Propenoic acid
  361411.3865  0.2342 -6.1210 3 1302.1448189  72503 303942074      941975        s-trans-Propenoic acid
  361446.1992  0.1702 -5.3181 3  858.2562141  72503 303702842      702743        s-trans-Propenoic acid
  361446.2081  0.1702 -5.3181 3  858.2562141  72503 303702843      702744        s-trans-Propenoic acid
  361451.0892  0.2345 -6.1209 3 1302.1449189  72503 303942174      942075        s-trans-Propenoic acid
  361624.0695  0.0039 -4.3544 3  167.3094 51  72503 303251313      241212        s-trans-Propenoic acid
  361624.2045  0.0039 -4.3544 3  167.3094 51  72503 303251312      241213        s-trans-Propenoic acid
  361628.3843  0.2628 -6.0660 3  911.2497153  72503 303762254      752353        s-trans-Propenoic acid
  361642.2713  0.0856 -5.8542 3  830.4673 97  72503 3034846 2      4746 1        s-trans-Propenoic acid
  361642.2713  0.0856 -5.8542 3  830.4673 97  72503 3034846 3      4746 2        s-trans-Propenoic acid
  361670.1050  0.0255 -5.8925 3  405.9825 97  72503 303481632      481435        s-trans-Propenoic acid
  361684.3474  0.0066 -5.3455 3  139.8564 51  72503 30325 619      24 520        s-trans-Propenoic acid
  361757.8234  0.0816 -5.6388 3  809.5043 97  72503 3034845 3      4745 2        s-trans-Propenoic acid
  361757.8234  0.0816 -5.6388 3  809.5043 97  72503 3034845 4      4745 3        s-trans-Propenoic acid
  361769.3808  0.0667 -4.8874 3  536.7087101  72503 303502723      502624        s-trans-Propenoic acid
  361769.3808  0.0667 -4.8874 3  536.7087101  72503 303502724      502625        s-trans-Propenoic acid
  361786.5948  0.0032 -3.8360 3  364.8666 95  72503 303471037      461036        s-trans-Propenoic acid
  361864.5701  0.0105 -5.9297 3  286.5194 77  72503 303381523      381326        s-trans-Propenoic acid
  361870.3164  0.3403 -5.6984 3 1086.0446163  72503 303812952      812853        s-trans-Propenoic acid
  361872.0998  0.3403 -5.6984 3 1086.0445163  72503 303812953      812854        s-trans-Propenoic acid
  361877.0785  0.0777 -5.4756 3  789.0025 97  72503 3034844 4      4744 3        s-trans-Propenoic acid
  361877.0785  0.0777 -5.4756 3  789.0025 97  72503 3034844 5      4744 4        s-trans-Propenoic acid
  361899.8372  0.0029 -4.4109 3  175.1925 55  72503 303271216      261115        s-trans-Propenoic acid
  361917.6451  0.0029 -4.4109 3  175.1920 55  72503 303271215      261116        s-trans-Propenoic acid
  361944.3675  0.0511 -5.1571 3  478.8280109  72503 303541440      531539        s-trans-Propenoic acid
  361989.4853  0.0048 -6.0806 3  116.1280 45  72503 30322 518      21 319        s-trans-Propenoic acid
  362000.4865  0.0740 -5.3414 3  768.9620 97  72503 3034843 5      4743 4        s-trans-Propenoic acid
  362000.4865  0.0740 -5.3414 3  768.9620 97  72503 3034843 6      4743 5        s-trans-Propenoic acid
  362019.5431  0.0048 -5.6972 3  116.1270 45  72503 30322 518      21 219        s-trans-Propenoic acid
  362084.0792  0.0035 -3.8641 3  368.9179 93  72503 303461433      451432        s-trans-Propenoic acid
  362128.5527  0.0702 -5.2259 3  749.3833 97  72503 3034842 6      4742 5        s-trans-Propenoic acid
  362128.5527  0.0702 -5.2259 3  749.3833 97  72503 3034842 7      4742 6        s-trans-Propenoic acid
  362204.3539  0.0660 -4.8766 3  523.9892 99  72503 303492722      492623        s-trans-Propenoic acid
  362204.3539  0.0660 -4.8766 3  523.9892 99  72503 303492723      492624        s-trans-Propenoic acid
  362206.1503  0.0229 -5.2602 3  720.0192145  72503 30372 963      72 864        s-trans-Propenoic acid
  362206.1503  0.0229 -5.7332 3  720.0192145  72503 30372 963      72 964        s-trans-Propenoic acid
  362206.1504  0.0229 -5.7332 3  720.0192145  72503 303721063      72 864        s-trans-Propenoic acid
  362206.1504  0.0229 -5.2602 3  720.0192145  72503 303721063      72 964        s-trans-Propenoic acid
  362252.3887  0.0081 -3.9880 3  416.1286 95  72503 303471929      461928        s-trans-Propenoic acid
  362252.5013  0.0081 -3.9880 3  416.1286 95  72503 303471928      461927        s-trans-Propenoic acid
  362261.8459  0.0666 -5.1237 3  730.2666 97  72503 3034841 7      4741 6        s-trans-Propenoic acid
  362261.8459  0.0666 -5.1237 3  730.2666 97  72503 3034841 8      4741 7        s-trans-Propenoic acid
  362401.0082  0.0631 -5.0314 3  711.6122 97  72503 3034840 8      4740 7        s-trans-Propenoic acid
  362401.0082  0.0631 -5.0314 3  711.6122 97  72503 3034840 9      4740 8        s-trans-Propenoic acid
  362530.3342  0.0033 -3.8466 3  363.5455 93  72503 303461334      451333        s-trans-Propenoic acid
  362546.7672  0.0596 -4.9470 3  693.4207 97  72503 3034839 9      4739 8        s-trans-Propenoic acid
  362546.7672  0.0596 -4.9470 3  693.4207 97  72503 303483910      4739 9        s-trans-Propenoic acid
  362607.0534  0.0183 -5.1914 3  603.3120135  72503 30367 661      67 562        s-trans-Propenoic acid
  362607.0534  0.0183 -5.6369 3  603.3120135  72503 30367 661      67 662        s-trans-Propenoic acid
  362607.0534  0.0183 -5.6369 3  603.3120135  72503 30367 761      67 562        s-trans-Propenoic acid
  362607.0534  0.0183 -5.1914 3  603.3120135  72503 30367 761      67 662        s-trans-Propenoic acid
  362607.6191  0.1603 -5.2881 3  840.2417139  72503 303692841      692742        s-trans-Propenoic acid
  362607.6232  0.1603 -5.2881 3  840.2417139  72503 303692842      692743        s-trans-Propenoic acid
  362613.5909  0.0654 -4.8672 3  511.5310 97  72503 303482721      482622        s-trans-Propenoic acid
  362613.5909  0.0654 -4.8672 3  511.5310 97  72503 303482722      482623        s-trans-Propenoic acid
  362669.0339  0.0137 -6.0243 3  262.4835 77  72503 303381028      38 731        s-trans-Propenoic acid
  362699.9503  0.0563 -4.8690 3  675.6925 97  72503 303483810      4738 9        s-trans-Propenoic acid
  362699.9503  0.0563 -4.8690 3  675.6925 97  72503 303483811      473810        s-trans-Propenoic acid
  362750.0688  0.0064 -5.7014 3  139.8208 51  72503 30325 619      24 420        s-trans-Propenoic acid
  362861.5012  0.0530 -4.7963 3  658.4279 97  72503 303483711      473710        s-trans-Propenoic acid
  362861.5012  0.0530 -4.7963 3  658.4279 97  72503 303483712      473711        s-trans-Propenoic acid
  362998.2905  0.0651 -4.8591 3  499.3334 95  72503 303472720      472621        s-trans-Propenoic acid
  362998.2905  0.0651 -4.8591 3  499.3334 95  72503 303472721      472622        s-trans-Propenoic acid
  363032.5014  0.0498 -4.7283 3  641.6276 97  72503 303483612      473611        s-trans-Propenoic acid
  363032.5014  0.0498 -4.7283 3  641.6276 97  72503 303483613      473612        s-trans-Propenoic acid
  363214.1947  0.0467 -4.6642 3  625.2921 97  72503 303483513      473512        s-trans-Propenoic acid
  363214.1947  0.0467 -4.6642 3  625.2921 97  72503 303483514      473513        s-trans-Propenoic acid
  363241.4857  0.0030 -3.8091 3  345.3697 91  72503 303451134      441133        s-trans-Propenoic acid
  363269.0197  0.0058 -3.8305 3  352.2944 91  72503 303451332      441331        s-trans-Propenoic acid
  363323.0974  0.0076 -6.1319 3  204.4727 65  72503 303321023      32 726        s-trans-Propenoic acid
  363359.6004  0.0648 -4.8524 3  487.3961 93  72503 303462719      462620        s-trans-Propenoic acid
  363359.6004  0.0648 -4.8524 3  487.3961 93  72503 303462720      462621        s-trans-Propenoic acid
  363396.1405  0.0067 -3.9597 3  407.9640 95  72503 303471830      461829        s-trans-Propenoic acid
  363397.5952  0.0067 -3.9597 3  407.9640 95  72503 303471829      461828        s-trans-Propenoic acid
  363408.0190  0.0437 -4.6038 3  609.4221 97  72503 303483414      473413        s-trans-Propenoic acid
  363408.0190  0.0437 -4.6038 3  609.4221 97  72503 303483415      473414        s-trans-Propenoic acid
  363424.0360  0.0042 -5.3568 3  166.0121 57  72503 30328 820      27 621        s-trans-Propenoic acid
  363433.5495  0.1952 -6.0165 3 1242.9573185  72503 303921973      921874        s-trans-Propenoic acid
  363447.5806  0.1953 -6.0165 3 1242.9573185  72503 303922073      921974        s-trans-Propenoic acid
  363474.0035  0.5485 -6.0318 3 1275.6263179  72503 303893059      892960        s-trans-Propenoic acid
  363501.8446  0.5481 -6.0317 3 1275.6253179  72503 303893060      892961        s-trans-Propenoic acid
  363615.6438  0.0407 -4.5466 3  594.0183 97  72503 303483315      473314        s-trans-Propenoic acid
  363615.6438  0.0407 -4.5466 3  594.0183 97  72503 303483316      473315        s-trans-Propenoic acid
  363668.3129  0.3210 -5.6593 3 1065.0529161  72503 303802951      802852        s-trans-Propenoic acid
  363669.2411  0.3210 -5.6592 3 1065.0529161  72503 303802952      802853        s-trans-Propenoic acid
  363684.3460  0.0270 -5.3079 3  766.5557149  72503 303741064      74 965        s-trans-Propenoic acid
  363684.3460  0.0270 -5.7901 3  766.5557149  72503 303741064      741065        s-trans-Propenoic acid
  363684.3462  0.0270 -5.7901 3  766.5557149  72503 303741164      74 965        s-trans-Propenoic acid
  363684.3462  0.0270 -5.3079 3  766.5557149  72503 303741164      741065        s-trans-Propenoic acid
  363698.6210  0.0648 -4.8473 3  475.7187 91  72503 303452718      452619        s-trans-Propenoic acid
  363698.6210  0.0648 -4.8473 3  475.7187 91  72503 303452719      452620        s-trans-Propenoic acid
  363709.9775  0.1510 -5.2588 3  822.4985137  72503 303682840      682741        s-trans-Propenoic acid
  363709.9794  0.1510 -5.2588 3  822.4985137  72503 303682841      682742        s-trans-Propenoic acid
  363796.6958  0.0309 -5.9726 3  473.0046107  72503 303531637      531440        s-trans-Propenoic acid
  363803.9016  0.0169 -5.2207 3  534.8543129  72503 30364 460      64 361        s-trans-Propenoic acid
  363803.9016  0.0169 -5.6488 3  534.8543129  72503 30364 460      64 461        s-trans-Propenoic acid
  363803.9016  0.0169 -5.6488 3  534.8543129  72503 30364 560      64 361        s-trans-Propenoic acid
  363803.9016  0.0169 -5.2207 3  534.8543129  72503 30364 560      64 461        s-trans-Propenoic acid
  363839.0186  0.0379 -4.4923 3  579.0815 97  72503 303483216      473215        s-trans-Propenoic acid
  363839.0186  0.0379 -4.4923 3  579.0815 97  72503 303483217      473216        s-trans-Propenoic acid
  364016.4081  0.0648 -4.8439 3  464.3008 89  72503 303442717      442618        s-trans-Propenoic acid
  364016.4081  0.0648 -4.8439 3  464.3008 89  72503 303442718      442619        s-trans-Propenoic acid
  364031.7119  0.0039 -4.5976 3  364.8666 95  72503 303471137      461036        s-trans-Propenoic acid
  364076.5235  0.0077 -3.8083 3  406.6734115  72503 30357 156      56 155        s-trans-Propenoic acid
  364076.5235  0.0077 -4.2108 3  406.6734115  72503 30357 156      56 255        s-trans-Propenoic acid
  364076.5235  0.0077 -4.2108 3  406.6734115  72503 30357 256      56 155        s-trans-Propenoic acid
  364076.5235  0.0077 -3.8083 3  406.6734115  72503 30357 256      56 255        s-trans-Propenoic acid
  364077.3545  0.0067 -3.8169 3  405.6407113  72503 30356 254      55 253        s-trans-Propenoic acid
  364077.3545  0.0067 -4.2380 3  405.6407113  72503 30356 254      55 353        s-trans-Propenoic acid
  364077.3545  0.0067 -4.2380 3  405.6407113  72503 30356 354      55 253        s-trans-Propenoic acid
  364077.3545  0.0067 -3.8169 3  405.6407113  72503 30356 354      55 353        s-trans-Propenoic acid
  364079.8932  0.0095 -3.7987 3  407.1910117  72503 30358 058      57 057        s-trans-Propenoic acid
  364079.8932  0.0095 -4.1846 3  407.1910117  72503 30358 058      57 157        s-trans-Propenoic acid
  364079.8932  0.0095 -4.1846 3  407.1910117  72503 30358 158      57 057        s-trans-Propenoic acid
  364079.8932  0.0095 -3.7987 3  407.1910117  72503 30358 158      57 157        s-trans-Propenoic acid
  364080.4332  0.0351 -4.4408 3  564.6126 97  72503 303483117      473116        s-trans-Propenoic acid
  364080.4332  0.0351 -4.4408 3  564.6126 97  72503 303483118      473117        s-trans-Propenoic acid
  364088.9293  0.0061 -3.8246 3  404.0848111  72503 30355 352      54 351        s-trans-Propenoic acid
  364088.9293  0.0061 -4.2664 3  404.0848111  72503 30355 352      54 451        s-trans-Propenoic acid
  364088.9293  0.0061 -4.2664 3  404.0848111  72503 30355 452      54 351        s-trans-Propenoic acid
  364088.9293  0.0061 -3.8246 3  404.0848111  72503 30355 452      54 451        s-trans-Propenoic acid
  364096.1702  0.0083 -4.7134 3  285.2140 81  72503 303401130      391029        s-trans-Propenoic acid
  364120.9468  0.0056 -3.8312 3  401.9953109  72503 30354 450      53 449        s-trans-Propenoic acid
  364120.9468  0.0056 -4.2965 3  401.9953109  72503 30354 450      53 549        s-trans-Propenoic acid
  364120.9468  0.0056 -4.2965 3  401.9953109  72503 30354 550      53 449        s-trans-Propenoic acid
  364120.9468  0.0056 -3.8312 3  401.9953109  72503 30354 550      53 549        s-trans-Propenoic acid
  364133.6298  0.0037 -5.7025 3  131.1957 47  72503 30323 816      22 617        s-trans-Propenoic acid
  364163.7237  0.0075 -4.7164 3  382.6618 97  72503 303481137      471236        s-trans-Propenoic acid
  364177.3234  0.0182 -5.3827 3  469.4672123  72503 30361 259      61 160        s-trans-Propenoic acid
  364177.3234  0.0182 -5.7944 3  469.4672123  72503 30361 259      61 260        s-trans-Propenoic acid
  364177.3234  0.0182 -5.7944 3  469.4672123  72503 30361 359      61 160        s-trans-Propenoic acid
  364177.3234  0.0182 -5.3827 3  469.4672123  72503 30361 359      61 260        s-trans-Propenoic acid
  364188.1635  0.0053 -4.3289 3  399.3588107  72503 30353 548      52 647        s-trans-Propenoic acid
  364188.1636  0.0053 -3.8367 3  399.3588107  72503 30353 648      52 647        s-trans-Propenoic acid
  364188.1637  0.0053 -3.8367 3  399.3588107  72503 30353 548      52 547        s-trans-Propenoic acid
  364188.1637  0.0053 -4.3289 3  399.3588107  72503 30353 648      52 547        s-trans-Propenoic acid
  364273.3902  0.0255 -6.0865 3  407.7644 99  72503 303491435      491238        s-trans-Propenoic acid
  364313.8417  0.0048 -4.3645 3  396.1574105  72503 30352 646      51 745        s-trans-Propenoic acid
  364313.8453  0.0048 -3.8410 3  396.1574105  72503 30352 746      51 745        s-trans-Propenoic acid
  364313.8489  0.0048 -3.8410 3  396.1574105  72503 30352 646      51 645        s-trans-Propenoic acid
  364313.8525  0.0048 -4.3645 3  396.1574105  72503 30352 746      51 645        s-trans-Propenoic acid
  364313.9756  0.0649 -4.8422 3  453.1420 87  72503 303432716      432617        s-trans-Propenoic acid
  364313.9756  0.0649 -4.8422 3  453.1420 87  72503 303432717      432618        s-trans-Propenoic acid
  364342.5937  0.0325 -4.3917 3  550.6128 97  72503 303483018      473017        s-trans-Propenoic acid
  364342.5937  0.0325 -4.3917 3  550.6128 97  72503 303483019      473018        s-trans-Propenoic acid
  364371.1999  0.0104 -5.9466 3  276.6478 75  72503 303371523      371324        s-trans-Propenoic acid
  364536.3636  0.0044 -4.4046 3  392.3662103  72503 30351 744      50 843        s-trans-Propenoic acid
  364536.5020  0.0044 -3.8439 3  392.3662103  72503 30351 844      50 843        s-trans-Propenoic acid
  364536.6321  0.0044 -3.8439 3  392.3662103  72503 30351 744      50 743        s-trans-Propenoic acid
  364536.7705  0.0044 -4.4046 3  392.3662103  72503 30351 844      50 743        s-trans-Propenoic acid
  364592.2982  0.0650 -4.8424 3  442.2420 85  72503 303422715      422616        s-trans-Propenoic acid
  364592.2982  0.0650 -4.8424 3  442.2420 85  72503 303422716      422617        s-trans-Propenoic acid
  364628.7215  0.0299 -4.3450 3  537.0834 97  72503 303482919      472918        s-trans-Propenoic acid
  364628.7215  0.0299 -4.3450 3  537.0834 97  72503 303482920      472919        s-trans-Propenoic acid
  364754.4884  0.0103 -5.9458 3  276.6351 75  72503 303371522      371325        s-trans-Propenoic acid
  364756.3353  0.1424 -5.2305 3  805.0258135  72503 303672839      672740        s-trans-Propenoic acid
  364756.3362  0.1424 -5.2305 3  805.0258135  72503 303672840      672741        s-trans-Propenoic acid
  364777.7221  0.0137 -4.1992 3  155.7912 37  72503 3031817 1      1716 2        s-trans-Propenoic acid
  364777.7221  0.0137 -4.1992 3  155.7912 37  72503 3031817 2      1716 1        s-trans-Propenoic acid
  364806.0838  0.0203 -5.2097 3  646.5357139  72503 30369 762      69 663        s-trans-Propenoic acid
  364806.0838  0.0203 -5.6638 3  646.5357139  72503 30369 762      69 763        s-trans-Propenoic acid
  364806.0838  0.0203 -5.6638 3  646.5357139  72503 30369 862      69 663        s-trans-Propenoic acid
  364806.0838  0.0203 -5.2097 3  646.5357139  72503 30369 862      69 763        s-trans-Propenoic acid
  364810.3924  0.0054 -3.9325 3  400.3419 95  72503 303471731      461730        s-trans-Propenoic acid
  364826.2692  0.0055 -3.9324 3  400.3424 95  72503 303471730      461729        s-trans-Propenoic acid
  364852.3130  0.0653 -4.8448 3  431.6002 83  72503 303412714      412615        s-trans-Propenoic acid
  364852.3130  0.0653 -4.8448 3  431.6002 83  72503 303412715      412616        s-trans-Propenoic acid
  364908.2009  0.0330 -5.3631 3  814.3907153  72503 303761165      761066        s-trans-Propenoic acid
  364908.2009  0.0330 -5.8548 3  814.3907153  72503 303761165      761166        s-trans-Propenoic acid
  364908.2015  0.0330 -5.3631 3  814.3907153  72503 303761265      761166        s-trans-Propenoic acid
  364908.2016  0.0330 -5.8548 3  814.3907153  72503 303761265      761066        s-trans-Propenoic acid
  364919.4029  0.0040 -4.4514 3  387.9495101  72503 30350 842      49 941        s-trans-Propenoic acid
  364923.4296  0.0040 -3.8452 3  387.9495101  72503 30350 942      49 941        s-trans-Propenoic acid
  364926.9016  0.0040 -3.8452 3  387.9493101  72503 30350 842      49 841        s-trans-Propenoic acid
  364930.9284  0.0040 -4.4514 3  387.9493101  72503 30350 942      49 841        s-trans-Propenoic acid
  364942.6814  0.0274 -4.3004 3  524.0257 97  72503 303482820      472819        s-trans-Propenoic acid
  364942.6814  0.0274 -4.3004 3  524.0257 97  72503 303482821      472820        s-trans-Propenoic acid
  364950.3844  0.1612 -5.9168 3 1184.9976181  72503 303901872      901773        s-trans-Propenoic acid
  364955.1360  0.1612 -5.9168 3 1184.9976181  72503 303901972      901873        s-trans-Propenoic acid
  365004.2925  0.0235 -5.8880 3  393.3521 95  72503 303471631      471434        s-trans-Propenoic acid
  365094.9223  0.0655 -4.8494 3  421.2166 81  72503 303402713      402614        s-trans-Propenoic acid
  365094.9223  0.0655 -4.8494 3  421.2166 81  72503 303402714      402615        s-trans-Propenoic acid
  365162.7481  0.0034 -4.5917 3  377.0094 97  72503 303481038      471137        s-trans-Propenoic acid
  365289.1514  0.0249 -4.2580 3  511.4417 97  72503 303482721      472720        s-trans-Propenoic acid
  365289.1514  0.0249 -4.2580 3  511.4417 97  72503 303482722      472721        s-trans-Propenoic acid
  365306.3182  0.0046 -5.8741 3  124.9005 47  72503 30323 618      22 419        s-trans-Propenoic acid
  365316.0609  0.0039 -5.9100 3  117.8650 41  72503 30320 911      19 712        s-trans-Propenoic acid
  365320.9945  0.0659 -4.8567 3  411.0905 79  72503 303392712      392613        s-trans-Propenoic acid
  365320.9945  0.0659 -4.8567 3  411.0905 79  72503 303392713      392614        s-trans-Propenoic acid
  365372.9639  0.3027 -5.6210 3 1044.3402159  72503 303792950      792851        s-trans-Propenoic acid
  365373.4408  0.3027 -5.6210 3 1044.3402159  72503 303792951      792852        s-trans-Propenoic acid
  365486.5633  0.2008 -5.7350 3  735.8181137  72503 303681949      672048        s-trans-Propenoic acid
  365488.9908  0.0050 -3.8562 3  369.0946 93  72503 303461432      451431        s-trans-Propenoic acid
  365497.3133  0.0036 -4.5093 3  382.8538 99  72503 30349 940      481039        s-trans-Propenoic acid
  365531.3664  0.0662 -4.8670 3  401.2218 77  72503 303382711      382612        s-trans-Propenoic acid
  365531.3664  0.0662 -4.8670 3  401.2218 77  72503 303382712      382613        s-trans-Propenoic acid
  365584.5488  0.0036 -3.8442 3  382.8538 99  72503 303491040      481039        s-trans-Propenoic acid
  365587.3476  0.0045 -5.5067 3  124.8912 47  72503 30323 618      22 319        s-trans-Propenoic acid
  365651.8183  0.0037 -3.8441 3  382.8487 99  72503 30349 940      48 939        s-trans-Propenoic acid
  365673.8510  0.0226 -4.2175 3  499.3334 97  72503 303482622      472621        s-trans-Propenoic acid
  365673.8510  0.0226 -4.2175 3  499.3334 97  72503 303482623      472622        s-trans-Propenoic acid
  365726.8446  0.0666 -4.8806 3  391.6102 75  72503 303372710      372611        s-trans-Propenoic acid
  365726.8446  0.0666 -4.8806 3  391.6102 75  72503 303372711      372612        s-trans-Propenoic acid
  365739.0539  0.0037 -4.5087 3  382.8487 99  72503 303491040      48 939        s-trans-Propenoic acid
  365749.5365  0.1345 -5.2031 3  787.8231133  72503 303662838      662739        s-trans-Propenoic acid
  365749.5369  0.1345 -5.2031 3  787.8231133  72503 303662839      662740        s-trans-Propenoic acid
  365855.6069  0.5186 -5.9861 3 1252.4481177  72503 303883058      882959        s-trans-Propenoic acid
  365864.6833  0.0414 -5.9264 3  863.5174157  72503 303781266      781267        s-trans-Propenoic acid
  365864.6834  0.0414 -5.4252 3  863.5174157  72503 303781266      781167        s-trans-Propenoic acid
  365864.6861  0.0414 -5.4252 3  863.5174157  72503 303781366      781267        s-trans-Propenoic acid
  365864.6863  0.0414 -5.9264 3  863.5174157  72503 303781366      781167        s-trans-Propenoic acid
  365871.0305  0.5184 -5.9861 3 1252.4475177  72503 303883059      882960        s-trans-Propenoic acid
  365908.2062  0.0670 -4.8981 3  382.2552 73  72503 3033627 9      362610        s-trans-Propenoic acid
  365908.2062  0.0670 -4.8981 3  382.2552 73  72503 303362710      362611        s-trans-Propenoic acid
  366012.8360  0.0104 -4.2311 3  157.9745 41  72503 3032016 4      1915 5        s-trans-Propenoic acid
  366012.8360  0.0104 -4.2311 3  157.9745 41  72503 3032016 5      1915 4        s-trans-Propenoic acid
  366017.8173  0.1317 -5.8220 3 1128.2751177  72503 303881771      881672        s-trans-Propenoic acid
  366019.3574  0.1317 -5.8220 3 1128.2751177  72503 303881871      881772        s-trans-Propenoic acid
  366076.2009  0.0674 -4.9204 3  373.1566 71  72503 3033527 8      3526 9        s-trans-Propenoic acid
  366076.2009  0.0674 -4.9204 3  373.1566 71  72503 3033527 9      352610        s-trans-Propenoic acid
  366103.8532  0.0203 -4.1789 3  487.7033 97  72503 303482523      472522        s-trans-Propenoic acid
  366103.8532  0.0203 -4.1789 3  487.7033 97  72503 303482524      472523        s-trans-Propenoic acid
  366231.5515  0.0678 -4.9483 3  364.3141 69  72503 3033427 7      3426 8        s-trans-Propenoic acid
  366231.5515  0.0678 -4.9483 3  364.3141 69  72503 3033427 8      3426 9        s-trans-Propenoic acid
  366374.9551  0.0682 -4.9834 3  355.7274 67  72503 3033327 6      3326 7        s-trans-Propenoic acid
  366374.9551  0.0682 -4.9834 3  355.7274 67  72503 3033327 7      3326 8        s-trans-Propenoic acid
  366427.4059  0.0029 -4.5009 3  192.3884 61  72503 303301120      291019        s-trans-Propenoic acid
  366431.5439  0.0187 -5.2041 3  576.0436133  72503 30366 561      66 462        s-trans-Propenoic acid
  366431.5439  0.0187 -5.6405 3  576.0436133  72503 30366 561      66 562        s-trans-Propenoic acid
  366431.5439  0.0187 -5.6405 3  576.0436133  72503 30366 661      66 462        s-trans-Propenoic acid
  366431.5439  0.0187 -5.2041 3  576.0436133  72503 30366 661      66 562        s-trans-Propenoic acid
  366507.0837  0.0686 -5.0277 3  347.3963 65  72503 3033227 5      3226 6        s-trans-Propenoic acid
  366507.0837  0.0686 -5.0277 3  347.3963 65  72503 3033227 6      3226 7        s-trans-Propenoic acid
  366514.9419  0.1678 -6.1051 3  614.1878123  72503 303611943      611744        s-trans-Propenoic acid
  366518.7449  0.0033 -3.8409 3  377.0094 97  72503 303481138      471137        s-trans-Propenoic acid
  366538.8164  0.0527 -6.0046 3  913.9288161  72503 303801367      801368        s-trans-Propenoic acid
  366538.8172  0.0527 -5.4935 3  913.9288161  72503 303801367      801268        s-trans-Propenoic acid
  366538.8277  0.0527 -5.4935 3  913.9288161  72503 303801467      801368        s-trans-Propenoic acid
  366538.8285  0.0527 -6.0046 3  913.9288161  72503 303801467      801268        s-trans-Propenoic acid
  366556.3019  0.0031 -3.8383 3  370.4348 95  72503 303471236      461235        s-trans-Propenoic acid
  366581.7077  0.0045 -3.9062 3  393.2893 95  72503 303471632      461631        s-trans-Propenoic acid
  366588.0227  0.0182 -4.1420 3  476.5547 97  72503 303482424      472423        s-trans-Propenoic acid
  366588.0227  0.0182 -4.1420 3  476.5547 97  72503 303482425      472424        s-trans-Propenoic acid
  366620.3425  0.0030 -4.6286 3  196.1742 63  72503 303311021      30 922        s-trans-Propenoic acid
  366628.5856  0.0691 -5.0845 3  339.3204 63  72503 3033127 4      3126 5        s-trans-Propenoic acid
  366628.5856  0.0691 -5.0845 3  339.3204 63  72503 3033127 5      3126 6        s-trans-Propenoic acid
  366640.6191  0.0222 -5.8082 3  333.4378 87  72503 303431429      431132        s-trans-Propenoic acid
  366678.8373  0.1064 -5.7321 3 1072.7988173  72503 303861670      861571        s-trans-Propenoic acid
  366679.3143  0.1064 -5.7321 3 1072.7988173  72503 303861770      861671        s-trans-Propenoic acid
  366692.2305  0.1271 -5.1765 3  770.8894131  72503 303652837      652738        s-trans-Propenoic acid
  366692.2307  0.1271 -5.1765 3  770.8894131  72503 303652838      652739        s-trans-Propenoic acid
  366724.7647  0.0046 -3.9059 3  393.2947 95  72503 303471631      461630        s-trans-Propenoic acid
  366740.0853  0.0695 -5.1592 3  331.4995 61  72503 3033027 3      3026 4        s-trans-Propenoic acid
  366740.0853  0.0695 -5.1592 3  331.4995 61  72503 3033027 4      3026 5        s-trans-Propenoic acid
  366785.8765  0.0226 -5.2401 3  691.0779143  72503 30371 863      71 764        s-trans-Propenoic acid
  366785.8765  0.0226 -5.7029 3  691.0779143  72503 30371 863      71 864        s-trans-Propenoic acid
  366785.8765  0.0226 -5.7029 3  691.0779143  72503 30371 963      71 764        s-trans-Propenoic acid
  366785.8765  0.0226 -5.2401 3  691.0779143  72503 30371 963      71 864        s-trans-Propenoic acid
  366842.1849  0.0699 -5.2621 3  323.9334 59  72503 3032927 2      2926 3        s-trans-Propenoic acid
  366842.1849  0.0699 -5.2621 3  323.9334 59  72503 3032927 3      2926 4        s-trans-Propenoic acid
  366913.2761  0.0672 -6.0889 3  965.6178165  72503 303821468      821469        s-trans-Propenoic acid
  366913.2792  0.0672 -5.5676 3  965.6178165  72503 303821468      821369        s-trans-Propenoic acid
  366913.3188  0.0672 -5.5676 3  965.6178165  72503 303821568      821469        s-trans-Propenoic acid
  366913.3219  0.0672 -6.0889 3  965.6178165  72503 303821568      821369        s-trans-Propenoic acid
  366935.4642  0.0703 -5.4164 3  316.6218 57  72503 3032827 1      2826 2        s-trans-Propenoic acid
  366935.4642  0.0703 -5.4164 3  316.6218 57  72503 3032827 2      2826 3        s-trans-Propenoic acid
  366967.8760  0.0850 -5.6472 3 1018.5770169  72503 303841569      841470        s-trans-Propenoic acid
  366968.0168  0.0850 -5.6472 3 1018.5770169  72503 303841669      841570        s-trans-Propenoic acid
  366982.8689  0.0038 -5.9076 3  117.8087 41  72503 30320 912      19 713        s-trans-Propenoic acid
  366990.2410  0.2855 -5.5837 3 1023.9053157  72503 303782949      782850        s-trans-Propenoic acid
  366990.4829  0.2855 -5.5837 3 1023.9053157  72503 303782950      782851        s-trans-Propenoic acid
  367020.4812  0.0708 -5.6957 3  309.5645 55  72503 3032727 0      2726 1        s-trans-Propenoic acid
  367020.4812  0.0708 -5.6957 3  309.5645 55  72503 3032727 1      2726 2        s-trans-Propenoic acid
  367098.5417  0.0069 -5.1825 3  156.0996 55  72503 30327 720      26 621        s-trans-Propenoic acid
  367137.6460  0.0161 -4.1069 3  465.8913 97  72503 303482325      472324        s-trans-Propenoic acid
  367137.6460  0.0161 -4.1069 3  465.8913 97  72503 303482326      472325        s-trans-Propenoic acid
  367183.0848  0.0218 -5.8967 3  369.0946 91  72503 303451630      451431        s-trans-Propenoic acid
  367185.3974  0.0222 -5.6229 3  444.2460121  72503 30360 159      60 060        s-trans-Propenoic acid
  367185.3974  0.0222 -6.0267 3  444.2460121  72503 30360 159      60 160        s-trans-Propenoic acid
  367185.3974  0.0222 -6.0267 3  444.2460121  72503 30360 259      60 060        s-trans-Propenoic acid
  367185.3974  0.0222 -5.6229 3  444.2460121  72503 30360 259      60 160        s-trans-Propenoic acid
  367195.1656  0.0182 -5.2821 3  508.5969127  72503 30363 360      63 261        s-trans-Propenoic acid
  367195.1656  0.0182 -5.7017 3  508.5969127  72503 30363 360      63 361        s-trans-Propenoic acid
  367195.1656  0.0182 -5.7017 3  508.5969127  72503 30363 460      63 261        s-trans-Propenoic acid
  367195.1656  0.0182 -5.2821 3  508.5969127  72503 30363 460      63 361        s-trans-Propenoic acid
  367195.2167  0.0076 -4.2655 3  161.6677 45  72503 3032215 7      2114 8        s-trans-Propenoic acid
  367195.2167  0.0076 -4.2655 3  161.6677 45  72503 3032215 8      2114 7        s-trans-Propenoic acid
  367200.9494  0.0103 -5.9651 3  267.0368 73  72503 303361522      361323        s-trans-Propenoic acid
  367397.5883  0.0102 -5.9647 3  267.0303 73  72503 303361521      361324        s-trans-Propenoic acid
  367407.8652  0.0034 -3.8386 3  376.9345 97  72503 303481038      471037        s-trans-Propenoic acid
  367528.3092  0.0501 -5.9386 3  451.7235103  72503 303511735      511536        s-trans-Propenoic acid
  367586.8920  0.1203 -5.1509 3  754.2243129  72503 303642836      642737        s-trans-Propenoic acid
  367586.8920  0.1203 -5.1509 3  754.2243129  72503 303642837      642738        s-trans-Propenoic acid
  367767.3658  0.0141 -4.0733 3  455.7181 97  72503 303482226      472225        s-trans-Propenoic acid
  367767.3658  0.0141 -4.0733 3  455.7181 97  72503 303482227      472226        s-trans-Propenoic acid
  367967.0750  0.0281 -5.6626 3  425.8208101  72503 303501535      501238        s-trans-Propenoic acid
  368104.6625  0.4904 -5.9414 3 1229.5553175  72503 303873057      872958        s-trans-Propenoic acid
  368113.1028  0.4903 -5.9414 3 1229.5550175  72503 303873058      872959        s-trans-Propenoic acid
  368225.5757  0.0032 -3.8142 3  357.4861 93  72503 303461135      451134        s-trans-Propenoic acid
  368244.6305  0.0054 -4.3043 3  166.8949 49  72503 303241411      231310        s-trans-Propenoic acid
  368244.6320  0.0054 -4.3043 3  166.8949 49  72503 303241410      231311        s-trans-Propenoic acid
  368364.5405  0.0028 -4.4973 3  192.3349 61  72503 303301119      291020        s-trans-Propenoic acid
  368435.8380  0.1141 -5.1262 3  737.8270127  72503 303632835      632736        s-trans-Propenoic acid
  368435.8380  0.1141 -5.1262 3  737.8270127  72503 303632836      632737        s-trans-Propenoic acid
  368481.6339  0.0075 -6.1051 3  208.6799 65  72503 303321122      32 825        s-trans-Propenoic acid
  368496.6241  0.0122 -4.0413 3  446.0413 97  72503 303482128      472127        s-trans-Propenoic acid
  368496.6251  0.0122 -4.0413 3  446.0413 97  72503 303482127      472126        s-trans-Propenoic acid
  368525.5135  0.2692 -5.5472 3 1003.7472155  72503 303772948      772849        s-trans-Propenoic acid
  368525.6345  0.2692 -5.5472 3 1003.7472155  72503 303772949      772850        s-trans-Propenoic acid
  368538.0485  0.0255 -5.2806 3  736.9322147  72503 30373 964      73 865        s-trans-Propenoic acid
  368538.0485  0.0255 -5.7521 3  736.9322147  72503 30373 964      73 965        s-trans-Propenoic acid
  368538.0485  0.0255 -5.7521 3  736.9322147  72503 303731064      73 865        s-trans-Propenoic acid
  368538.0485  0.0255 -5.2806 3  736.9322147  72503 303731064      73 965        s-trans-Propenoic acid
  368675.2352  0.0041 -3.8810 3  386.8387 95  72503 303471533      461532        s-trans-Propenoic acid
  368712.1370  0.0216 -5.8860 3  380.9957 93  72503 303461630      461433        s-trans-Propenoic acid
  368763.8620  0.0039 -4.5826 3  376.9345 97  72503 303481138      471037        s-trans-Propenoic acid
  368857.9637  0.0208 -5.2085 3  618.5643137  72503 30368 662      68 563        s-trans-Propenoic acid
  368857.9637  0.0208 -5.6530 3  618.5643137  72503 30368 662      68 663        s-trans-Propenoic acid
  368857.9637  0.0208 -5.6530 3  618.5643137  72503 30368 762      68 563        s-trans-Propenoic acid
  368857.9637  0.0208 -5.2085 3  618.5643137  72503 30368 762      68 663        s-trans-Propenoic acid
  368992.8509  0.0038 -4.3509 3  173.6956 53  72503 303261314      251213        s-trans-Propenoic acid
  368993.2286  0.0038 -4.3509 3  173.6956 53  72503 303261313      251214        s-trans-Propenoic acid
  369034.0603  0.0048 -3.8011 3  348.6006 91  72503 303451233      441232        s-trans-Propenoic acid
  369040.6181  0.0029 -4.4110 3  182.1393 57  72503 303281217      271116        s-trans-Propenoic acid
  369067.2709  0.0082 -4.7106 3  274.5808 79  72503 303391129      381028        s-trans-Propenoic acid
  369081.5279  0.0029 -4.4109 3  182.1381 57  72503 303281216      271117        s-trans-Propenoic acid
  369110.7434  0.0974 -5.9062 3  863.9503 99  72503 3034947 2      4847 1        s-trans-Propenoic acid
  369110.7434  0.0974 -5.9062 3  863.9503 99  72503 3034947 3      4847 2        s-trans-Propenoic acid
  369228.1028  0.0930 -5.6898 3  842.5303 99  72503 3034946 3      4846 2        s-trans-Propenoic acid
  369228.1028  0.0930 -5.6898 3  842.5303 99  72503 3034946 4      4846 3        s-trans-Propenoic acid
  369241.2430  0.1084 -5.1023 3  721.6969125  72503 303622834      622735        s-trans-Propenoic acid
  369241.2430  0.1084 -5.1023 3  721.6969125  72503 303622835      622736        s-trans-Propenoic acid
  369349.0200  0.0886 -5.5255 3  821.5713 99  72503 3034945 4      4845 3        s-trans-Propenoic acid
  369349.0200  0.0886 -5.5255 3  821.5713 99  72503 3034945 5      4845 4        s-trans-Propenoic acid
  369351.9906  0.0104 -4.0108 3  436.8690 97  72503 303482029      472028        s-trans-Propenoic acid
  369352.0078  0.0104 -4.0108 3  436.8690 97  72503 303482028      472027        s-trans-Propenoic acid
  369473.9234  0.0844 -5.3903 3  801.0734 99  72503 3034944 5      4844 4        s-trans-Propenoic acid
  369473.9234  0.0844 -5.3903 3  801.0734 99  72503 3034944 6      4844 5        s-trans-Propenoic acid
  369507.1164  0.0166 -5.9322 3  297.9116 83  72503 303411130      41 833        s-trans-Propenoic acid
  369603.2924  0.0803 -5.2737 3  781.0371 99  72503 3034943 6      4843 5        s-trans-Propenoic acid
  369603.2924  0.0803 -5.2737 3  781.0371 99  72503 3034943 7      4843 6        s-trans-Propenoic acid
  369650.6367  0.0317 -5.6851 3  412.4792 99  72503 303491534      491237        s-trans-Propenoic acid
  369693.8594  0.0045 -3.8787 3  386.8837 95  72503 303471532      461531        s-trans-Propenoic acid
  369701.8469  0.0103 -5.9865 3  257.7067 71  72503 303351521      351322        s-trans-Propenoic acid
  369737.6653  0.0763 -5.1705 3  761.4626 99  72503 3034942 7      4842 6        s-trans-Propenoic acid
  369737.6653  0.0763 -5.1705 3  761.4626 99  72503 3034942 8      4842 7        s-trans-Propenoic acid
  369799.8412  0.0103 -5.9863 3  257.7034 71  72503 303351520      351323        s-trans-Propenoic acid
  369875.0383  0.0950 -6.0080 3  529.3501113  72503 303561839      561640        s-trans-Propenoic acid
  369877.6481  0.0723 -5.0771 3  742.3503 99  72503 3034941 8      4841 7        s-trans-Propenoic acid
  369877.6481  0.0723 -5.0771 3  742.3503 99  72503 3034941 9      4841 8        s-trans-Propenoic acid
  369983.6424  0.2538 -5.5116 3  983.8649153  72503 303762947      762848        s-trans-Propenoic acid
  369983.7021  0.2538 -5.5116 3  983.8649153  72503 303762948      762849        s-trans-Propenoic acid
  369998.7504  0.0232 -5.7020 3  407.5734 99  72503 303491435      491138        s-trans-Propenoic acid
  370005.1520  0.1033 -5.0795 3  705.8333123  72503 303612833      612734        s-trans-Propenoic acid
  370005.1520  0.1033 -5.0795 3  705.8333123  72503 303612834      612735        s-trans-Propenoic acid
  370023.9256  0.0685 -4.9917 3  723.7006 99  72503 3034940 9      4840 8        s-trans-Propenoic acid
  370023.9256  0.0685 -4.9917 3  723.7006 99  72503 303494010      4840 9        s-trans-Propenoic acid
  370025.8476  0.0194 -5.2358 3  549.0703131  72503 30365 461      65 362        s-trans-Propenoic acid
  370025.8476  0.0194 -5.6633 3  549.0703131  72503 30365 461      65 462        s-trans-Propenoic acid
  370025.8476  0.0194 -5.6633 3  549.0703131  72503 30365 561      65 362        s-trans-Propenoic acid
  370025.8476  0.0194 -5.2358 3  549.0703131  72503 30365 561      65 462        s-trans-Propenoic acid
  370053.1289  0.0297 -5.3296 3  784.0922151  72503 303751065      75 966        s-trans-Propenoic acid
  370053.1289  0.0297 -5.8101 3  784.0922151  72503 303751065      751066        s-trans-Propenoic acid
  370053.1289  0.0297 -5.8101 3  784.0922151  72503 303751165      75 966        s-trans-Propenoic acid
  370053.1289  0.0297 -5.3296 3  784.0922151  72503 303751165      751066        s-trans-Propenoic acid
  370169.6535  0.0035 -3.8434 3  375.6383 95  72503 303471335      461334        s-trans-Propenoic acid
  370177.2735  0.0648 -4.9126 3  705.5140 99  72503 303493910      4839 9        s-trans-Propenoic acid
  370177.2735  0.0648 -4.9126 3  705.5140 99  72503 303493911      483910        s-trans-Propenoic acid
  370189.8111  0.0040 -5.8464 3  123.0938 43  72503 30321 912      20 713        s-trans-Propenoic acid
  370232.0980  0.4638 -5.8977 3 1206.9465173  72503 303863056      862957        s-trans-Propenoic acid
  370236.6606  0.4638 -5.8977 3 1206.9463173  72503 303863057      862958        s-trans-Propenoic acid
  370263.2394  0.2403 -5.8396 3  798.2227143  72503 303712051      702150        s-trans-Propenoic acid
  370289.7946  0.0085 -3.8115 3  418.8177117  72503 30358 157      57 156        s-trans-Propenoic acid
  370289.7946  0.0085 -4.2136 3  418.8177117  72503 30358 157      57 256        s-trans-Propenoic acid
  370289.7946  0.0085 -4.2136 3  418.8177117  72503 30358 257      57 156        s-trans-Propenoic acid
  370289.7946  0.0085 -3.8115 3  418.8177117  72503 30358 257      57 256        s-trans-Propenoic acid
  370290.2557  0.0073 -3.8199 3  417.7850115  72503 30357 255      56 254        s-trans-Propenoic acid
  370290.2557  0.0073 -4.2401 3  417.7850115  72503 30357 255      56 354        s-trans-Propenoic acid
  370290.2557  0.0073 -4.2401 3  417.7850115  72503 30357 355      56 254        s-trans-Propenoic acid
  370290.2557  0.0073 -3.8199 3  417.7850115  72503 30357 355      56 354        s-trans-Propenoic acid
  370293.2535  0.0105 -3.8021 3  419.3354119  72503 30359 059      58 058        s-trans-Propenoic acid
  370293.2535  0.0105 -4.1878 3  419.3354119  72503 30359 059      58 158        s-trans-Propenoic acid
  370293.2535  0.0105 -4.1878 3  419.3354119  72503 30359 159      58 058        s-trans-Propenoic acid
  370293.2535  0.0105 -3.8021 3  419.3354119  72503 30359 159      58 158        s-trans-Propenoic acid
  370300.8800  0.0066 -3.8274 3  416.2295113  72503 30356 353      55 352        s-trans-Propenoic acid
  370300.8800  0.0066 -4.2679 3  416.2295113  72503 30356 353      55 452        s-trans-Propenoic acid
  370300.8800  0.0066 -4.2679 3  416.2295113  72503 30356 453      55 352        s-trans-Propenoic acid
  370300.8800  0.0066 -3.8274 3  416.2295113  72503 30356 453      55 452        s-trans-Propenoic acid
  370330.8478  0.0062 -3.8338 3  414.1411111  72503 30355 451      54 450        s-trans-Propenoic acid
  370330.8478  0.0062 -4.2972 3  414.1411111  72503 30355 451      54 550        s-trans-Propenoic acid
  370330.8478  0.0062 -4.2972 3  414.1411111  72503 30355 551      54 450        s-trans-Propenoic acid
  370330.8478  0.0062 -3.8338 3  414.1411111  72503 30355 551      54 550        s-trans-Propenoic acid
  370338.5742  0.0611 -4.8389 3  687.7909 99  72503 303493811      483810        s-trans-Propenoic acid
  370338.5742  0.0611 -4.8389 3  687.7909 99  72503 303493812      483811        s-trans-Propenoic acid
  370371.0968  0.0087 -3.9816 3  428.2121 97  72503 303481930      471929        s-trans-Propenoic acid
  370371.3420  0.0087 -3.9816 3  428.2121 97  72503 303481929      471928        s-trans-Propenoic acid
  370386.7933  0.0208 -5.3957 3  482.6475125  72503 30362 260      62 161        s-trans-Propenoic acid
  370386.7933  0.0208 -5.8071 3  482.6475125  72503 30362 260      62 261        s-trans-Propenoic acid
  370386.7933  0.0208 -5.8071 3  482.6475125  72503 30362 360      62 161        s-trans-Propenoic acid
  370386.7933  0.0208 -5.3957 3  482.6475125  72503 30362 360      62 261        s-trans-Propenoic acid
  370393.9964  0.0058 -4.3287 3  411.5068109  72503 30354 549      53 648        s-trans-Propenoic acid
  370393.9965  0.0058 -3.8392 3  411.5068109  72503 30354 549      53 548        s-trans-Propenoic acid
  370393.9965  0.0058 -4.3287 3  411.5068109  72503 30354 649      53 548        s-trans-Propenoic acid
  370393.9965  0.0058 -3.8392 3  411.5068109  72503 30354 649      53 648        s-trans-Propenoic acid
  370423.9433  0.0748 -5.2584 3  528.3471115  72503 303571542      561641        s-trans-Propenoic acid
  370432.6093  0.0039 -3.8587 3  380.9957 95  72503 303471434      461433        s-trans-Propenoic acid
  370450.9339  0.0063 -5.5279 3  155.9877 55  72503 30327 720      26 521        s-trans-Propenoic acid
  370508.8346  0.0575 -4.7697 3  670.5317 99  72503 303493712      483711        s-trans-Propenoic acid
  370508.8346  0.0575 -4.7697 3  670.5317 99  72503 303493713      483712        s-trans-Propenoic acid
  370511.8948  0.0053 -4.3631 3  408.3096107  72503 30353 647      52 746        s-trans-Propenoic acid
  370511.8965  0.0053 -3.8433 3  408.3096107  72503 30353 747      52 746        s-trans-Propenoic acid
  370511.8984  0.0053 -3.8433 3  408.3096107  72503 30353 647      52 646        s-trans-Propenoic acid
  370511.9001  0.0053 -4.3631 3  408.3096107  72503 30353 747      52 646        s-trans-Propenoic acid
  370578.3257  0.2028 -6.0485 3 1266.1516187  72503 303931974      931875        s-trans-Propenoic acid
  370586.4325  0.2029 -6.0485 3 1266.1517187  72503 303932074      931975        s-trans-Propenoic acid
  370689.2091  0.0541 -4.7047 3  653.7371 99  72503 303493613      483612        s-trans-Propenoic acid
  370689.2091  0.0541 -4.7047 3  653.7371 99  72503 303493614      483613        s-trans-Propenoic acid
  370719.6845  0.0049 -4.4016 3  404.5258105  72503 30352 745      51 844        s-trans-Propenoic acid
  370719.7555  0.0049 -3.8461 3  404.5258105  72503 30352 845      51 844        s-trans-Propenoic acid
  370719.8229  0.0049 -3.8461 3  404.5258105  72503 30352 745      51 744        s-trans-Propenoic acid
  370719.8939  0.0049 -4.4016 3  404.5258105  72503 30352 845      51 744        s-trans-Propenoic acid
  370729.4925  0.0987 -5.0575 3  690.2358121  72503 303602832      602733        s-trans-Propenoic acid
  370729.4925  0.0987 -5.0575 3  690.2358121  72503 303602833      602734        s-trans-Propenoic acid
  370881.0259  0.0507 -4.6432 3  637.4077 99  72503 303493514      483513        s-trans-Propenoic acid
  370881.0259  0.0507 -4.6432 3  637.4077 99  72503 303493515      483514        s-trans-Propenoic acid
  371076.1989  0.0045 -4.4463 3  400.1221103  72503 30351 843      50 942        s-trans-Propenoic acid
  371076.8360  0.0229 -5.2281 3  662.4100141  72503 30370 763      70 664        s-trans-Propenoic acid
  371076.8360  0.0229 -5.6811 3  662.4100141  72503 30370 763      70 764        s-trans-Propenoic acid
  371076.8360  0.0229 -5.6811 3  662.4100141  72503 30370 863      70 664        s-trans-Propenoic acid
  371076.8360  0.0229 -5.2281 3  662.4100141  72503 30370 863      70 764        s-trans-Propenoic acid
  371078.3465  0.0045 -3.8472 3  400.1221103  72503 30351 943      50 942        s-trans-Propenoic acid
  371080.2257  0.0045 -3.8472 3  400.1219103  72503 30351 843      50 842        s-trans-Propenoic acid
  371082.3733  0.0045 -4.4463 3  400.1219103  72503 30351 943      50 842        s-trans-Propenoic acid
  371085.8212  0.0474 -4.5849 3  621.5441 99  72503 303493415      483414        s-trans-Propenoic acid
  371085.8212  0.0474 -4.5849 3  621.5441 99  72503 303493416      483415        s-trans-Propenoic acid
  371305.3798  0.0442 -4.5295 3  606.1472 99  72503 303493316      483315        s-trans-Propenoic acid
  371305.3798  0.0442 -4.5295 3  606.1472 99  72503 303493317      483316        s-trans-Propenoic acid
  371320.3768  0.0358 -5.3861 3  832.5514155  72503 303771166      771067        s-trans-Propenoic acid
  371320.3768  0.0358 -5.8758 3  832.5514155  72503 303771166      771167        s-trans-Propenoic acid
  371320.3771  0.0358 -5.3861 3  832.5514155  72503 303771266      771167        s-trans-Propenoic acid
  371320.3772  0.0358 -5.8758 3  832.5514155  72503 303771266      771067        s-trans-Propenoic acid
  371369.0536  0.2393 -5.4769 3  964.2574151  72503 303752946      752847        s-trans-Propenoic acid
  371369.0827  0.2393 -5.4769 3  964.2574151  72503 303752947      752848        s-trans-Propenoic acid
  371416.0841  0.0946 -5.0365 3  674.9038119  72503 303592831      592732        s-trans-Propenoic acid
  371416.0841  0.0946 -5.0365 3  674.9038119  72503 303592832      592733        s-trans-Propenoic acid
  371503.4196  0.0313 -4.9792 3  445.4540105  72503 303521339      511438        s-trans-Propenoic acid
  371541.7875  0.0411 -4.4769 3  591.2178 99  72503 303493217      483216        s-trans-Propenoic acid
  371541.7875  0.0411 -4.4769 3  591.2178 99  72503 303493218      483217        s-trans-Propenoic acid
  371609.1844  0.0072 -3.9536 3  420.0855 97  72503 303481831      471830        s-trans-Propenoic acid
  371612.1684  0.0072 -3.9536 3  420.0856 97  72503 303481830      471829        s-trans-Propenoic acid
  371642.3218  0.0040 -4.5007 3  395.0484101  72503 30350 941      491040        s-trans-Propenoic acid
  371659.6420  0.0330 -6.0097 3  487.1254109  72503 303541638      541441        s-trans-Propenoic acid
  371691.1133  0.0040 -3.8463 3  395.0484101  72503 303501041      491040        s-trans-Propenoic acid
  371729.5574  0.0040 -3.8462 3  395.0455101  72503 30350 941      49 940        s-trans-Propenoic acid
  371767.8119  0.0065 -5.0105 3  173.6289 59  72503 30329 821      28 722        s-trans-Propenoic acid
  371778.3488  0.0041 -4.5004 3  395.0455101  72503 303501041      49 940        s-trans-Propenoic acid
  371797.4957  0.0381 -4.4268 3  576.7570 99  72503 303493118      483117        s-trans-Propenoic acid
  371797.4957  0.0381 -4.4268 3  576.7570 99  72503 303493119      483118        s-trans-Propenoic acid
  371815.2716  0.0036 -4.5749 3  389.2352 99  72503 303491039      481138        s-trans-Propenoic acid
  371926.6605  0.0104 -6.0109 3  248.6544 69  72503 303341520      341321        s-trans-Propenoic acid
  371945.7418  0.1677 -5.9479 3 1207.5571183  72503 303911873      911774        s-trans-Propenoic acid
  371948.4449  0.1678 -5.9479 3 1207.5571183  72503 303911973      911874        s-trans-Propenoic acid
  371963.7963  0.0259 -5.6645 3  439.3161103  72503 303511536      511239        s-trans-Propenoic acid
  371974.0623  0.0104 -6.0108 3  248.6528 69  72503 303341519      341322        s-trans-Propenoic acid
  372009.0737  0.0042 -5.7235 3  133.9240 49  72503 30324 718      23 519        s-trans-Propenoic acid
  372010.0818  0.0031 -4.5131 3  200.2435 63  72503 303311121      301020        s-trans-Propenoic acid
  372014.0479  0.0161 -4.8281 3  413.4118101  72503 303501238      491337        s-trans-Propenoic acid
  372066.6485  0.0909 -5.0165 3  659.8366117  72503 303582830      582731        s-trans-Propenoic acid
  372066.6485  0.0909 -5.0165 3  659.8366117  72503 303582831      582732        s-trans-Propenoic acid
  372075.4049  0.0352 -4.3790 3  562.7660 99  72503 303493019      483018        s-trans-Propenoic acid
  372075.4049  0.0352 -4.3790 3  562.7660 99  72503 303493020      483019        s-trans-Propenoic acid
  372247.2086  0.4386 -5.8549 3 1184.6201171  72503 303853055      852956        s-trans-Propenoic acid
  372249.6450  0.4386 -5.8549 3 1184.6200171  72503 303853056      852957        s-trans-Propenoic acid
  372324.6986  0.0134 -4.1925 3  160.3335 39  72503 3031917 2      1816 3        s-trans-Propenoic acid
  372324.6986  0.0134 -4.1925 3  160.3335 39  72503 3031917 3      1816 2        s-trans-Propenoic acid
  372327.5574  0.0444 -5.9485 3  882.3030159  72503 303791267      791268        s-trans-Propenoic acid
  372327.5575  0.0444 -5.4494 3  882.3030159  72503 303791267      791168        s-trans-Propenoic acid
  372327.5588  0.0444 -5.4494 3  882.3030159  72503 303791367      791268        s-trans-Propenoic acid
  372327.5589  0.0444 -5.9485 3  882.3030159  72503 303791367      791168        s-trans-Propenoic acid
  372378.9717  0.0324 -4.3334 3  549.2461 99  72503 303492920      482919        s-trans-Propenoic acid
  372378.9717  0.0324 -4.3334 3  549.2461 99  72503 303492921      482920        s-trans-Propenoic acid
  372564.5614  0.0197 -5.8862 3  368.9179 91  72503 303451629      451432        s-trans-Propenoic acid
  372622.2558  0.0037 -3.8429 3  389.2352 99  72503 303491139      481138        s-trans-Propenoic acid
  372664.4976  0.0213 -5.2206 3  590.8812135  72503 30367 562      67 463        s-trans-Propenoic acid
  372664.4976  0.0213 -5.6561 3  590.8812135  72503 30367 562      67 563        s-trans-Propenoic acid
  372664.4976  0.0213 -5.6561 3  590.8812135  72503 30367 662      67 463        s-trans-Propenoic acid
  372664.4976  0.0213 -5.2206 3  590.8812135  72503 30367 662      67 563        s-trans-Propenoic acid
  372682.8170  0.0877 -4.9974 3  645.0338115  72503 303572829      572730        s-trans-Propenoic acid
  372682.8170  0.0877 -4.9974 3  645.0338115  72503 303572830      572731        s-trans-Propenoic acid
  372685.7960  0.2256 -5.4431 3  944.9238149  72503 303742945      742846        s-trans-Propenoic acid
  372685.8099  0.2256 -5.4431 3  944.9238149  72503 303742946      742847        s-trans-Propenoic acid
  372712.3490  0.0297 -4.2898 3  536.1989 99  72503 303492821      482820        s-trans-Propenoic acid
  372712.3490  0.0297 -4.2898 3  536.1989 99  72503 303492822      482821        s-trans-Propenoic acid
  372887.1296  0.1374 -5.8520 3 1150.2018179  72503 303891772      891673        s-trans-Propenoic acid
  372887.9925  0.1374 -5.8520 3 1150.2018179  72503 303891872      891773        s-trans-Propenoic acid
  372963.6675  0.0035 -3.8202 3  369.7688 95  72503 303471136      461135        s-trans-Propenoic acid
  373060.6624  0.0560 -6.0277 3  933.3402163  72503 303811368      811369        s-trans-Propenoic acid
  373060.6628  0.0560 -5.5189 3  933.3402163  72503 303811368      811269        s-trans-Propenoic acid
  373060.6684  0.0560 -5.5189 3  933.3402163  72503 303811468      811369        s-trans-Propenoic acid
  373060.6688  0.0560 -6.0277 3  933.3402163  72503 303811468      811269        s-trans-Propenoic acid
  373080.5719  0.0270 -4.2483 3  523.6264 99  72503 303492722      482721        s-trans-Propenoic acid
  373080.5719  0.0270 -4.2483 3  523.6264 99  72503 303492723      482722        s-trans-Propenoic acid
  373080.9956  0.0078 -6.0758 3  217.1233 67  72503 303331123      33 826        s-trans-Propenoic acid
  373081.0769  0.0253 -5.2599 3  707.5745145  72503 30372 864      72 765        s-trans-Propenoic acid
  373081.0769  0.0253 -5.7214 3  707.5745145  72503 30372 864      72 865        s-trans-Propenoic acid
  373081.0769  0.0253 -5.7214 3  707.5745145  72503 30372 964      72 765        s-trans-Propenoic acid
  373081.0769  0.0253 -5.2599 3  707.5745145  72503 30372 964      72 865        s-trans-Propenoic acid
  373090.3463  0.0034 -3.8390 3  382.6618 97  72503 303481237      471236        s-trans-Propenoic acid
  373145.9026  0.0059 -3.9266 3  412.5107 97  72503 303481732      471731        s-trans-Propenoic acid
  373171.2684  0.0037 -3.8415 3  389.1900 99  72503 303491039      481038        s-trans-Propenoic acid
  373176.4953  0.0059 -3.9266 3  412.5117 97  72503 303481731      471730        s-trans-Propenoic acid
  373185.8440  0.0309 -6.0632 3  453.2580105  72503 303521537      521340        s-trans-Propenoic acid
  373226.7904  0.0192 -5.8949 3  357.2257 89  72503 303441629      441430        s-trans-Propenoic acid
  373241.0215  0.0139 -6.0095 3  264.1978 75  72503 303371324      371027        s-trans-Propenoic acid
  373266.1384  0.0849 -4.9794 3  630.4949113  72503 303562828      562729        s-trans-Propenoic acid
  373266.1384  0.0849 -4.9794 3  630.4949113  72503 303562829      562730        s-trans-Propenoic acid
  373358.3648  0.0038 -5.8424 3  122.9864 43  72503 30321 913      20 714        s-trans-Propenoic acid
  373393.4699  0.0248 -5.6352 3  457.0121123  72503 30361 160      61 061        s-trans-Propenoic acid
  373393.4699  0.0248 -6.0387 3  457.0121123  72503 30361 160      61 161        s-trans-Propenoic acid
  373393.4699  0.0248 -6.0387 3  457.0121123  72503 30361 260      61 061        s-trans-Propenoic acid
  373393.4699  0.0248 -5.6352 3  457.0121123  72503 30361 260      61 161        s-trans-Propenoic acid
  373408.4446  0.0209 -5.2964 3  522.3987129  72503 30364 361      64 262        s-trans-Propenoic acid
  373408.4446  0.0209 -5.7156 3  522.3987129  72503 30364 361      64 362        s-trans-Propenoic acid
  373408.4446  0.0209 -5.7156 3  522.3987129  72503 30364 461      64 262        s-trans-Propenoic acid
  373408.4446  0.0209 -5.2964 3  522.3987129  72503 30364 461      64 362        s-trans-Propenoic acid
  373440.6900  0.1113 -5.7610 3 1094.0945175  72503 303871671      871572        s-trans-Propenoic acid
  373440.9533  0.1113 -5.7610 3 1094.0945175  72503 303871771      871672        s-trans-Propenoic acid
  373489.8090  0.0245 -4.2086 3  511.5310 99  72503 303492623      482622        s-trans-Propenoic acid
  373489.8090  0.0245 -4.2086 3  511.5310 99  72503 303492624      482623        s-trans-Propenoic acid
  373503.5592  0.0709 -5.5943 3  985.6561167  72503 303831469      831370        s-trans-Propenoic acid
  373503.5804  0.0709 -5.5943 3  985.6561167  72503 303831569      831470        s-trans-Propenoic acid
  373549.1051  0.0102 -4.2246 3  163.0316 43  72503 3032116 5      2015 6        s-trans-Propenoic acid
  373549.1051  0.0102 -4.2246 3  163.0316 43  72503 3032116 6      2015 5        s-trans-Propenoic acid
  373637.5330  0.0892 -5.6750 3 1039.2433171  72503 303851570      851471        s-trans-Propenoic acid
  373637.6096  0.0892 -5.6750 3 1039.2433171  72503 303851670      851571        s-trans-Propenoic acid
  373727.6681  0.0065 -3.8192 3  364.4117 93  72503 303461333      451332        s-trans-Propenoic acid
  373740.0869  0.0059 -4.6791 3  395.1068 99  72503 303491138      481237        s-trans-Propenoic acid
  373818.0847  0.0825 -4.9624 3  616.2194111  72503 303552827      552728        s-trans-Propenoic acid
  373818.0847  0.0825 -4.9624 3  616.2194111  72503 303552828      552729        s-trans-Propenoic acid
  373848.7807  0.0041 -5.3956 3  133.8626 49  72503 30324 718      23 419        s-trans-Propenoic acid
  373914.0579  0.0106 -6.0383 3  239.8776 67  72503 303331519      331320        s-trans-Propenoic acid
  373936.2913  0.0106 -6.0383 3  239.8768 67  72503 303331518      331321        s-trans-Propenoic acid
  373937.5888  0.2127 -5.4101 3  925.8634147  72503 303732944      732845        s-trans-Propenoic acid
  373937.5955  0.2127 -5.4101 3  925.8634147  72503 303732945      732846        s-trans-Propenoic acid
  373947.7078  0.0220 -4.1707 3  499.9153 99  72503 303492524      482523        s-trans-Propenoic acid
  373947.7078  0.0220 -4.1707 3  499.9153 99  72503 303492525      482524        s-trans-Propenoic acid
  373978.2525  0.0040 -4.5696 3  389.1900 99  72503 303491139      481038        s-trans-Propenoic acid
  374032.4024  0.0077 -4.6970 3  264.1978 77  72503 303381128      371027        s-trans-Propenoic acid
  374114.2062  0.0042 -5.7873 3  128.6246 45  72503 30322 913      21 714        s-trans-Propenoic acid
  374158.0411  0.4147 -5.8131 3 1162.5750169  72503 303843054      842955        s-trans-Propenoic acid
  374159.3262  0.4147 -5.8131 3 1162.5750169  72503 303843055      842956        s-trans-Propenoic acid
  374340.0577  0.0805 -4.9465 3  602.2068109  72503 303542826      542727        s-trans-Propenoic acid
  374340.0577  0.0805 -4.9465 3  602.2068109  72503 303542827      542728        s-trans-Propenoic acid
  374463.8831  0.0197 -4.1345 3  488.7828 99  72503 303492425      482424        s-trans-Propenoic acid
  374463.8831  0.0197 -4.1345 3  488.7828 99  72503 303492426      482425        s-trans-Propenoic acid
  374475.4020  0.0038 -5.6613 3  137.0858 49  72503 30324 817      23 618        s-trans-Propenoic acid
  374704.1196  0.0075 -4.2596 3  167.2456 47  72503 3032315 8      2214 9        s-trans-Propenoic acid
  374704.1196  0.0075 -4.2596 3  167.2456 47  72503 3032315 9      2214 8        s-trans-Propenoic acid
  374833.3940  0.0788 -4.9317 3  588.4565107  72503 303532825      532726        s-trans-Propenoic acid
  374833.3940  0.0788 -4.9317 3  588.4565107  72503 303532826      532727        s-trans-Propenoic acid
  374862.7308  0.0284 -5.3017 3  754.0516149  72503 30374 965      74 866        s-trans-Propenoic acid
  374862.7308  0.0284 -5.7718 3  754.0516149  72503 30374 965      74 966        s-trans-Propenoic acid
  374862.7308  0.0284 -5.7718 3  754.0516149  72503 303741065      74 866        s-trans-Propenoic acid
  374862.7308  0.0284 -5.3017 3  754.0516149  72503 303741065      74 966        s-trans-Propenoic acid
  374947.1213  0.0057 -5.4980 3  130.4130 49  72503 30324 519      23 420        s-trans-Propenoic acid
  375050.6232  0.0174 -4.1000 3  478.1377 99  72503 303492326      482325        s-trans-Propenoic acid
  375050.6232  0.0174 -4.1000 3  478.1377 99  72503 303492327      482326        s-trans-Propenoic acid
  375059.2536  0.0049 -3.9006 3  405.5171 97  72503 303481633      471632        s-trans-Propenoic acid
  375098.5044  0.0057 -5.8717 3  130.4079 49  72503 30324 519      23 320        s-trans-Propenoic acid
  375105.6976  0.0235 -5.2262 3  634.0235139  72503 30369 663      69 564        s-trans-Propenoic acid
  375105.6976  0.0235 -5.6699 3  634.0235139  72503 30369 663      69 664        s-trans-Propenoic acid
  375105.6976  0.0235 -5.6699 3  634.0235139  72503 30369 763      69 564        s-trans-Propenoic acid
  375105.6976  0.0235 -5.2262 3  634.0235139  72503 30369 763      69 664        s-trans-Propenoic acid
  375127.8613  0.2006 -5.3780 3  907.0752145  72503 303722943      722844        s-trans-Propenoic acid
  375127.8644  0.2006 -5.3780 3  907.0752145  72503 303722944      722845        s-trans-Propenoic acid
  375299.3695  0.0774 -4.9181 3  574.9683105  72503 303522824      522725        s-trans-Propenoic acid
  375299.3695  0.0774 -4.9181 3  574.9683105  72503 303522825      522726        s-trans-Propenoic acid
  375316.4287  0.0050 -3.9000 3  405.5273 97  72503 303481632      471631        s-trans-Propenoic acid
  375519.3850  0.2809 -5.9472 3  863.3637149  72503 303742153      732252        s-trans-Propenoic acid
  375546.6668  0.0062 -3.8469 3  381.2861 95  72503 303471433      461432        s-trans-Propenoic acid
  375591.3223  0.0028 -4.5069 3  200.1458 63  72503 303311120      301021        s-trans-Propenoic acid
  375693.4337  0.0109 -6.0690 3  231.3740 65  72503 303321518      321319        s-trans-Propenoic acid
  375694.9332  0.0053 -4.2998 3  173.0025 51  72503 303251412      241311        s-trans-Propenoic acid
  375694.9381  0.0053 -4.2998 3  173.0025 51  72503 303251411      241312        s-trans-Propenoic acid
  375703.5325  0.0109 -6.0690 3  231.3737 65  72503 303321517      321320        s-trans-Propenoic acid
  375723.9503  0.0153 -4.0670 3  467.9855 99  72503 303492228      482227        s-trans-Propenoic acid
  375723.9504  0.0153 -4.0670 3  467.9855 99  72503 303492227      482226        s-trans-Propenoic acid
  375739.2040  0.0763 -4.9056 3  561.7416103  72503 303512823      512724        s-trans-Propenoic acid
  375739.2040  0.0763 -4.9056 3  561.7416103  72503 303512824      512725        s-trans-Propenoic acid
  375807.9590  0.0207 -5.8573 3  336.0650 89  72503 303441232      44 935        s-trans-Propenoic acid
  375971.6621  0.3921 -5.7721 3 1140.8099167  72503 303833053      832954        s-trans-Propenoic acid
  375972.3316  0.3921 -5.7721 3 1140.8099167  72503 303833054      832955        s-trans-Propenoic acid
  376090.3301  0.0030 -4.4128 3  189.3582 59  72503 303291218      281117        s-trans-Propenoic acid
  376154.0648  0.0754 -4.8944 3  548.7760101  72503 303502822      502723        s-trans-Propenoic acid
  376154.0648  0.0754 -4.8944 3  548.7760101  72503 303502823      502724        s-trans-Propenoic acid
  376180.6483  0.0030 -4.4127 3  189.3556 59  72503 303291217      281118        s-trans-Propenoic acid
  376246.1286  0.0222 -5.2515 3  563.4934133  72503 30366 462      66 363        s-trans-Propenoic acid
  376246.1286  0.0222 -5.6784 3  563.4934133  72503 30366 462      66 463        s-trans-Propenoic acid
  376246.1286  0.0222 -5.6784 3  563.4934133  72503 30366 562      66 363        s-trans-Propenoic acid
  376246.1286  0.0222 -5.2515 3  563.4934133  72503 30366 562      66 463        s-trans-Propenoic acid
  376259.7852  0.1893 -5.3468 3  888.5586143  72503 303712942      712843        s-trans-Propenoic acid
  376259.7867  0.1893 -5.3468 3  888.5586143  72503 303712943      712844        s-trans-Propenoic acid
  376322.9865  0.0038 -4.3487 3  180.3468 55  72503 303271315      261214        s-trans-Propenoic acid
  376323.9909  0.0038 -4.3487 3  180.3468 55  72503 303271314      261215        s-trans-Propenoic acid
  376395.6368  0.0180 -5.8886 3  357.1214 89  72503 303441628      441431        s-trans-Propenoic acid
  376412.8340  0.0327 -5.3520 3  801.8349153  72503 303761066      76 967        s-trans-Propenoic acid
  376412.8340  0.0327 -5.8309 3  801.8349153  72503 303761066      761067        s-trans-Propenoic acid
  376412.8341  0.0327 -5.8309 3  801.8349153  72503 303761166      76 967        s-trans-Propenoic acid
  376412.8341  0.0327 -5.3520 3  801.8349153  72503 303761166      761067        s-trans-Propenoic acid
  376444.6803  0.0346 -5.7282 3  399.2969 97  72503 303481533      481236        s-trans-Propenoic acid
  376502.5495  0.0094 -3.8154 3  431.1692119  72503 30359 158      58 157        s-trans-Propenoic acid
  376502.5495  0.0094 -4.2171 3  431.1692119  72503 30359 158      58 257        s-trans-Propenoic acid
  376502.5495  0.0094 -4.2171 3  431.1692119  72503 30359 258      58 157        s-trans-Propenoic acid
  376502.5495  0.0094 -3.8154 3  431.1692119  72503 30359 258      58 257        s-trans-Propenoic acid
  376502.6596  0.0080 -3.8237 3  430.1365117  72503 30358 256      57 255        s-trans-Propenoic acid
  376502.6596  0.0080 -4.2431 3  430.1365117  72503 30358 256      57 355        s-trans-Propenoic acid
  376502.6596  0.0080 -4.2431 3  430.1365117  72503 30358 356      57 255        s-trans-Propenoic acid
  376502.6596  0.0080 -3.8237 3  430.1365117  72503 30358 356      57 355        s-trans-Propenoic acid
  376505.2733  0.0132 -4.0354 3  458.3330 99  72503 303492129      482128        s-trans-Propenoic acid
  376505.2758  0.0132 -4.0354 3  458.3330 99  72503 303492128      482127        s-trans-Propenoic acid
  376506.0923  0.0116 -3.8062 3  431.6871121  72503 30360 060      59 059        s-trans-Propenoic acid
  376506.0923  0.0116 -4.1919 3  431.6871121  72503 30360 060      59 159        s-trans-Propenoic acid
  376506.0923  0.0116 -4.1919 3  431.6871121  72503 30360 160      59 059        s-trans-Propenoic acid
  376506.0923  0.0116 -3.8062 3  431.6871121  72503 30360 160      59 159        s-trans-Propenoic acid
  376512.3873  0.0073 -3.8310 3  428.5814115  72503 30357 354      56 353        s-trans-Propenoic acid
  376512.3873  0.0073 -4.2703 3  428.5814115  72503 30357 354      56 453        s-trans-Propenoic acid
  376512.3873  0.0073 -4.2703 3  428.5814115  72503 30357 454      56 353        s-trans-Propenoic acid
  376512.3873  0.0073 -3.8310 3  428.5814115  72503 30357 454      56 453        s-trans-Propenoic acid
  376540.4343  0.0068 -3.8373 3  426.4940113  72503 30356 452      55 451        s-trans-Propenoic acid
  376540.4343  0.0068 -4.2988 3  426.4940113  72503 30356 452      55 551        s-trans-Propenoic acid
  376540.4343  0.0068 -4.2988 3  426.4940113  72503 30356 552      55 451        s-trans-Propenoic acid
  376540.4343  0.0068 -3.8373 3  426.4940113  72503 30356 552      55 551        s-trans-Propenoic acid
  376545.0703  0.0747 -4.8844 3  536.0711 99  72503 303492821      492722        s-trans-Propenoic acid
  376545.0703  0.0747 -4.8844 3  536.0711 99  72503 303492822      492723        s-trans-Propenoic acid
  376575.2620  0.1104 -5.9601 3  898.1392101  72503 3035048 2      4948 1        s-trans-Propenoic acid
  376575.2620  0.1104 -5.9601 3  898.1392101  72503 3035048 3      4948 2        s-trans-Propenoic acid
  376595.4275  0.0236 -5.4093 3  496.0351127  72503 30363 261      63 162        s-trans-Propenoic acid
  376595.4275  0.0236 -5.8204 3  496.0351127  72503 30363 261      63 262        s-trans-Propenoic acid
  376595.4275  0.0236 -5.8204 3  496.0351127  72503 30363 361      63 162        s-trans-Propenoic acid
  376595.4275  0.0236 -5.4093 3  496.0351127  72503 30363 361      63 262        s-trans-Propenoic acid
  376599.7998  0.0063 -3.8424 3  423.8618111  72503 30355 550      54 549        s-trans-Propenoic acid
  376599.7998  0.0063 -4.3294 3  423.8618111  72503 30355 550      54 649        s-trans-Propenoic acid
  376599.7998  0.0063 -3.8424 3  423.8618111  72503 30355 650      54 649        s-trans-Propenoic acid
  376599.7999  0.0063 -4.3294 3  423.8618111  72503 30355 650      54 549        s-trans-Propenoic acid
  376694.4833  0.1055 -5.7426 3  876.2625101  72503 3035047 3      4947 2        s-trans-Propenoic acid
  376694.4833  0.1055 -5.7426 3  876.2625101  72503 3035047 4      4947 3        s-trans-Propenoic acid
  376710.5307  0.0059 -4.3627 3  420.6685109  72503 30354 648      53 747        s-trans-Propenoic acid
  376710.5315  0.0059 -3.8464 3  420.6685109  72503 30354 748      53 747        s-trans-Propenoic acid
  376710.5324  0.0059 -3.8464 3  420.6685109  72503 30354 648      53 647        s-trans-Propenoic acid
  376710.5333  0.0059 -4.3627 3  420.6685109  72503 30354 748      53 647        s-trans-Propenoic acid
  376772.0032  0.0034 -4.5299 3  208.4034 65  72503 303321122      311021        s-trans-Propenoic acid
  376817.1236  0.1007 -5.5773 3  854.8465101  72503 3035046 4      4946 3        s-trans-Propenoic acid
  376817.1236  0.1007 -5.5773 3  854.8465101  72503 3035046 5      4946 4        s-trans-Propenoic acid
  376863.9608  0.0046 -5.7313 3  134.4677 47  72503 30323 914      22 715        s-trans-Propenoic acid
  376904.8800  0.0054 -4.3998 3  416.8917107  72503 30353 746      52 845        s-trans-Propenoic acid
  376904.9162  0.0054 -3.8491 3  416.8917107  72503 30353 846      52 845        s-trans-Propenoic acid
  376904.9510  0.0054 -3.8491 3  416.8917107  72503 30353 746      52 745        s-trans-Propenoic acid
  376904.9872  0.0054 -4.3998 3  416.8917107  72503 30353 846      52 745        s-trans-Propenoic acid
  376913.2932  0.0743 -4.8759 3  523.6264 97  72503 303482820      482721        s-trans-Propenoic acid
  376913.2932  0.0743 -4.8759 3  523.6264 97  72503 303482821      482722        s-trans-Propenoic acid
  376943.5907  0.0960 -5.4410 3  833.8914101  72503 3035045 5      4945 4        s-trans-Propenoic acid
  376943.5907  0.0960 -5.4410 3  833.8914101  72503 3035045 6      4945 5        s-trans-Propenoic acid
  376960.9798  0.0044 -3.7983 3  360.9102 93  72503 303461234      451233        s-trans-Propenoic acid
  377074.3404  0.0915 -5.3235 3  813.3978101  72503 3035044 6      4944 5        s-trans-Propenoic acid
  377074.3404  0.0915 -5.3235 3  813.3978101  72503 3035044 7      4944 6        s-trans-Propenoic acid
  377209.8829  0.0870 -5.2191 3  793.3657101  72503 3035043 7      4943 6        s-trans-Propenoic acid
  377209.8829  0.0870 -5.2191 3  793.3657101  72503 3035043 8      4943 7        s-trans-Propenoic acid
  377210.3259  0.0045 -3.8759 3  399.1364 97  72503 303481534      471533        s-trans-Propenoic acid
  377236.7831  0.0050 -4.4425 3  412.4999105  72503 30352 844      51 943        s-trans-Propenoic acid
  377237.9211  0.0050 -3.8501 3  412.4999105  72503 30352 944      51 943        s-trans-Propenoic acid
  377238.9307  0.0050 -3.8501 3  412.4998105  72503 30352 844      51 843        s-trans-Propenoic acid
  377240.0687  0.0050 -4.4424 3  412.4998105  72503 30352 944      51 843        s-trans-Propenoic acid
  377251.1311  0.1051 -5.3646 3  580.5993121  72503 303601644      591743        s-trans-Propenoic acid
  377259.7633  0.0739 -4.8688 3  511.4417 95  72503 303472819      472720        s-trans-Propenoic acid
  377259.7633  0.0739 -4.8688 3  511.4417 95  72503 303472820      472721        s-trans-Propenoic acid
  377336.3037  0.1786 -5.3164 3  870.3127141  72503 303702941      702842        s-trans-Propenoic acid
  377336.3044  0.1786 -5.3164 3  870.3127141  72503 303702942      702843        s-trans-Propenoic acid
  377343.4082  0.0258 -5.2473 3  678.4910143  72503 30371 764      71 665        s-trans-Propenoic acid
  377343.4082  0.0258 -5.6992 3  678.4910143  72503 30371 764      71 765        s-trans-Propenoic acid
  377343.4082  0.0258 -5.6992 3  678.4910143  72503 30371 864      71 665        s-trans-Propenoic acid
  377343.4082  0.0258 -5.2473 3  678.4910143  72503 30371 864      71 765        s-trans-Propenoic acid
  377350.7910  0.0826 -5.1247 3  773.7957101  72503 3035042 8      4942 7        s-trans-Propenoic acid
  377350.7910  0.0826 -5.1247 3  773.7957101  72503 3035042 9      4942 8        s-trans-Propenoic acid
  377419.6994  0.0053 -5.9644 3  112.3018 45  72503 30322 319      21 220        s-trans-Propenoic acid
  377424.0924  0.0112 -4.0053 3  449.1892 99  72503 303492030      482029        s-trans-Propenoic acid
  377424.1313  0.0112 -4.0053 3  449.1892 99  72503 303492029      482028        s-trans-Propenoic acid
  377487.9480  0.0457 -5.9464 3  493.0551109  72503 303541737      541540        s-trans-Propenoic acid
  377497.7099  0.0784 -5.0382 3  754.6881101  72503 3035041 9      4941 8        s-trans-Propenoic acid
  377497.7099  0.0784 -5.0382 3  754.6881101  72503 303504110      4941 9        s-trans-Propenoic acid
  377558.9445  0.0037 -3.8421 3  387.9858 97  72503 303481336      471335        s-trans-Propenoic acid
  377585.4700  0.0738 -4.8632 3  499.5165 93  72503 303462818      462719        s-trans-Propenoic acid
  377585.4700  0.0738 -4.8632 3  499.5165 93  72503 303462819      462720        s-trans-Propenoic acid
  377648.5891  0.0425 -5.9215 3  438.0949101  72503 303501734      501535        s-trans-Propenoic acid
  377651.3688  0.0742 -4.9581 3  736.0433101  72503 303504010      4940 9        s-trans-Propenoic acid
  377651.3688  0.0742 -4.9581 3  736.0433101  72503 303504011      494010        s-trans-Propenoic acid
  377664.6618  0.2107 -6.0814 3 1289.5472189  72503 303941975      941876        s-trans-Propenoic acid
  377669.3178  0.2108 -6.0814 3 1289.5472189  72503 303942075      941976        s-trans-Propenoic acid
  377694.3486  0.3706 -5.7320 3 1119.3237165  72503 303823052      822953        s-trans-Propenoic acid
  377694.6930  0.3706 -5.7320 3 1119.3237165  72503 303823053      822954        s-trans-Propenoic acid
  377701.7115  0.0052 -5.9639 3  112.3018 45  72503 30322 419      21 120        s-trans-Propenoic acid
  377721.2513  0.0389 -5.4098 3  850.9179157  72503 303781167      781068        s-trans-Propenoic acid
  377721.2513  0.0389 -5.8976 3  850.9179157  72503 303781167      781168        s-trans-Propenoic acid
  377721.2515  0.0389 -5.8976 3  850.9179157  72503 303781267      781068        s-trans-Propenoic acid
  377721.2515  0.0389 -5.4098 3  850.9179157  72503 303781267      781168        s-trans-Propenoic acid
  377722.9471  0.0038 -3.8265 3  382.2095 97  72503 303481137      471136        s-trans-Propenoic acid
  377777.8392  0.0045 -4.4938 3  407.4467103  72503 30351 942      501041        s-trans-Propenoic acid
  377804.8909  0.0045 -3.8492 3  407.4467103  72503 303511042      501041        s-trans-Propenoic acid
  377812.5939  0.0702 -4.8833 3  717.8618101  72503 303503911      493910        s-trans-Propenoic acid
  377812.5939  0.0702 -4.8833 3  717.8618101  72503 303503912      493911        s-trans-Propenoic acid
  377826.6307  0.0045 -3.8491 3  407.4451103  72503 30351 942      50 941        s-trans-Propenoic acid
  377835.5265  0.0467 -5.9664 3  507.5333111  72503 303551738      551541        s-trans-Propenoic acid
  377853.6824  0.0045 -4.4936 3  407.4451103  72503 303511042      50 941        s-trans-Propenoic acid
  377891.3647  0.0737 -4.8592 3  487.8504 91  72503 303452817      452718        s-trans-Propenoic acid
  377891.3647  0.0737 -4.8592 3  487.8504 91  72503 303452818      452719        s-trans-Propenoic acid
  377982.3254  0.0662 -4.8131 3  700.1440101  72503 303503812      493811        s-trans-Propenoic acid
  377982.3254  0.0662 -4.8131 3  700.1440101  72503 303503813      493812        s-trans-Propenoic acid
  378161.6365  0.0623 -4.7470 3  682.8905101  72503 303503713      493712        s-trans-Propenoic acid
  378161.6365  0.0623 -4.7470 3  682.8905101  72503 303503714      493713        s-trans-Propenoic acid
  378178.3632  0.0737 -4.8571 3  476.4431 89  72503 303442816      442717        s-trans-Propenoic acid
  378178.3632  0.0737 -4.8571 3  476.4431 89  72503 303442817      442718        s-trans-Propenoic acid
  378193.7194  0.0035 -4.6577 3  204.2643 65  72503 303321022      31 923        s-trans-Propenoic acid
  378231.3553  0.0040 -4.5615 3  401.6645101  72503 303501040      491139        s-trans-Propenoic acid
  378274.9849  0.0056 -5.4797 3  160.9887 55  72503 30327 918      26 719        s-trans-Propenoic acid
  378279.6256  0.0172 -5.8968 3  345.6676 87  72503 303431628      431429        s-trans-Propenoic acid
  378341.6649  0.0050 -5.6756 3  140.6303 49  72503 30324 915      23 716        s-trans-Propenoic acid
  378346.6240  0.0070 -4.6737 3  254.0942 75  72503 303371127      361026        s-trans-Propenoic acid
  378351.7580  0.0586 -4.6844 3  666.1020101  72503 303503614      493613        s-trans-Propenoic acid
  378351.7580  0.0586 -4.6844 3  666.1020101  72503 303503615      493614        s-trans-Propenoic acid
  378360.1550  0.1687 -5.2869 3  852.3369139  72503 303692940      692841        s-trans-Propenoic acid
  378360.1553  0.1687 -5.2869 3  852.3369139  72503 303692941      692842        s-trans-Propenoic acid
  378425.0948  0.0056 -5.5514 3  153.9039 53  72503 30326 917      25 718        s-trans-Propenoic acid
  378447.3471  0.0739 -4.8569 3  465.2942 87  72503 303432815      432716        s-trans-Propenoic acid
  378447.3471  0.0739 -4.8569 3  465.2942 87  72503 303432816      432717        s-trans-Propenoic acid
  378522.5959  0.0094 -3.9765 3  440.5663 99  72503 303491931      481930        s-trans-Propenoic acid
  378523.1178  0.0094 -3.9765 3  440.5663 99  72503 303491930      481929        s-trans-Propenoic acid
  378554.1071  0.0549 -4.6251 3  649.7789101  72503 303503515      493514        s-trans-Propenoic acid
  378554.1071  0.0549 -4.6251 3  649.7789101  72503 303503516      493515        s-trans-Propenoic acid
  378625.8672  0.0169 -4.1557 3  163.4194 37  72503 3031818 0      1717 1        s-trans-Propenoic acid
  378625.8672  0.0169 -4.1557 3  163.4194 37  72503 3031818 1      1717 0        s-trans-Propenoic acid
  378650.6162  0.0041 -3.8549 3  393.3521 97  72503 303481435      471434        s-trans-Propenoic acid
  378699.1661  0.0740 -4.8587 3  454.4034 85  72503 303422814      422715        s-trans-Propenoic acid
  378699.1661  0.0740 -4.8587 3  454.4034 85  72503 303422815      422716        s-trans-Propenoic acid
  378703.5622  0.0054 -5.6167 3  147.1121 51  72503 30325 916      24 717        s-trans-Propenoic acid
  378705.3467  0.0041 -3.8458 3  401.6645101  72503 303501140      491139        s-trans-Propenoic acid
  378770.3233  0.0514 -4.5687 3  633.9222101  72503 303503416      493415        s-trans-Propenoic acid
  378770.3233  0.0514 -4.5687 3  633.9222101  72503 303503417      493416        s-trans-Propenoic acid
  378776.4745  0.0477 -5.4743 3  901.2941161  72503 303801268      801169        s-trans-Propenoic acid
  378776.4745  0.0477 -5.9714 3  901.2941161  72503 303801268      801269        s-trans-Propenoic acid
  378776.4752  0.0477 -5.4743 3  901.2941161  72503 303801368      801269        s-trans-Propenoic acid
  378776.4753  0.0477 -5.9714 3  901.2941161  72503 303801368      801169        s-trans-Propenoic acid
  378853.1223  0.0440 -5.9307 3  478.8280107  72503 303531736      531539        s-trans-Propenoic acid
  378889.2397  0.0052 -3.8722 3  399.2154 97  72503 303481533      471532        s-trans-Propenoic acid
  378893.2030  0.0059 -5.9569 3  119.0465 43  72503 30321 814      20 515        s-trans-Propenoic acid
  378894.1617  0.1746 -5.9798 3 1230.3187185  72503 303921874      921775        s-trans-Propenoic acid
  378895.1688  0.0241 -5.2377 3  605.9257137  72503 30368 563      68 464        s-trans-Propenoic acid
  378895.1688  0.0241 -5.6725 3  605.9257137  72503 30368 563      68 564        s-trans-Propenoic acid
  378895.1688  0.0241 -5.6725 3  605.9257137  72503 30368 663      68 464        s-trans-Propenoic acid
  378895.1688  0.0241 -5.2377 3  605.9257137  72503 30368 663      68 564        s-trans-Propenoic acid
  378895.6909  0.1746 -5.9798 3 1230.3187185  72503 303921974      921875        s-trans-Propenoic acid
  378934.6394  0.0743 -4.8629 3  443.7704 83  72503 303412813      412714        s-trans-Propenoic acid
  378934.6394  0.0743 -4.8629 3  443.7704 83  72503 303412814      412715        s-trans-Propenoic acid
  379002.3131  0.0479 -4.5150 3  618.5326101  72503 303503317      493316        s-trans-Propenoic acid
  379002.3131  0.0479 -4.5150 3  618.5326101  72503 303503318      493317        s-trans-Propenoic acid
  379007.1223  0.0052 -5.6870 3  121.2203 47  72503 30323 419      22 320        s-trans-Propenoic acid
  379022.3416  0.0052 -6.0722 3  121.2198 47  72503 30323 419      22 220        s-trans-Propenoic acid
  379038.3395  0.0041 -3.8450 3  401.6376101  72503 303501040      491039        s-trans-Propenoic acid
  379154.5569  0.0746 -4.8698 3  433.3948 81  72503 303402812      402713        s-trans-Propenoic acid
  379154.5569  0.0746 -4.8698 3  433.3948 81  72503 303402813      402714        s-trans-Propenoic acid
  379178.2892  0.0055 -4.8409 3  192.4563 63  72503 30331 922      30 823        s-trans-Propenoic acid
  379233.2082  0.0052 -5.4059 3  168.3446 57  72503 30328 919      27 720        s-trans-Propenoic acid
  379252.3061  0.0445 -4.4638 3  603.6111101  72503 303503218      493217        s-trans-Propenoic acid
  379252.3061  0.0445 -4.4638 3  603.6111101  72503 303503219      493218        s-trans-Propenoic acid
  379331.7277  0.3503 -5.6928 3 1098.1153163  72503 303813051      812952        s-trans-Propenoic acid
  379331.9027  0.3503 -5.6928 3 1098.1153163  72503 303813052      812953        s-trans-Propenoic acid
  379333.8934  0.1594 -5.2582 3  834.6305137  72503 303682939      682840        s-trans-Propenoic acid
  379333.8935  0.1594 -5.2582 3  834.6305137  72503 303682940      682841        s-trans-Propenoic acid
  379359.6810  0.0749 -4.8795 3  423.2763 79  72503 303392811      392712        s-trans-Propenoic acid
  379359.6810  0.0749 -4.8795 3  423.2763 79  72503 303392812      392713        s-trans-Propenoic acid
  379370.8811  0.0283 -5.2804 3  724.2778147  72503 30373 865      73 766        s-trans-Propenoic acid
  379370.8811  0.0283 -5.7406 3  724.2778147  72503 30373 865      73 866        s-trans-Propenoic acid
  379370.8811  0.0283 -5.7406 3  724.2778147  72503 30373 965      73 766        s-trans-Propenoic acid
  379370.8811  0.0283 -5.2804 3  724.2778147  72503 30373 965      73 866        s-trans-Propenoic acid
  379465.4471  0.0037 -3.8410 3  395.1068 99  72503 303491238      481237        s-trans-Propenoic acid
  379512.3309  0.0043 -4.5584 3  401.6376101  72503 303501140      491039        s-trans-Propenoic acid
  379522.9250  0.0413 -4.4149 3  589.1589101  72503 303503119      493118        s-trans-Propenoic acid
  379522.9250  0.0413 -4.4149 3  589.1589101  72503 303503120      493119        s-trans-Propenoic acid
  379550.7476  0.0753 -4.8927 3  413.4147 77  72503 303382810      382711        s-trans-Propenoic acid
  379550.7476  0.0753 -4.8927 3  413.4147 77  72503 303382811      382712        s-trans-Propenoic acid
  379565.3744  0.0596 -6.0516 3  952.9568165  72503 303821369      821370        s-trans-Propenoic acid
  379565.3746  0.0596 -5.5451 3  952.9568165  72503 303821369      821270        s-trans-Propenoic acid
  379565.3775  0.0596 -5.5451 3  952.9568165  72503 303821469      821370        s-trans-Propenoic acid
  379565.3777  0.0596 -6.0516 3  952.9568165  72503 303821469      821270        s-trans-Propenoic acid
  379585.1267  0.0081 -6.0565 3  225.7810 69  72503 303341124      34 827        s-trans-Propenoic acid
  379600.9239  0.0278 -5.6481 3  469.9854125  72503 30362 161      62 062        s-trans-Propenoic acid
  379600.9239  0.0278 -6.0515 3  469.9854125  72503 30362 161      62 162        s-trans-Propenoic acid
  379600.9239  0.0278 -6.0515 3  469.9854125  72503 30362 261      62 062        s-trans-Propenoic acid
  379600.9239  0.0278 -5.6481 3  469.9854125  72503 30362 261      62 162        s-trans-Propenoic acid
  379620.5544  0.0238 -5.3115 3  536.4075131  72503 30365 362      65 263        s-trans-Propenoic acid
  379620.5544  0.0238 -5.7302 3  536.4075131  72503 30365 362      65 363        s-trans-Propenoic acid
  379620.5544  0.0238 -5.7302 3  536.4075131  72503 30365 462      65 263        s-trans-Propenoic acid
  379620.5544  0.0238 -5.3115 3  536.4075131  72503 30365 462      65 363        s-trans-Propenoic acid
  379718.3006  0.1433 -5.8828 3 1172.3315181  72503 303901773      901674        s-trans-Propenoic acid
  379718.7816  0.1433 -5.8828 3 1172.3315181  72503 303901873      901774        s-trans-Propenoic acid
  379728.4669  0.0757 -4.9098 3  403.8095 75  72503 3033728 9      372710        s-trans-Propenoic acid
  379728.4669  0.0757 -4.9098 3  403.8095 75  72503 303372810      372711        s-trans-Propenoic acid
  379786.7631  0.0038 -5.7814 3  128.4313 45  72503 30322 914      21 715        s-trans-Propenoic acid
  379817.2761  0.0381 -4.3682 3  575.1771101  72503 303503020      493019        s-trans-Propenoic acid
  379817.2761  0.0381 -4.3682 3  575.1771101  72503 303503021      493020        s-trans-Propenoic acid
  379825.5134  0.0056 -5.7933 3  124.7079 45  72503 30322 815      21 516        s-trans-Propenoic acid
  379862.9526  0.0078 -3.9488 3  432.4811 99  72503 303491832      481831        s-trans-Propenoic acid
  379868.9414  0.0078 -3.9488 3  432.4813 99  72503 303491831      481830        s-trans-Propenoic acid
  379869.0604  0.0132 -4.1863 3  165.1308 41  72503 3032017 3      1916 4        s-trans-Propenoic acid
  379869.0604  0.0132 -4.1863 3  165.1308 41  72503 3032017 4      1916 3        s-trans-Propenoic acid
  379893.5249  0.0761 -4.9316 3  394.4606 73  72503 3033628 8      3627 9        s-trans-Propenoic acid
  379893.5249  0.0761 -4.9316 3  394.4606 73  72503 3033628 9      362710        s-trans-Propenoic acid
  380046.5838  0.0765 -4.9592 3  385.3676 71  72503 3033528 7      3527 8        s-trans-Propenoic acid
  380046.5838  0.0765 -4.9592 3  385.3676 71  72503 3033528 8      3527 9        s-trans-Propenoic acid
  380072.8899  0.0748 -5.6216 3 1005.8991169  72503 303841470      841371        s-trans-Propenoic acid
  380072.9013  0.0748 -5.6216 3 1005.8991169  72503 303841570      841471        s-trans-Propenoic acid
  380093.1601  0.0167 -5.8932 3  345.6078 87  72503 303431627      431430        s-trans-Propenoic acid
  380139.0663  0.0351 -4.3236 3  561.6673101  72503 303502921      492920        s-trans-Propenoic acid
  380139.0663  0.0351 -4.3236 3  561.6673101  72503 303502922      492921        s-trans-Propenoic acid
  380171.3589  0.1164 -5.7907 3 1115.5939177  72503 303881672      881573        s-trans-Propenoic acid
  380171.5035  0.1164 -5.7907 3 1115.5939177  72503 303881772      881673        s-trans-Propenoic acid
  380188.2835  0.0769 -4.9938 3  376.5303 69  72503 3033428 6      3427 7        s-trans-Propenoic acid
  380188.2835  0.0769 -4.9938 3  376.5303 69  72503 3033428 7      3427 8        s-trans-Propenoic acid
  380259.9078  0.1508 -5.2305 3  817.1928135  72503 303672938      672839        s-trans-Propenoic acid
  380259.9079  0.1508 -5.2305 3  817.1928135  72503 303672939      672840        s-trans-Propenoic acid
  380281.6300  0.0937 -5.7036 3 1060.1139173  72503 303861571      861472        s-trans-Propenoic acid
  380281.6715  0.0937 -5.7036 3 1060.1139173  72503 303861671      861572        s-trans-Propenoic acid
  380319.2413  0.0774 -5.0377 3  367.9484 67  72503 3033328 5      3327 6        s-trans-Propenoic acid
  380319.2413  0.0774 -5.0377 3  367.9484 67  72503 3033328 6      3327 7        s-trans-Propenoic acid
  380345.8558  0.5892 -6.0686 3 1311.1317181  72503 303903159      903060        s-trans-Propenoic acid
  380351.9262  0.5891 -6.0686 3 1311.1314181  72503 303903160      903061        s-trans-Propenoic acid
  380388.6780  0.0038 -4.5519 3  216.8795 67  72503 303331123      321022        s-trans-Propenoic acid
  380440.0536  0.0778 -5.0941 3  359.6217 65  72503 3033228 4      3227 5        s-trans-Propenoic acid
  380440.0536  0.0778 -5.0941 3  359.6217 65  72503 3033228 5      3227 6        s-trans-Propenoic acid
  380466.7745  0.0469 -5.9923 3  522.2538113  72503 303561739      561542        s-trans-Propenoic acid
  380492.7555  0.0321 -4.2810 3  548.6313101  72503 303502822      492821        s-trans-Propenoic acid
  380492.7555  0.0321 -4.2810 3  548.6313101  72503 303502823      492822        s-trans-Propenoic acid
  380551.2958  0.0783 -5.1685 3  351.5498 63  72503 3033128 3      3127 4        s-trans-Propenoic acid
  380551.2958  0.0783 -5.1685 3  351.5498 63  72503 3033128 4      3127 5        s-trans-Propenoic acid
  380556.0903  0.0217 -5.8789 3  321.7167 85  72503 303421428      421131        s-trans-Propenoic acid
  380653.5232  0.0787 -5.2711 3  343.7327 61  72503 3033028 2      3027 3        s-trans-Propenoic acid
  380653.5232  0.0787 -5.2711 3  343.7327 61  72503 3033028 3      3027 4        s-trans-Propenoic acid
  380661.8841  0.0053 -5.3690 3  173.3322 59  72503 30329 821      28 622        s-trans-Propenoic acid
  380747.2714  0.0792 -5.4250 3  336.1700 59  72503 3032928 1      2927 2        s-trans-Propenoic acid
  380747.2714  0.0792 -5.4250 3  336.1700 59  72503 3032928 2      2927 3        s-trans-Propenoic acid
  380833.0564  0.0796 -5.7041 3  328.8615 57  72503 3032828 0      2827 1        s-trans-Propenoic acid
  380833.0564  0.0796 -5.7041 3  328.8615 57  72503 3032828 1      2827 2        s-trans-Propenoic acid
  380846.8293  0.0050 -6.0693 3  121.2203 47  72503 30323 519      22 320        s-trans-Propenoic acid
  380862.0486  0.0049 -5.6842 3  121.2198 47  72503 30323 519      22 220        s-trans-Propenoic acid
  380883.7610  0.0293 -4.2403 3  536.0711101  72503 303502723      492722        s-trans-Propenoic acid
  380883.7610  0.0293 -4.2403 3  536.0711101  72503 303502724      492723        s-trans-Propenoic acid
  380888.8814  0.3310 -5.6545 3 1077.1836161  72503 303803050      802951        s-trans-Propenoic acid
  380888.9692  0.3310 -5.6545 3 1077.1836161  72503 303803051      802952        s-trans-Propenoic acid
  381079.0165  0.0100 -4.2187 3  168.3453 45  72503 3032216 6      2115 7        s-trans-Propenoic acid
  381079.0165  0.0100 -4.2187 3  168.3453 45  72503 3032216 7      2115 6        s-trans-Propenoic acid
  381140.4373  0.1428 -5.2036 3  800.0232133  72503 303662937      662838        s-trans-Propenoic acid
  381140.4373  0.1428 -5.2036 3  800.0232133  72503 303662938      662839        s-trans-Propenoic acid
  381180.5564  0.0315 -5.3234 3  771.3774151  72503 30375 966      75 867        s-trans-Propenoic acid
  381180.5564  0.0315 -5.7922 3  771.3774151  72503 30375 966      75 967        s-trans-Propenoic acid
  381180.5564  0.0315 -5.7922 3  771.3774151  72503 303751066      75 867        s-trans-Propenoic acid
  381180.5564  0.0315 -5.3234 3  771.3774151  72503 303751066      75 967        s-trans-Propenoic acid
  381318.7341  0.0265 -4.2013 3  523.9892101  72503 303502624      492623        s-trans-Propenoic acid
  381318.7341  0.0265 -4.2013 3  523.9892101  72503 303502625      492624        s-trans-Propenoic acid
  381350.3753  0.0264 -5.2447 3  649.6895141  72503 30370 664      70 565        s-trans-Propenoic acid
  381350.3753  0.0264 -5.6875 3  649.6895141  72503 30370 664      70 665        s-trans-Propenoic acid
  381350.3753  0.0264 -5.6875 3  649.6895141  72503 30370 764      70 565        s-trans-Propenoic acid
  381350.3753  0.0264 -5.2447 3  649.6895141  72503 30370 764      70 665        s-trans-Propenoic acid
  381397.6432  0.3224 -6.0584 3  931.2403155  72503 303772255      762354        s-trans-Propenoic acid
  381438.4974  0.0062 -4.6436 3  244.2958 73  72503 303361126      351025        s-trans-Propenoic acid
  381439.5136  0.0415 -5.9185 3  464.8604105  72503 303521735      521538        s-trans-Propenoic acid
  381531.1191  0.0064 -3.9221 3  424.9575 99  72503 303491733      481732        s-trans-Propenoic acid
  381588.7692  0.0064 -3.9219 3  424.9595 99  72503 303491732      481731        s-trans-Propenoic acid
  381805.9430  0.0238 -4.1641 3  512.3888101  72503 303502525      492524        s-trans-Propenoic acid
  381805.9430  0.0238 -4.1641 3  512.3888101  72503 303502526      492525        s-trans-Propenoic acid
  381888.0217  0.0285 -5.6911 3  452.9678105  72503 303521537      521240        s-trans-Propenoic acid
  381977.5852  0.1355 -5.1776 3  783.1210131  72503 303652936      652837        s-trans-Propenoic acid
  381977.5852  0.1355 -5.1776 3  783.1210131  72503 303652937      652838        s-trans-Propenoic acid
  382125.8864  0.0049 -4.6509 3  407.7644101  72503 303501139      491238        s-trans-Propenoic acid
  382173.2192  0.0256 -5.7996 3  376.9345 95  72503 303471334      471037        s-trans-Propenoic acid
  382200.3554  0.0073 -4.2546 3  173.0822 49  72503 3032415 9      231410        s-trans-Propenoic acid
  382200.3554  0.0073 -4.2546 3  173.0822 49  72503 303241510      2314 9        s-trans-Propenoic acid
  382355.8172  0.0213 -4.1285 3  501.2735101  72503 303502426      492425        s-trans-Propenoic acid
  382355.8172  0.0213 -4.1285 3  501.2735101  72503 303502427      492426        s-trans-Propenoic acid
  382370.4267  0.3127 -5.6170 3 1056.5277159  72503 303793049      792950        s-trans-Propenoic acid
  382370.4702  0.3127 -5.6170 3 1056.5277159  72503 303793050      792951        s-trans-Propenoic acid
  382380.6833  0.0046 -5.3389 3  175.9470 59  72503 30329 920      28 721        s-trans-Propenoic acid
  382438.9891  0.0052 -5.6427 3  130.5851 47  72503 30323 816      22 517        s-trans-Propenoic acid
  382464.7857  0.0252 -5.2679 3  578.1235135  72503 30367 463      67 364        s-trans-Propenoic acid
  382464.7857  0.0252 -5.6943 3  578.1235135  72503 30367 463      67 464        s-trans-Propenoic acid
  382464.7857  0.0252 -5.6943 3  578.1235135  72503 30367 563      67 364        s-trans-Propenoic acid
  382464.7857  0.0252 -5.2679 3  578.1235135  72503 30367 563      67 464        s-trans-Propenoic acid
  382478.7584  0.5584 -6.0232 3 1287.7505179  72503 303893158      893059        s-trans-Propenoic acid
  382482.0386  0.5583 -6.0231 3 1287.7504179  72503 303893159      893060        s-trans-Propenoic acid
  382516.4501  0.0045 -4.5792 3  225.6832 69  72503 303341124      331023        s-trans-Propenoic acid
  382578.0277  0.0158 -5.9021 3  334.4107 85  72503 303421627      421428        s-trans-Propenoic acid
  382666.7095  0.0042 -3.8327 3  394.8090 99  72503 303491138      481137        s-trans-Propenoic acid
  382714.5558  0.0088 -3.8283 3  442.6953119  72503 30359 257      58 256        s-trans-Propenoic acid
  382714.5558  0.0088 -4.2470 3  442.6953119  72503 30359 257      58 356        s-trans-Propenoic acid
  382714.5558  0.0088 -4.2470 3  442.6953119  72503 30359 357      58 256        s-trans-Propenoic acid
  382714.5558  0.0088 -3.8283 3  442.6953119  72503 30359 357      58 356        s-trans-Propenoic acid
  382714.7788  0.0103 -3.8202 3  443.7280121  72503 30360 159      59 158        s-trans-Propenoic acid
  382714.7788  0.0103 -4.2215 3  443.7280121  72503 30360 159      59 258        s-trans-Propenoic acid
  382714.7788  0.0103 -4.2215 3  443.7280121  72503 30360 259      59 158        s-trans-Propenoic acid
  382714.7788  0.0103 -3.8202 3  443.7280121  72503 30360 259      59 258        s-trans-Propenoic acid
  382718.4010  0.0128 -3.8112 3  444.2460123  72503 30361 061      60 060        s-trans-Propenoic acid
  382718.4010  0.0128 -4.1967 3  444.2460123  72503 30361 061      60 160        s-trans-Propenoic acid
  382718.4010  0.0128 -4.1967 3  444.2460123  72503 30361 161      60 060        s-trans-Propenoic acid
  382718.4010  0.0128 -3.8112 3  444.2460123  72503 30361 161      60 160        s-trans-Propenoic acid
  382723.4363  0.0080 -3.8354 3  441.1405117  72503 30358 355      57 354        s-trans-Propenoic acid
  382723.4363  0.0080 -4.2735 3  441.1405117  72503 30358 355      57 454        s-trans-Propenoic acid
  382723.4363  0.0080 -4.2735 3  441.1405117  72503 30358 455      57 354        s-trans-Propenoic acid
  382723.4363  0.0080 -3.8354 3  441.1405117  72503 30358 455      57 454        s-trans-Propenoic acid
  382749.6800  0.0074 -3.8415 3  439.0540115  72503 30357 453      56 452        s-trans-Propenoic acid
  382749.6800  0.0074 -4.3014 3  439.0540115  72503 30357 453      56 552        s-trans-Propenoic acid
  382749.6800  0.0074 -4.3014 3  439.0540115  72503 30357 553      56 452        s-trans-Propenoic acid
  382749.6800  0.0074 -3.8415 3  439.0540115  72503 30357 553      56 552        s-trans-Propenoic acid
  382752.3352  0.1423 -5.4739 3  635.5851127  72503 303631746      621845        s-trans-Propenoic acid
  382763.9385  0.0359 -5.3750 3  819.7837155  72503 303771067      77 968        s-trans-Propenoic acid
  382763.9385  0.0359 -5.8524 3  819.7837155  72503 303771067      771068        s-trans-Propenoic acid
  382763.9386  0.0359 -5.8524 3  819.7837155  72503 303771167      77 968        s-trans-Propenoic acid
  382763.9386  0.0359 -5.3750 3  819.7837155  72503 303771167      771068        s-trans-Propenoic acid
  382773.3315  0.1287 -5.1524 3  766.4857129  72503 303642935      642836        s-trans-Propenoic acid
  382773.3315  0.1287 -5.1524 3  766.4857129  72503 303642936      642837        s-trans-Propenoic acid
  382803.2293  0.0267 -5.4236 3  509.6298129  72503 30364 262      64 163        s-trans-Propenoic acid
  382803.2293  0.0267 -5.8344 3  509.6298129  72503 30364 262      64 263        s-trans-Propenoic acid
  382803.2293  0.0267 -5.8344 3  509.6298129  72503 30364 362      64 163        s-trans-Propenoic acid
  382803.2293  0.0267 -5.4236 3  509.6298129  72503 30364 362      64 263        s-trans-Propenoic acid
  382805.5204  0.0069 -3.8465 3  436.4239113  72503 30356 551      55 550        s-trans-Propenoic acid
  382805.5204  0.0069 -4.3311 3  436.4239113  72503 30356 551      55 650        s-trans-Propenoic acid
  382805.5204  0.0069 -4.3311 3  436.4239113  72503 30356 651      55 550        s-trans-Propenoic acid
  382805.5204  0.0069 -3.8465 3  436.4239113  72503 30356 651      55 650        s-trans-Propenoic acid
  382890.2555  0.0053 -4.6107 3  234.8221 71  72503 303351125      341024        s-trans-Propenoic acid
  382909.6316  0.0065 -4.3633 3  433.2342111  72503 30355 649      54 748        s-trans-Propenoic acid
  382909.6320  0.0065 -3.8504 3  433.2342111  72503 30355 749      54 748        s-trans-Propenoic acid
  382909.6325  0.0065 -3.8504 3  433.2342111  72503 30355 649      54 648        s-trans-Propenoic acid
  382909.6329  0.0065 -4.3633 3  433.2342111  72503 30355 749      54 648        s-trans-Propenoic acid
  382981.7427  0.0188 -4.0945 3  490.6481101  72503 303502327      492326        s-trans-Propenoic acid
  382981.7427  0.0188 -4.0945 3  490.6481101  72503 303502328      492327        s-trans-Propenoic acid
  383022.4503  0.0030 -4.4165 3  196.8515 61  72503 303301219      291118        s-trans-Propenoic acid
  383091.6924  0.0060 -4.3990 3  429.4639109  72503 30354 747      53 846        s-trans-Propenoic acid
  383091.7108  0.0060 -3.8529 3  429.4639109  72503 30354 847      53 846        s-trans-Propenoic acid
  383091.7286  0.0060 -3.8529 3  429.4639109  72503 30354 747      53 746        s-trans-Propenoic acid
  383091.7470  0.0060 -4.3990 3  429.4639109  72503 30354 847      53 746        s-trans-Propenoic acid
  383121.6420  0.0052 -4.2964 3  179.3719 53  72503 303261413      251312        s-trans-Propenoic acid
  383121.6572  0.0052 -4.2964 3  179.3719 53  72503 303261412      251313        s-trans-Propenoic acid
  383143.8455  0.0029 -4.5197 3  208.2322 65  72503 303321121      311022        s-trans-Propenoic acid
  383214.4920  0.0030 -4.4162 3  196.8460 61  72503 303301218      291119        s-trans-Propenoic acid
  383400.9915  0.0055 -4.4399 3  425.0832107  72503 30353 845      52 944        s-trans-Propenoic acid
  383401.5909  0.0055 -3.8538 3  425.0832107  72503 30353 945      52 944        s-trans-Propenoic acid
  383402.1295  0.0055 -3.8538 3  425.0832107  72503 30353 845      52 844        s-trans-Propenoic acid
  383402.7289  0.0055 -4.4399 3  425.0832107  72503 30353 945      52 844        s-trans-Propenoic acid
  383409.3463  0.0811 -5.9814 3  514.2563111  72503 303551838      551639        s-trans-Propenoic acid
  383427.8066  0.0386 -6.0576 3  501.4665111  72503 303551639      551442        s-trans-Propenoic acid
  383455.0777  0.0047 -5.8629 3  130.4130 49  72503 30324 619      23 420        s-trans-Propenoic acid
  383529.5437  0.1226 -5.1282 3  750.1167127  72503 303632934      632835        s-trans-Propenoic acid
  383529.5437  0.1226 -5.1282 3  750.1167127  72503 303632935      632836        s-trans-Propenoic acid
  383581.8131  0.0054 -3.8963 3  418.0278 99  72503 303491634      481633        s-trans-Propenoic acid
  383588.0782  0.0156 -5.9000 3  334.3774 85  72503 303421626      421429        s-trans-Propenoic acid
  383605.9751  0.0289 -5.2671 3  694.7788145  72503 30372 765      72 666        s-trans-Propenoic acid
  383605.9751  0.0289 -5.7180 3  694.7788145  72503 30372 765      72 766        s-trans-Propenoic acid
  383605.9751  0.0289 -5.7180 3  694.7788145  72503 30372 865      72 666        s-trans-Propenoic acid
  383605.9751  0.0289 -5.2671 3  694.7788145  72503 30372 865      72 766        s-trans-Propenoic acid
  383606.4608  0.0047 -5.4903 3  130.4079 49  72503 30324 619      23 320        s-trans-Propenoic acid
  383608.5220  0.0037 -4.3478 3  187.2643 57  72503 303281316      271215        s-trans-Propenoic acid
  383611.0723  0.0037 -4.3478 3  187.2642 57  72503 303281315      271216        s-trans-Propenoic acid
  383635.8355  0.1466 -6.0725 3  597.6170121  72503 303601942      601743        s-trans-Propenoic acid
  383701.2656  0.0165 -4.0620 3  480.5183101  72503 303502229      492228        s-trans-Propenoic acid
  383701.2659  0.0165 -4.0620 3  480.5183101  72503 303502228      492227        s-trans-Propenoic acid
  383780.5798  0.2954 -5.5804 3 1036.1468157  72503 303783048      782949        s-trans-Propenoic acid
  383780.6011  0.2954 -5.5804 3 1036.1468157  72503 303783049      782950        s-trans-Propenoic acid
  383870.4458  0.0069 -3.8104 3  376.8779 95  72503 303471334      461333        s-trans-Propenoic acid
  383910.8197  0.0039 -3.7997 3  373.4843 95  72503 303471235      461234        s-trans-Propenoic acid
  383911.2669  0.0050 -4.4885 3  420.0489105  72503 30352 943      511042        s-trans-Propenoic acid
  383926.1436  0.0050 -3.8529 3  420.0489105  72503 303521043      511042        s-trans-Propenoic acid
  383938.3186  0.0050 -3.8529 3  420.0480105  72503 30352 943      51 942        s-trans-Propenoic acid
  383953.1952  0.0050 -4.4884 3  420.0480105  72503 303521043      51 942        s-trans-Propenoic acid
  384033.0006  0.0055 -3.8953 3  418.0465 99  72503 303491633      481632        s-trans-Propenoic acid
  384035.7416  0.1247 -6.0158 3  933.0337103  72503 3035149 2      5049 1        s-trans-Propenoic acid
  384035.7416  0.1247 -6.0158 3  933.0337103  72503 3035149 3      5049 2        s-trans-Propenoic acid
  384082.3086  0.0492 -5.0743 3  493.0551111  72503 303551441      541540        s-trans-Propenoic acid
  384111.4487  0.0423 -5.4341 3  869.4904159  72503 303791168      791069        s-trans-Propenoic acid
  384111.4487  0.0423 -5.9203 3  869.4904159  72503 303791168      791169        s-trans-Propenoic acid
  384111.4488  0.0423 -5.9203 3  869.4904159  72503 303791268      791069        s-trans-Propenoic acid
  384111.4488  0.0423 -5.4341 3  869.4904159  72503 303791268      791169        s-trans-Propenoic acid
  384156.8789  0.1193 -5.7973 3  910.7004103  72503 3035148 3      5048 2        s-trans-Propenoic acid
  384156.8789  0.1193 -5.7973 3  910.7004103  72503 3035148 4      5048 3        s-trans-Propenoic acid
  384247.9866  0.1170 -5.1049 3  734.0134125  72503 303622933      622834        s-trans-Propenoic acid
  384247.9866  0.1170 -5.1049 3  734.0134125  72503 303622934      622835        s-trans-Propenoic acid
  384281.3019  0.1141 -5.6310 3  888.8277103  72503 3035147 4      5047 3        s-trans-Propenoic acid
  384281.3019  0.1141 -5.6310 3  888.8277103  72503 3035147 5      5047 4        s-trans-Propenoic acid
  384409.3996  0.1089 -5.4936 3  867.4157103  72503 3035146 5      5046 4        s-trans-Propenoic acid
  384409.3996  0.1089 -5.4936 3  867.4157103  72503 3035146 6      5046 5        s-trans-Propenoic acid
  384503.0487  0.5291 -5.9786 3 1264.6517177  72503 303883157      883058        s-trans-Propenoic acid
  384504.8004  0.5291 -5.9786 3 1264.6516177  72503 303883158      883059        s-trans-Propenoic acid
  384505.3994  0.0044 -4.5509 3  414.2968103  72503 303511041      501140        s-trans-Propenoic acid
  384537.9936  0.0142 -4.0309 3  470.8919101  72503 303502130      492129        s-trans-Propenoic acid
  384537.9994  0.0142 -4.0309 3  470.8919101  72503 303502129      492128        s-trans-Propenoic acid
  384541.6056  0.1039 -5.3750 3  846.4649103  72503 3035145 6      5045 5        s-trans-Propenoic acid
  384541.6056  0.1039 -5.3750 3  846.4649103  72503 3035145 7      5045 6        s-trans-Propenoic acid
  384678.4041  0.0989 -5.2696 3  825.9756103  72503 3035144 7      5044 6        s-trans-Propenoic acid
  384678.4041  0.0989 -5.2696 3  825.9756103  72503 3035144 8      5044 7        s-trans-Propenoic acid
  384693.3707  0.0039 -3.8426 3  400.5798 99  72503 303491337      481336        s-trans-Propenoic acid
  384780.5299  0.0045 -3.8496 3  414.2968103  72503 303511141      501140        s-trans-Propenoic acid
  384820.3373  0.0941 -5.1742 3  805.9481103  72503 3035143 8      5043 7        s-trans-Propenoic acid
  384820.3373  0.0941 -5.1742 3  805.9481103  72503 3035143 9      5043 8        s-trans-Propenoic acid
  384837.1183  0.0386 -5.9089 3  451.1601103  72503 303511734      511537        s-trans-Propenoic acid
  384930.3307  0.1119 -5.0825 3  718.1754123  72503 303612932      612833        s-trans-Propenoic acid
  384930.3307  0.1119 -5.0825 3  718.1754123  72503 303612933      612834        s-trans-Propenoic acid
  384968.0145  0.0894 -5.0866 3  786.3828103  72503 3035142 9      5042 8        s-trans-Propenoic acid
  384968.0145  0.0894 -5.0866 3  786.3828103  72503 303514210      5042 9        s-trans-Propenoic acid
  384979.3908  0.0046 -3.8491 3  414.2810103  72503 303511041      501040        s-trans-Propenoic acid
  385009.7642  0.0129 -4.7738 3  426.4736103  72503 303511239      501338        s-trans-Propenoic acid
  385122.1218  0.0847 -5.0054 3  767.2801103  72503 303514110      5041 9        s-trans-Propenoic acid
  385122.1218  0.0847 -5.0054 3  767.2801103  72503 303514111      504110        s-trans-Propenoic acid
  385123.2074  0.2790 -5.5446 3 1016.0399155  72503 303773047      772948        s-trans-Propenoic acid
  385123.2176  0.2790 -5.5446 3 1016.0399155  72503 303773048      772949        s-trans-Propenoic acid
  385123.6288  0.0273 -5.2555 3  621.1771139  72503 30369 564      69 465        s-trans-Propenoic acid
  385123.6288  0.0273 -5.6896 3  621.1771139  72503 30369 564      69 565        s-trans-Propenoic acid
  385123.6288  0.0273 -5.6896 3  621.1771139  72503 30369 664      69 465        s-trans-Propenoic acid
  385123.6288  0.0273 -5.2555 3  621.1771139  72503 30369 664      69 565        s-trans-Propenoic acid
  385212.2437  0.0513 -5.5000 3  920.4909163  72503 303811269      811170        s-trans-Propenoic acid
  385212.2437  0.0513 -5.9951 3  920.4909163  72503 303811269      811270        s-trans-Propenoic acid
  385212.2441  0.0513 -5.9951 3  920.4909163  72503 303811369      811170        s-trans-Propenoic acid
  385212.2441  0.0513 -5.5000 3  920.4909163  72503 303811369      811270        s-trans-Propenoic acid
  385254.5213  0.0047 -4.5492 3  414.2810103  72503 303511141      501040        s-trans-Propenoic acid
  385283.4347  0.0802 -4.9296 3  748.6404103  72503 303514011      504010        s-trans-Propenoic acid
  385283.4347  0.0802 -4.9296 3  748.6404103  72503 303514012      504011        s-trans-Propenoic acid
  385452.8325  0.0758 -4.8584 3  730.4643103  72503 303513912      503911        s-trans-Propenoic acid
  385452.8325  0.0758 -4.8584 3  730.4643103  72503 303513913      503912        s-trans-Propenoic acid
  385524.7451  0.0121 -4.0012 3  461.7787101  72503 303502031      492030        s-trans-Propenoic acid
  385524.8309  0.0121 -4.0012 3  461.7787101  72503 303502030      492029        s-trans-Propenoic acid
  385578.1603  0.1074 -5.0611 3  702.6020121  72503 303602931      602832        s-trans-Propenoic acid
  385578.1603  0.1074 -5.0611 3  702.6020121  72503 303602932      602833        s-trans-Propenoic acid
  385631.3157  0.0716 -4.7912 3  712.7522103  72503 303513813      503812        s-trans-Propenoic acid
  385631.3157  0.0716 -4.7912 3  712.7522103  72503 303513814      503813        s-trans-Propenoic acid
  385655.5327  0.0316 -5.3015 3  741.1875149  72503 30374 866      74 767        s-trans-Propenoic acid
  385655.5327  0.0316 -5.7606 3  741.1875149  72503 30374 866      74 867        s-trans-Propenoic acid
  385655.5327  0.0316 -5.7606 3  741.1875149  72503 30374 966      74 767        s-trans-Propenoic acid
  385655.5327  0.0316 -5.3015 3  741.1875149  72503 30374 966      74 867        s-trans-Propenoic acid
  385718.6101  0.0041 -3.8443 3  407.7644101  72503 303501239      491238        s-trans-Propenoic acid
  385722.3255  0.0049 -3.8722 3  411.7187 99  72503 303491535      481534        s-trans-Propenoic acid
  385799.5259  0.1817 -6.0124 3 1253.2828187  72503 303931875      931776        s-trans-Propenoic acid
  385800.3865  0.1817 -6.0124 3 1253.2828187  72503 303931975      931876        s-trans-Propenoic acid
  385807.7542  0.0311 -5.6617 3  483.1659127  72503 30363 162      63 063        s-trans-Propenoic acid
  385807.7542  0.0311 -6.0649 3  483.1659127  72503 30363 162      63 163        s-trans-Propenoic acid
  385807.7542  0.0311 -6.0649 3  483.1659127  72503 30363 262      63 063        s-trans-Propenoic acid
  385807.7542  0.0311 -5.6617 3  483.1659127  72503 30363 262      63 163        s-trans-Propenoic acid
  385820.0274  0.0674 -4.7276 3  695.5047103  72503 303513714      503713        s-trans-Propenoic acid
  385820.0274  0.0674 -4.7276 3  695.5047103  72503 303513715      503714        s-trans-Propenoic acid
  385831.5121  0.0270 -5.3272 3  550.6235133  72503 30366 363      66 264        s-trans-Propenoic acid
  385831.5121  0.0270 -5.7455 3  550.6235133  72503 30366 363      66 364        s-trans-Propenoic acid
  385831.5121  0.0270 -5.7455 3  550.6235133  72503 30366 463      66 264        s-trans-Propenoic acid
  385831.5121  0.0270 -5.3272 3  550.6235133  72503 30366 463      66 364        s-trans-Propenoic acid
  385947.7807  0.0065 -5.3422 3  145.9978 53  72503 30326 620      25 521        s-trans-Propenoic acid
  385958.7057  0.0074 -3.8383 3  393.8129 97  72503 303481434      471433        s-trans-Propenoic acid
  385969.4943  0.0365 -5.9091 3  424.8094 99  72503 303491733      491534        s-trans-Propenoic acid
  386017.8557  0.0475 -6.0258 3  537.2079115  72503 303571740      571543        s-trans-Propenoic acid
  386020.2786  0.0633 -4.6672 3  678.7224103  72503 303513615      503614        s-trans-Propenoic acid
  386020.2786  0.0633 -4.6672 3  678.7224103  72503 303513616      503615        s-trans-Propenoic acid
  386045.6609  0.0039 -5.6278 3  143.2037 51  72503 30325 818      24 619        s-trans-Propenoic acid
  386053.9944  0.0634 -6.0763 3  972.7787167  72503 303831370      831371        s-trans-Propenoic acid
  386053.9945  0.0634 -5.5720 3  972.7787167  72503 303831370      831271        s-trans-Propenoic acid
  386053.9961  0.0634 -5.5720 3  972.7787167  72503 303831470      831371        s-trans-Propenoic acid
  386053.9962  0.0634 -6.0763 3  972.7787167  72503 303831470      831271        s-trans-Propenoic acid
  386173.2555  0.0167 -4.1501 3  167.9589 39  72503 3031918 1      1817 2        s-trans-Propenoic acid
  386173.2555  0.0167 -4.1501 3  167.9589 39  72503 3031918 2      1817 1        s-trans-Propenoic acid
  386192.9799  0.1033 -5.0407 3  687.2929119  72503 303592930      592831        s-trans-Propenoic acid
  386192.9799  0.1033 -5.0407 3  687.2929119  72503 303592931      592832        s-trans-Propenoic acid
  386233.5797  0.0594 -4.6097 3  662.4061103  72503 303513516      503515        s-trans-Propenoic acid
  386233.5797  0.0594 -4.6097 3  662.4061103  72503 303513517      503516        s-trans-Propenoic acid
  386296.0137  0.0149 -5.9103 3  323.4478 83  72503 303411626      411427        s-trans-Propenoic acid
  386401.8692  0.2636 -5.5097 3  996.2062153  72503 303763046      762947        s-trans-Propenoic acid
  386401.8740  0.2636 -5.5097 3  996.2062153  72503 303763047      762948        s-trans-Propenoic acid
  386409.3356  0.0039 -5.7246 3  134.1406 47  72503 30323 915      22 716        s-trans-Propenoic acid
  386426.1892  0.5014 -5.9350 3 1241.8339175  72503 303873156      873057        s-trans-Propenoic acid
  386427.1136  0.5014 -5.9350 3 1241.8339175  72503 303873157      873058        s-trans-Propenoic acid
  386461.6795  0.0555 -4.5549 3  646.5566103  72503 303513417      503416        s-trans-Propenoic acid
  386461.6795  0.0555 -4.5549 3  646.5566103  72503 303513418      503417        s-trans-Propenoic acid
  386514.2364  0.1494 -5.9144 3 1194.6643183  72503 303911774      911675        s-trans-Propenoic acid
  386514.5032  0.1494 -5.9144 3 1194.6643183  72503 303911874      911775        s-trans-Propenoic acid
  386522.8909  0.0102 -4.6737 3  369.7688 95  72503 303471236      461135        s-trans-Propenoic acid
  386552.1584  0.0064 -5.7027 3  145.9777 53  72503 30326 620      25 421        s-trans-Propenoic acid
  386622.6097  0.0790 -5.6497 3 1026.3470171  72503 303851471      851372        s-trans-Propenoic acid
  386622.6158  0.0790 -5.6497 3 1026.3470171  72503 303851571      851472        s-trans-Propenoic acid
  386649.5697  0.0089 -4.6577 3  382.2095 97  72503 303481237      471136        s-trans-Propenoic acid
  386693.7909  0.0044 -3.8529 3  405.9825 99  72503 303491436      481435        s-trans-Propenoic acid
  386706.6126  0.0518 -4.5027 3  631.1748103  72503 303513318      503317        s-trans-Propenoic acid
  386706.6126  0.0518 -4.5027 3  631.1748103  72503 303513319      503318        s-trans-Propenoic acid
  386708.8948  0.0101 -3.9726 3  453.1925101  72503 303501932      491931        s-trans-Propenoic acid
  386709.9823  0.0101 -3.9726 3  453.1925101  72503 303501931      491930        s-trans-Propenoic acid
  386776.2207  0.0998 -5.0212 3  672.2474117  72503 303582929      582830        s-trans-Propenoic acid
  386776.2207  0.0998 -5.0212 3  672.2474117  72503 303582930      582831        s-trans-Propenoic acid
  386843.8597  0.0147 -5.9092 3  323.4297 83  72503 303411625      411428        s-trans-Propenoic acid
  386873.0665  0.1217 -5.8212 3 1137.2971179  72503 303891673      891574        s-trans-Propenoic acid
  386873.1456  0.1217 -5.8212 3 1137.2971179  72503 303891773      891674        s-trans-Propenoic acid
  386901.8873  0.0984 -5.7329 3 1081.1889175  72503 303871572      871473        s-trans-Propenoic acid
  386901.9097  0.0984 -5.7329 3 1081.1889175  72503 303871672      871573        s-trans-Propenoic acid
  386970.7602  0.0481 -4.4527 3  616.2616103  72503 303513219      503218        s-trans-Propenoic acid
  386970.7602  0.0481 -4.4527 3  616.2616103  72503 303513220      503219        s-trans-Propenoic acid
  387254.1088  0.0047 -5.5135 3  136.6596 49  72503 30324 817      23 518        s-trans-Propenoic acid
  387256.9265  0.0446 -4.4050 3  601.8184103  72503 303513120      503119        s-trans-Propenoic acid
  387256.9265  0.0446 -4.4050 3  601.8184103  72503 303513121      503120        s-trans-Propenoic acid
  387304.7817  0.1857 -5.5852 3  693.3050133  72503 303661848      651947        s-trans-Propenoic acid
  387329.2459  0.0967 -5.0027 3  657.4652115  72503 303572928      572829        s-trans-Propenoic acid
  387329.2459  0.0967 -5.0027 3  657.4652115  72503 303572929      572830        s-trans-Propenoic acid
  387409.8885  0.0129 -4.1807 3  170.1834 43  72503 3032117 4      2016 5        s-trans-Propenoic acid
  387409.8885  0.0129 -4.1807 3  170.1834 43  72503 3032117 5      2016 4        s-trans-Propenoic acid
  387487.9324  0.0358 -5.7851 3  386.2902 95  72503 303471532      471235        s-trans-Propenoic acid
  387491.8551  0.0349 -5.3459 3  788.9096153  72503 30376 967      76 868        s-trans-Propenoic acid
  387491.8551  0.0349 -5.8133 3  788.9096153  72503 30376 967      76 968        s-trans-Propenoic acid
  387491.8551  0.0349 -5.8133 3  788.9096153  72503 303761067      76 868        s-trans-Propenoic acid
  387491.8551  0.0349 -5.3459 3  788.9096153  72503 303761067      76 968        s-trans-Propenoic acid
  387568.4364  0.0412 -4.3594 3  587.8464103  72503 303513021      503020        s-trans-Propenoic acid
  387568.4364  0.0412 -4.3594 3  587.8464103  72503 303513022      503021        s-trans-Propenoic acid
  387592.1073  0.0297 -5.2639 3  665.5624143  72503 30371 665      71 566        s-trans-Propenoic acid
  387592.1073  0.0297 -5.7058 3  665.5624143  72503 30371 665      71 666        s-trans-Propenoic acid
  387592.1073  0.0297 -5.7058 3  665.5624143  72503 30371 765      71 566        s-trans-Propenoic acid
  387592.1073  0.0297 -5.2639 3  665.5624143  72503 30371 765      71 666        s-trans-Propenoic acid
  387619.8533  0.2489 -5.4756 3  976.6449151  72503 303753045      752946        s-trans-Propenoic acid
  387619.8556  0.2489 -5.4756 3  976.6449151  72503 303753046      752947        s-trans-Propenoic acid
  387851.2466  0.0045 -3.8389 3  407.5734101  72503 303501139      491138        s-trans-Propenoic acid
  387853.3562  0.0940 -4.9853 3  642.9458113  72503 303562927      562828        s-trans-Propenoic acid
  387853.3562  0.0940 -4.9853 3  642.9458113  72503 303562928      562829        s-trans-Propenoic acid
  387909.2625  0.0379 -4.3157 3  574.3474103  72503 303512922      502921        s-trans-Propenoic acid
  387909.2625  0.0379 -4.3157 3  574.3474103  72503 303512923      502922        s-trans-Propenoic acid
  388063.8156  0.0084 -6.0467 3  234.6495 71  72503 303351125      35 828        s-trans-Propenoic acid
  388145.8938  0.0044 -5.7080 3  139.8564 51  72503 30325 719      24 520        s-trans-Propenoic acid
  388160.1021  0.0084 -3.9452 3  445.1520101  72503 303501833      491832        s-trans-Propenoic acid
  388171.8661  0.0084 -3.9452 3  445.1523101  72503 303501832      491831        s-trans-Propenoic acid
  388192.1647  0.0113 -4.6887 3  357.4861 93  72503 303461235      451134        s-trans-Propenoic acid
  388254.7826  0.4750 -5.8922 3 1219.2961173  72503 303863155      863056        s-trans-Propenoic acid
  388255.2646  0.4750 -5.8922 3 1219.2960173  72503 303863156      863057        s-trans-Propenoic acid
  388284.1927  0.0347 -4.2739 3  561.3231103  72503 303512823      502822        s-trans-Propenoic acid
  388284.1927  0.0347 -4.2739 3  561.3231103  72503 303512824      502823        s-trans-Propenoic acid
  388349.7938  0.0917 -4.9689 3  628.6886111  72503 303552926      552827        s-trans-Propenoic acid
  388349.7938  0.0917 -4.9689 3  628.6886111  72503 303552927      552828        s-trans-Propenoic acid
  388392.0697  0.0078 -4.6423 3  394.8090 99  72503 303491238      481137        s-trans-Propenoic acid
  388400.1006  0.0062 -3.8664 3  411.8538 99  72503 303491534      481533        s-trans-Propenoic acid
  388601.1816  0.0097 -4.2136 3  173.9160 47  72503 3032316 7      2215 8        s-trans-Propenoic acid
  388601.1816  0.0097 -4.2136 3  173.9160 47  72503 3032316 8      2215 7        s-trans-Propenoic acid
  388681.8567  0.0286 -5.2850 3  592.9607137  72503 30368 464      68 365        s-trans-Propenoic acid
  388681.8567  0.0286 -5.7108 3  592.9607137  72503 30368 464      68 465        s-trans-Propenoic acid
  388681.8567  0.0286 -5.7108 3  592.9607137  72503 30368 564      68 365        s-trans-Propenoic acid
  388681.8567  0.0286 -5.2850 3  592.9607137  72503 30368 564      68 465        s-trans-Propenoic acid
  388699.0535  0.0316 -4.2339 3  548.7760103  72503 303512724      502723        s-trans-Propenoic acid
  388699.0535  0.0316 -4.2339 3  548.7760103  72503 303512725      502724        s-trans-Propenoic acid
  388714.8770  0.0355 -5.9016 3  437.7333101  72503 303501733      501536        s-trans-Propenoic acid
  388741.9505  0.0042 -5.2892 3  183.7705 61  72503 30330 921      29 722        s-trans-Propenoic acid
  388780.2067  0.2352 -5.4424 3  957.3553149  72503 303743044      742945        s-trans-Propenoic acid
  388780.2078  0.2352 -5.4424 3  957.3553149  72503 303743045      742946        s-trans-Propenoic acid
  388819.7465  0.0897 -4.9536 3  614.6934109  72503 303542925      542826        s-trans-Propenoic acid
  388819.7465  0.0897 -4.9536 3  614.6934109  72503 303542926      542827        s-trans-Propenoic acid
  388925.9338  0.0097 -3.8337 3  455.4613121  72503 30360 258      59 257        s-trans-Propenoic acid
  388925.9338  0.0097 -4.2517 3  455.4613121  72503 30360 258      59 357        s-trans-Propenoic acid
  388925.9338  0.0097 -4.2517 3  455.4613121  72503 30360 358      59 257        s-trans-Propenoic acid
  388925.9338  0.0097 -3.8337 3  455.4613121  72503 30360 358      59 357        s-trans-Propenoic acid
  388926.4736  0.0114 -3.8258 3  456.4940123  72503 30361 160      60 159        s-trans-Propenoic acid
  388926.4736  0.0114 -4.2267 3  456.4940123  72503 30361 160      60 259        s-trans-Propenoic acid
  388926.4736  0.0114 -4.2267 3  456.4940123  72503 30361 260      60 159        s-trans-Propenoic acid
  388926.4736  0.0114 -3.8258 3  456.4940123  72503 30361 260      60 259        s-trans-Propenoic acid
  388930.1707  0.0141 -3.8169 3  457.0121125  72503 30362 062      61 061        s-trans-Propenoic acid
  388930.1707  0.0141 -4.2023 3  457.0121125  72503 30362 062      61 161        s-trans-Propenoic acid
  388930.1707  0.0141 -4.2023 3  457.0121125  72503 30362 162      61 061        s-trans-Propenoic acid
  388930.1707  0.0141 -3.8169 3  457.0121125  72503 30362 162      61 161        s-trans-Propenoic acid
  388934.0128  0.0087 -3.8407 3  453.9068119  72503 30359 356      58 355        s-trans-Propenoic acid
  388934.0128  0.0087 -4.2776 3  453.9068119  72503 30359 356      58 455        s-trans-Propenoic acid
  388934.0128  0.0087 -4.2776 3  453.9068119  72503 30359 456      58 355        s-trans-Propenoic acid
  388934.0128  0.0087 -3.8407 3  453.9068119  72503 30359 456      58 455        s-trans-Propenoic acid
  388958.5607  0.0081 -3.8466 3  451.8212117  72503 30358 454      57 453        s-trans-Propenoic acid
  388958.5607  0.0081 -4.3048 3  451.8212117  72503 30358 454      57 553        s-trans-Propenoic acid
  388958.5607  0.0081 -4.3048 3  451.8212117  72503 30358 554      57 453        s-trans-Propenoic acid
  388958.5607  0.0081 -3.8466 3  451.8212117  72503 30358 554      57 553        s-trans-Propenoic acid
  389010.2012  0.0301 -5.4386 3  523.4316131  72503 30365 263      65 164        s-trans-Propenoic acid
  389010.2012  0.0301 -5.8491 3  523.4316131  72503 30365 263      65 264        s-trans-Propenoic acid
  389010.2012  0.0301 -5.8491 3  523.4316131  72503 30365 363      65 164        s-trans-Propenoic acid
  389010.2012  0.0301 -5.4386 3  523.4316131  72503 30365 363      65 264        s-trans-Propenoic acid
  389011.1098  0.0076 -3.8514 3  449.1929115  72503 30357 552      56 551        s-trans-Propenoic acid
  389011.1098  0.0076 -4.3336 3  449.1929115  72503 30357 552      56 651        s-trans-Propenoic acid
  389011.1098  0.0076 -4.3336 3  449.1929115  72503 30357 652      56 551        s-trans-Propenoic acid
  389011.1098  0.0076 -3.8514 3  449.1929115  72503 30357 652      56 651        s-trans-Propenoic acid
  389106.8798  0.0394 -5.3988 3  837.9387157  72503 303781068      78 969        s-trans-Propenoic acid
  389106.8798  0.0394 -5.8746 3  837.9387157  72503 303781068      781069        s-trans-Propenoic acid
  389106.8798  0.0394 -5.8746 3  837.9387157  72503 303781168      78 969        s-trans-Propenoic acid
  389106.8798  0.0394 -5.3988 3  837.9387157  72503 303781168      781069        s-trans-Propenoic acid
  389109.0929  0.0071 -4.3649 3  446.0067113  72503 30356 650      55 749        s-trans-Propenoic acid
  389109.0931  0.0071 -3.8551 3  446.0067113  72503 30356 750      55 749        s-trans-Propenoic acid
  389109.0934  0.0071 -3.8551 3  446.0067113  72503 30356 650      55 649        s-trans-Propenoic acid
  389109.0936  0.0071 -4.3649 3  446.0067113  72503 30356 750      55 649        s-trans-Propenoic acid
  389123.3645  0.0273 -4.9062 3  459.1114107  72503 303531340      521439        s-trans-Propenoic acid
  389161.0154  0.0286 -4.1956 3  536.7087103  72503 303512625      502624        s-trans-Propenoic acid
  389161.0154  0.0286 -4.1956 3  536.7087103  72503 303512626      502625        s-trans-Propenoic acid
  389211.6153  0.0043 -5.3635 3  139.8208 51  72503 30325 719      24 420        s-trans-Propenoic acid
  389238.9337  0.0311 -5.7596 3  420.5107101  72503 303501436      501139        s-trans-Propenoic acid
  389264.3518  0.0881 -4.9395 3  600.9596107  72503 303532924      532825        s-trans-Propenoic acid
  389264.3518  0.0881 -4.9395 3  600.9596107  72503 303532925      532826        s-trans-Propenoic acid
  389279.8910  0.0066 -4.3994 3  442.2424111  72503 30355 748      54 847        s-trans-Propenoic acid
  389279.9003  0.0066 -3.8575 3  442.2424111  72503 30355 848      54 847        s-trans-Propenoic acid
  389279.9094  0.0066 -3.8575 3  442.2424111  72503 30355 748      54 747        s-trans-Propenoic acid
  389279.9187  0.0066 -4.3994 3  442.2424111  72503 30355 848      54 747        s-trans-Propenoic acid
  389557.4036  0.0142 -5.9213 3  312.7732 81  72503 303401625      401426        s-trans-Propenoic acid
  389568.5252  0.0061 -4.4385 3  437.8721109  72503 30354 846      53 945        s-trans-Propenoic acid
  389568.8391  0.0061 -3.8583 3  437.8721109  72503 30354 946      53 945        s-trans-Propenoic acid
  389569.1247  0.0061 -3.8583 3  437.8721109  72503 30354 846      53 845        s-trans-Propenoic acid
  389569.4386  0.0061 -4.4385 3  437.8721109  72503 30354 946      53 845        s-trans-Propenoic acid
  389671.3219  0.0045 -4.6296 3  420.6306103  72503 303511140      501239        s-trans-Propenoic acid
  389679.0182  0.0257 -4.1590 3  525.1245103  72503 303512526      502525        s-trans-Propenoic acid
  389679.0182  0.0257 -4.1590 3  525.1245103  72503 303512527      502526        s-trans-Propenoic acid
  389681.7931  0.0071 -4.2505 3  179.1782 51  72503 303251511      241410        s-trans-Propenoic acid
  389681.7933  0.0071 -4.2505 3  179.1782 51  72503 303251510      241411        s-trans-Propenoic acid
  389684.6999  0.0868 -4.9266 3  587.4869105  72503 303522923      522824        s-trans-Propenoic acid
  389684.6999  0.0868 -4.9266 3  587.4869105  72503 303522924      522825        s-trans-Propenoic acid
  389796.3173  0.0030 -4.4223 3  204.6222 63  72503 303311220      301119        s-trans-Propenoic acid
  389846.8569  0.0142 -5.9207 3  312.7636 81  72503 303401624      401427        s-trans-Propenoic acid
  389853.6496  0.0040 -6.0169 3  116.2349 39  72503 3031910 9      18 810        s-trans-Propenoic acid
  389864.6979  0.0323 -5.2876 3  711.2733147  72503 30373 766      73 667        s-trans-Propenoic acid
  389864.6979  0.0323 -5.7374 3  711.2733147  72503 30373 766      73 767        s-trans-Propenoic acid
  389864.6979  0.0323 -5.7374 3  711.2733147  72503 30373 866      73 667        s-trans-Propenoic acid
  389864.6979  0.0323 -5.2876 3  711.2733147  72503 30373 866      73 767        s-trans-Propenoic acid
  389885.7607  0.2222 -5.4100 3  938.3366147  72503 303733043      732944        s-trans-Propenoic acid
  389885.7612  0.2222 -5.4100 3  938.3366147  72503 303733044      732945        s-trans-Propenoic acid
  389914.8542  0.0040 -6.0168 3  116.2328 39  72503 303191010      18 811        s-trans-Propenoic acid
  389932.4918  0.0038 -3.8048 3  386.2902 97  72503 303481236      471235        s-trans-Propenoic acid
  389967.5179  0.0069 -3.9187 3  437.6840101  72503 303501734      491733        s-trans-Propenoic acid
  389994.7292  0.4499 -5.8503 3 1197.0370171  72503 303853154      853055        s-trans-Propenoic acid
  389994.9776  0.4499 -5.8503 3 1197.0370171  72503 303853155      853056        s-trans-Propenoic acid
  390046.4833  0.0056 -4.4846 3  432.8553107  72503 30353 944      521043        s-trans-Propenoic acid
  390054.6025  0.0056 -3.8574 3  432.8553107  72503 303531044      521043        s-trans-Propenoic acid
  390061.3600  0.0056 -3.8574 3  432.8548107  72503 30353 944      52 943        s-trans-Propenoic acid
  390069.4791  0.0056 -4.4845 3  432.8548107  72503 303531044      52 943        s-trans-Propenoic acid
  390073.7717  0.0069 -3.9185 3  437.6880101  72503 303501733      491732        s-trans-Propenoic acid
  390081.8367  0.0857 -4.9149 3  574.2749103  72503 303512922      512823        s-trans-Propenoic acid
  390081.8367  0.0857 -4.9149 3  574.2749103  72503 303512923      512824        s-trans-Propenoic acid
  390190.2524  0.0030 -4.4216 3  204.6111 63  72503 303311219      301120        s-trans-Propenoic acid
  390264.3786  0.0229 -4.1240 3  514.0275103  72503 303512427      502426        s-trans-Propenoic acid
  390264.3786  0.0229 -4.1240 3  514.0275103  72503 303512428      502427        s-trans-Propenoic acid
  390456.7668  0.0849 -4.9045 3  561.3231101  72503 303502921      502822        s-trans-Propenoic acid
  390456.7668  0.0849 -4.9045 3  561.3231101  72503 303502922      502823        s-trans-Propenoic acid
  390491.5403  0.0459 -5.4592 3  888.2688161  72503 303801169      801070        s-trans-Propenoic acid
  390491.5403  0.0459 -5.9436 3  888.2688161  72503 303801169      801170        s-trans-Propenoic acid
  390491.5404  0.0459 -5.9436 3  888.2688161  72503 303801269      801070        s-trans-Propenoic acid
  390491.5404  0.0459 -5.4592 3  888.2688161  72503 303801269      801170        s-trans-Propenoic acid
  390521.2820  0.0051 -4.2941 3  186.0039 55  72503 303271414      261313        s-trans-Propenoic acid
  390521.3268  0.0051 -4.2941 3  186.0039 55  72503 303271413      261314        s-trans-Propenoic acid
  390697.8730  0.0050 -4.5427 3  427.1317105  72503 303521042      511141        s-trans-Propenoic acid
  390724.7116  0.0430 -5.6908 3  486.4894109  72503 303541638      541341        s-trans-Propenoic acid
  390810.4560  0.0843 -4.8954 3  548.6313 99  72503 303492920      492821        s-trans-Propenoic acid
  390810.4560  0.0843 -4.8954 3  548.6313 99  72503 303492921      492822        s-trans-Propenoic acid
  390842.3862  0.0037 -4.3483 3  194.4494 59  72503 303291317      281216        s-trans-Propenoic acid
  390848.5900  0.0037 -4.3483 3  194.4492 59  72503 303291316      281217        s-trans-Propenoic acid
  390855.8624  0.0051 -3.8542 3  427.1317105  72503 303521142      511141        s-trans-Propenoic acid
  390931.6867  0.0203 -4.0904 3  503.4230103  72503 303512329      502328        s-trans-Propenoic acid
  390931.6868  0.0203 -4.0904 3  503.4230103  72503 303512328      502327        s-trans-Propenoic acid
  390939.1534  0.2100 -5.3784 3  919.5882145  72503 303723042      722943        s-trans-Propenoic acid
  390939.1536  0.2100 -5.3784 3  919.5882145  72503 303723043      722944        s-trans-Propenoic acid
  390973.0034  0.0051 -3.8539 3  427.1225105  72503 303521042      511041        s-trans-Propenoic acid
  391130.9929  0.0052 -4.5417 3  427.1225105  72503 303521142      511041        s-trans-Propenoic acid
  391143.8333  0.0838 -4.8878 3  536.1989 97  72503 303482919      482820        s-trans-Propenoic acid
  391143.8333  0.0838 -4.8878 3  536.1989 97  72503 303482920      482821        s-trans-Propenoic acid
  391180.3135  0.0491 -5.7026 3  472.0911107  72503 303531637      531340        s-trans-Propenoic acid
  391281.7798  0.0030 -4.5363 3  216.5918 67  72503 303331122      321023        s-trans-Propenoic acid
  391309.9406  0.2343 -5.6981 3  753.7592139  72503 303691950      682049        s-trans-Propenoic acid
  391349.9431  0.0308 -5.2739 3  636.6355141  72503 30370 565      70 466        s-trans-Propenoic acid
  391349.9431  0.0308 -5.7074 3  636.6355141  72503 30370 565      70 566        s-trans-Propenoic acid
  391349.9431  0.0308 -5.7074 3  636.6355141  72503 30370 665      70 466        s-trans-Propenoic acid
  391349.9431  0.0308 -5.2739 3  636.6355141  72503 30370 665      70 566        s-trans-Propenoic acid
  391443.9704  0.0070 -4.6282 3  407.5734101  72503 303501239      491138        s-trans-Propenoic acid
  391457.7933  0.0836 -4.8818 3  524.0257 95  72503 303472918      472819        s-trans-Propenoic acid
  391457.7933  0.0836 -4.8818 3  524.0257 95  72503 303472919      472820        s-trans-Propenoic acid
  391582.8817  0.0041 -3.8447 3  413.4118101  72503 303501338      491337        s-trans-Propenoic acid
  391605.9055  0.0121 -4.7001 3  345.3697 91  72503 303451234      441133        s-trans-Propenoic acid
  391615.2034  0.1346 -5.8538 3  945.8438105  72503 3035249 3      5149 2        s-trans-Propenoic acid
  391615.2034  0.1346 -5.8538 3  945.8438105  72503 3035249 4      5149 3        s-trans-Propenoic acid
  391635.6034  0.0551 -5.5263 3  939.8933165  72503 303821270      821171        s-trans-Propenoic acid
  391635.6034  0.0551 -6.0195 3  939.8933165  72503 303821270      821271        s-trans-Propenoic acid
  391635.6036  0.0551 -6.0195 3  939.8933165  72503 303821370      821171        s-trans-Propenoic acid
  391635.6036  0.0551 -5.5263 3  939.8933165  72503 303821370      821271        s-trans-Propenoic acid
  391651.3438  0.4261 -5.8093 3 1175.0556169  72503 303843153      843054        s-trans-Propenoic acid
  391651.4703  0.4261 -5.8093 3 1175.0556169  72503 303843154      843055        s-trans-Propenoic acid
  391700.1779  0.0177 -4.0584 3  493.3172103  72503 303512230      502229        s-trans-Propenoic acid
  391700.1788  0.0177 -4.0584 3  493.3172103  72503 303512229      502228        s-trans-Propenoic acid
  391741.4679  0.1288 -5.6864 3  923.5145105  72503 3035248 4      5148 3        s-trans-Propenoic acid
  391741.4679  0.1288 -5.6864 3  923.5145105  72503 3035248 5      5148 4        s-trans-Propenoic acid
  391753.1976  0.0834 -4.8774 3  512.1114 93  72503 303462917      462818        s-trans-Propenoic acid
  391753.1976  0.0834 -4.8774 3  512.1114 93  72503 303462918      462819        s-trans-Propenoic acid
  391871.2614  0.1231 -5.5480 3  901.6459105  72503 3035247 5      5147 4        s-trans-Propenoic acid
  391871.2614  0.1231 -5.5480 3  901.6459105  72503 3035247 6      5147 5        s-trans-Propenoic acid
  391884.4247  0.0045 -3.8486 3  420.6306103  72503 303511240      501239        s-trans-Propenoic acid
  391935.2563  0.0351 -5.3233 3  758.3039151  72503 30375 867      75 768        s-trans-Propenoic acid
  391935.2563  0.0351 -5.7812 3  758.3039151  72503 30375 867      75 868        s-trans-Propenoic acid
  391935.2563  0.0351 -5.7812 3  758.3039151  72503 30375 967      75 768        s-trans-Propenoic acid
  391935.2563  0.0351 -5.3233 3  758.3039151  72503 30375 967      75 868        s-trans-Propenoic acid
  391942.8488  0.1986 -5.3477 3  901.1093143  72503 303713041      712942        s-trans-Propenoic acid
  391942.8489  0.1986 -5.3477 3  901.1093143  72503 303713042      712943        s-trans-Propenoic acid
  392004.9971  0.1175 -5.4284 3  880.2382105  72503 3035246 6      5146 5        s-trans-Propenoic acid
  392004.9971  0.1175 -5.4284 3  880.2382105  72503 3035246 7      5146 6        s-trans-Propenoic acid
  392011.7756  0.0044 -4.6958 3  212.6071 67  72503 303331023      32 924        s-trans-Propenoic acid
  392013.9559  0.0348 -5.6759 3  496.5536129  72503 30364 163      64 064        s-trans-Propenoic acid
  392013.9559  0.0348 -5.6759 3  496.5536129  72503 30364 263      64 164        s-trans-Propenoic acid
  392030.8774  0.0834 -4.8747 3  500.4555 91  72503 303452916      452817        s-trans-Propenoic acid
  392030.8774  0.0834 -4.8747 3  500.4555 91  72503 303452917      452818        s-trans-Propenoic acid
  392041.3335  0.0306 -5.3436 3  565.0465135  72503 30367 364      67 265        s-trans-Propenoic acid
  392041.3335  0.0306 -5.7614 3  565.0465135  72503 30367 364      67 365        s-trans-Propenoic acid
  392041.3335  0.0306 -5.7614 3  565.0465135  72503 30367 464      67 265        s-trans-Propenoic acid
  392041.3335  0.0306 -5.3436 3  565.0465135  72503 30367 464      67 365        s-trans-Propenoic acid
  392070.8262  0.0071 -5.2013 3  162.8689 57  72503 30328 721      27 622        s-trans-Propenoic acid
  392139.7861  0.0059 -3.8932 3  430.8227101  72503 303501635      491634        s-trans-Propenoic acid
  392143.1349  0.1121 -5.3220 3  859.2919105  72503 3035245 7      5145 6        s-trans-Propenoic acid
  392143.1349  0.1121 -5.3220 3  859.2919105  72503 3035245 8      5145 7        s-trans-Propenoic acid
  392286.1891  0.1067 -5.2255 3  838.8071105  72503 3035244 8      5144 7        s-trans-Propenoic acid
  392286.1891  0.1067 -5.2255 3  838.8071105  72503 3035244 9      5144 8        s-trans-Propenoic acid
  392291.6342  0.0834 -4.8740 3  489.0578 89  72503 303442915      442816        s-trans-Propenoic acid
  392291.6342  0.0834 -4.8740 3  489.0578 89  72503 303442916      442817        s-trans-Propenoic acid
  392434.7355  0.1015 -5.1369 3  818.7843105  72503 3035243 9      5143 8        s-trans-Propenoic acid
  392434.7355  0.1015 -5.1369 3  818.7843105  72503 303524310      5143 9        s-trans-Propenoic acid
  392449.3857  0.0139 -5.9350 3  302.3826 79  72503 303391624      391425        s-trans-Propenoic acid
  392527.4703  0.0675 -5.5995 3  992.8058169  72503 303841371      841272        s-trans-Propenoic acid
  392527.4711  0.0675 -5.5995 3  992.8058169  72503 303841471      841372        s-trans-Propenoic acid
  392536.2416  0.0836 -4.8754 3  477.9179 87  72503 303432914      432815        s-trans-Propenoic acid
  392536.2416  0.0836 -4.8754 3  477.9179 87  72503 303432915      432816        s-trans-Propenoic acid
  392589.4210  0.0964 -5.0546 3  799.2239105  72503 303524210      5142 9        s-trans-Propenoic acid
  392589.4210  0.0964 -5.0546 3  799.2239105  72503 303524211      514210        s-trans-Propenoic acid
  392595.9262  0.0153 -4.0277 3  483.7187103  72503 303512131      502130        s-trans-Propenoic acid
  392595.9395  0.0153 -4.0277 3  483.7187103  72503 303512130      502129        s-trans-Propenoic acid
  392598.3420  0.0138 -5.9347 3  302.3777 79  72503 303391623      391426        s-trans-Propenoic acid
  392665.2130  0.1891 -6.0458 3 1276.4493189  72503 303941876      941777        s-trans-Propenoic acid
  392665.6948  0.1891 -6.0458 3 1276.4493189  72503 303941976      941877        s-trans-Propenoic acid
  392750.9748  0.0914 -4.9778 3  780.1264105  72503 303524111      514110        s-trans-Propenoic acid
  392750.9748  0.0914 -4.9778 3  780.1264105  72503 303524112      514111        s-trans-Propenoic acid
  392765.4467  0.0838 -4.8792 3  467.0355 85  72503 303422913      422814        s-trans-Propenoic acid
  392765.4467  0.0838 -4.8792 3  467.0355 85  72503 303422914      422815        s-trans-Propenoic acid
  392815.6707  0.0324 -5.8964 3  424.5851 99  72503 303491732      491535        s-trans-Propenoic acid
  392838.4757  0.0317 -5.9010 3  411.8538 97  72503 303481732      481533        s-trans-Propenoic acid
  392899.1540  0.1879 -5.3179 3  882.8993141  72503 303703040      702941        s-trans-Propenoic acid
  392899.1540  0.1879 -5.3179 3  882.8993141  72503 303703041      702942        s-trans-Propenoic acid
  392911.5796  0.0061 -3.8916 3  430.8565101  72503 303501634      491633        s-trans-Propenoic acid
  392920.2209  0.0866 -4.9055 3  761.4921105  72503 303524012      514011        s-trans-Propenoic acid
  392920.2209  0.0866 -4.9055 3  761.4921105  72503 303524013      514012        s-trans-Propenoic acid
  392979.9712  0.0841 -4.8855 3  456.4103 83  72503 303412912      412813        s-trans-Propenoic acid
  392979.9712  0.0841 -4.8855 3  456.4103 83  72503 303412913      412814        s-trans-Propenoic acid
  393098.0939  0.0818 -4.8372 3  743.3216105  72503 303523913      513912        s-trans-Propenoic acid
  393098.0939  0.0818 -4.8372 3  743.3216105  72503 303523914      513913        s-trans-Propenoic acid
  393153.9305  0.0834 -5.6785 3 1046.9997173  72503 303861472      861373        s-trans-Propenoic acid
  393153.9336  0.0834 -5.6785 3 1046.9997173  72503 303861572      861473        s-trans-Propenoic acid
  393180.5125  0.0844 -4.8948 3  446.0420 81  72503 303402911      402812        s-trans-Propenoic acid
  393180.5125  0.0844 -4.8948 3  446.0420 81  72503 303402912      402813        s-trans-Propenoic acid
  393229.4446  0.4035 -5.7691 3 1153.3510167  72503 303833152      833053        s-trans-Propenoic acid
  393229.5081  0.4035 -5.7691 3 1153.3510167  72503 303833153      833054        s-trans-Propenoic acid
  393264.0456  0.0049 -3.8452 3  420.5107103  72503 303511140      501139        s-trans-Propenoic acid
  393277.5071  0.1558 -5.9467 3 1217.2004185  72503 303921775      921676        s-trans-Propenoic acid
  393277.6544  0.1559 -5.9467 3 1217.2004185  72503 303921875      921776        s-trans-Propenoic acid
  393285.6580  0.0772 -4.7726 3  725.6154105  72503 303523814      513813        s-trans-Propenoic acid
  393285.6580  0.0772 -4.7726 3  725.6154105  72503 303523815      513814        s-trans-Propenoic acid
  393367.7444  0.0847 -4.9075 3  435.9304 79  72503 303392910      392811        s-trans-Propenoic acid
  393367.7444  0.0847 -4.9075 3  435.9304 79  72503 303392911      392812        s-trans-Propenoic acid
  393381.4601  0.0068 -3.8049 3  389.6825 97  72503 303481335      471334        s-trans-Propenoic acid
  393405.6567  0.0039 -5.6721 3  140.1097 49  72503 30324 916      23 717        s-trans-Propenoic acid
  393484.1291  0.0727 -4.7111 3  708.3742105  72503 303523715      513714        s-trans-Propenoic acid
  393484.1291  0.0727 -4.7111 3  708.3742105  72503 303523716      513715        s-trans-Propenoic acid
  393499.8539  0.1033 -5.7629 3 1102.4682177  72503 303881573      881474        s-trans-Propenoic acid
  393499.8659  0.1033 -5.7629 3 1102.4682177  72503 303881673      881574        s-trans-Propenoic acid
  393542.3187  0.0851 -4.9242 3  426.0751 77  72503 3033829 9      382810        s-trans-Propenoic acid
  393542.3187  0.0851 -4.9242 3  426.0751 77  72503 303382910      382811        s-trans-Propenoic acid
  393547.7998  0.1274 -5.8523 3 1159.2042181  72503 303901674      901575        s-trans-Propenoic acid
  393547.8428  0.1274 -5.8523 3 1159.2042181  72503 303901774      901675        s-trans-Propenoic acid
  393655.5173  0.0130 -3.9983 3  474.6385103  72503 303512032      502031        s-trans-Propenoic acid
  393655.7022  0.0130 -3.9983 3  474.6385103  72503 303512031      502030        s-trans-Propenoic acid
  393694.9026  0.0683 -4.6526 3  691.5987105  72503 303523616      513615        s-trans-Propenoic acid
  393694.9026  0.0683 -4.6526 3  691.5987105  72503 303523617      513616        s-trans-Propenoic acid
  393704.8653  0.0855 -4.9456 3  416.4759 75  72503 3033729 8      3728 9        s-trans-Propenoic acid
  393704.8653  0.0855 -4.9456 3  416.4759 75  72503 3033729 9      372810        s-trans-Propenoic acid
  393718.9565  0.0164 -4.1448 3  172.7529 41  72503 3032018 2      1917 3        s-trans-Propenoic acid
  393718.9565  0.0164 -4.1448 3  172.7529 41  72503 3032018 3      1917 2        s-trans-Propenoic acid
  393796.9308  0.0386 -5.3690 3  806.6481155  72503 30377 968      77 869        s-trans-Propenoic acid
  393796.9308  0.0386 -5.8351 3  806.6481155  72503 30377 968      77 969        s-trans-Propenoic acid
  393796.9308  0.0386 -5.8351 3  806.6481155  72503 303771068      77 869        s-trans-Propenoic acid
  393796.9308  0.0386 -5.3690 3  806.6481155  72503 303771068      77 969        s-trans-Propenoic acid
  393810.2337  0.1779 -5.2889 3  864.9577139  72503 303693039      692940        s-trans-Propenoic acid
  393810.2337  0.1779 -5.2889 3  864.9577139  72503 303693040      692941        s-trans-Propenoic acid
  393830.9959  0.0333 -5.2837 3  681.6420145  72503 30372 666      72 567        s-trans-Propenoic acid
  393830.9959  0.0333 -5.7248 3  681.6420145  72503 30372 666      72 667        s-trans-Propenoic acid
  393830.9959  0.0333 -5.7248 3  681.6420145  72503 30372 766      72 567        s-trans-Propenoic acid
  393830.9959  0.0333 -5.2837 3  681.6420145  72503 30372 766      72 667        s-trans-Propenoic acid
  393855.9933  0.0860 -4.9727 3  407.1325 73  72503 3033629 7      3628 8        s-trans-Propenoic acid
  393855.9933  0.0860 -4.9727 3  407.1325 73  72503 3033629 8      3628 9        s-trans-Propenoic acid
  393919.5872  0.0640 -4.5968 3  675.2895105  72503 303523517      513516        s-trans-Propenoic acid
  393919.5872  0.0640 -4.5968 3  675.2895105  72503 303523518      513517        s-trans-Propenoic acid
  393996.2917  0.0864 -5.0070 3  398.0446 71  72503 3033529 6      3528 7        s-trans-Propenoic acid
  393996.2917  0.0864 -5.0070 3  398.0446 71  72503 3033529 7      3528 8        s-trans-Propenoic acid
  394080.8746  0.0067 -5.5475 3  162.8019 57  72503 30328 721      27 522        s-trans-Propenoic acid
  394126.3298  0.0868 -5.0505 3  389.2120 69  72503 3033429 5      3428 6        s-trans-Propenoic acid
  394126.3298  0.0868 -5.0505 3  389.2120 69  72503 3033429 6      3428 7        s-trans-Propenoic acid
  394160.0463  0.0599 -4.5434 3  659.4476105  72503 303523418      513417        s-trans-Propenoic acid
  394160.0463  0.0599 -4.5434 3  659.4476105  72503 303523419      513418        s-trans-Propenoic acid
  394174.5654  0.0053 -3.8699 3  424.5851101  72503 303501536      491535        s-trans-Propenoic acid
  394246.6580  0.0873 -5.1065 3  380.6345 67  72503 3033329 4      3328 5        s-trans-Propenoic acid
  394246.6580  0.0873 -5.1065 3  380.6345 67  72503 3033329 5      3328 6        s-trans-Propenoic acid
  394357.8081  0.0878 -5.1805 3  372.3118 65  72503 3033229 3      3228 4        s-trans-Propenoic acid
  394357.8081  0.0878 -5.1805 3  372.3118 65  72503 3033229 4      3228 5        s-trans-Propenoic acid
  394418.4496  0.0558 -4.4925 3  644.0739105  72503 303523319      513318        s-trans-Propenoic acid
  394418.4496  0.0558 -4.4925 3  644.0739105  72503 303523320      513319        s-trans-Propenoic acid
  394460.2939  0.0882 -5.2827 3  364.2437 63  72503 3033129 2      3128 3        s-trans-Propenoic acid
  394460.2939  0.0882 -5.2827 3  364.2437 63  72503 3033129 3      3128 4        s-trans-Propenoic acid
  394503.4594  0.0744 -5.1794 3  543.3836117  72503 303581543      571642        s-trans-Propenoic acid
  394523.1606  0.0047 -3.8526 3  418.8812101  72503 303501437      491436        s-trans-Propenoic acid
  394553.6173  0.0044 -5.4106 3  142.9199 51  72503 30325 818      24 519        s-trans-Propenoic acid
  394554.6115  0.0887 -5.4363 3  356.4299 61  72503 3033029 1      3028 2        s-trans-Propenoic acid
  394554.6115  0.0887 -5.4363 3  356.4299 61  72503 3033029 2      3028 3        s-trans-Propenoic acid
  394641.2397  0.0892 -5.7151 3  348.8703 59  72503 3032929 0      2928 1        s-trans-Propenoic acid
  394641.2397  0.0892 -5.7151 3  348.8703 59  72503 3032929 1      2928 2        s-trans-Propenoic acid
  394678.1234  0.1686 -5.2607 3  847.2837137  72503 303683038      682939        s-trans-Propenoic acid
  394678.1234  0.1686 -5.2607 3  847.2837137  72503 303683039      682940        s-trans-Propenoic acid
  394697.3390  0.0519 -4.4437 3  629.1696105  72503 303523220      513219        s-trans-Propenoic acid
  394697.3390  0.0519 -4.4437 3  629.1696105  72503 303523221      513220        s-trans-Propenoic acid
  394733.4229  0.3819 -5.7297 3 1131.9222165  72503 303823151      823052        s-trans-Propenoic acid
  394733.4545  0.3819 -5.7297 3 1131.9222165  72503 303823152      823053        s-trans-Propenoic acid
  394737.1561  0.0692 -5.9587 3  499.5226109  72503 303541837      541638        s-trans-Propenoic acid
  394897.3761  0.0322 -5.3027 3  608.0048139  72503 30369 465      69 366        s-trans-Propenoic acid
  394897.3761  0.0322 -5.7280 3  608.0048139  72503 30369 465      69 466        s-trans-Propenoic acid
  394897.3761  0.0322 -5.7280 3  608.0048139  72503 30369 565      69 366        s-trans-Propenoic acid
  394897.3761  0.0322 -5.3027 3  608.0048139  72503 30369 565      69 466        s-trans-Propenoic acid
  394932.2016  0.0109 -3.9701 3  466.0917103  72503 303511933      501932        s-trans-Propenoic acid
  394934.4201  0.0109 -3.9701 3  466.0918103  72503 303511932      501931        s-trans-Propenoic acid
  394946.1773  0.0127 -4.1756 3  175.4919 45  72503 3032217 5      2116 6        s-trans-Propenoic acid
  394946.1773  0.0127 -4.1756 3  175.4919 45  72503 3032217 6      2116 5        s-trans-Propenoic acid
  394999.7103  0.0481 -4.3970 3  614.7359105  72503 303523121      513120        s-trans-Propenoic acid
  394999.7103  0.0481 -4.3970 3  614.7359105  72503 303523122      513121        s-trans-Propenoic acid
  395033.8255  0.0137 -5.9513 3  292.2729 77  72503 303381623      381424        s-trans-Propenoic acid
  395108.4589  0.0137 -5.9511 3  292.2704 77  72503 303381622      381425        s-trans-Propenoic acid
  395136.7835  0.0106 -3.8399 3  468.4345123  72503 30361 259      60 258        s-trans-Propenoic acid
  395136.7835  0.0106 -4.2571 3  468.4345123  72503 30361 259      60 358        s-trans-Propenoic acid
  395136.7835  0.0106 -4.2571 3  468.4345123  72503 30361 359      60 258        s-trans-Propenoic acid
  395136.7835  0.0106 -3.8399 3  468.4345123  72503 30361 359      60 358        s-trans-Propenoic acid
  395137.6246  0.0125 -3.8321 3  469.4672125  72503 30362 161      61 160        s-trans-Propenoic acid
  395137.6246  0.0125 -4.2326 3  469.4672125  72503 30362 161      61 260        s-trans-Propenoic acid
  395137.6246  0.0125 -4.2326 3  469.4672125  72503 30362 261      61 160        s-trans-Propenoic acid
  395137.6246  0.0125 -3.8321 3  469.4672125  72503 30362 261      61 260        s-trans-Propenoic acid
  395141.3925  0.0155 -3.8234 3  469.9854127  72503 30363 063      62 062        s-trans-Propenoic acid
  395141.3925  0.0155 -4.2087 3  469.9854127  72503 30363 063      62 162        s-trans-Propenoic acid
  395141.3925  0.0155 -4.2087 3  469.9854127  72503 30363 163      62 062        s-trans-Propenoic acid
  395141.3925  0.0155 -3.8234 3  469.9854127  72503 30363 163      62 162        s-trans-Propenoic acid
  395144.1029  0.0095 -3.8467 3  466.8802121  72503 30360 357      59 356        s-trans-Propenoic acid
  395144.1029  0.0095 -4.2825 3  466.8802121  72503 30360 357      59 456        s-trans-Propenoic acid
  395144.1029  0.0095 -4.2825 3  466.8802121  72503 30360 457      59 356        s-trans-Propenoic acid
  395144.1029  0.0095 -3.8467 3  466.8802121  72503 30360 457      59 456        s-trans-Propenoic acid
  395160.6285  0.2862 -5.8124 3  816.9477145  72503 303722052      712151        s-trans-Propenoic acid
  395167.0538  0.0089 -3.8525 3  464.7954119  72503 30359 455      58 454        s-trans-Propenoic acid
  395167.0538  0.0089 -4.3090 3  464.7954119  72503 30359 455      58 554        s-trans-Propenoic acid
  395167.0538  0.0089 -4.3090 3  464.7954119  72503 30359 555      58 454        s-trans-Propenoic acid
  395167.0538  0.0089 -3.8525 3  464.7954119  72503 30359 555      58 554        s-trans-Propenoic acid
  395194.1441  0.0041 -3.8126 3  399.2969 99  72503 303491237      481236        s-trans-Propenoic acid
  395216.3451  0.0339 -5.4542 3  537.4405133  72503 30366 264      66 165        s-trans-Propenoic acid
  395216.3451  0.0339 -5.8645 3  537.4405133  72503 30366 264      66 265        s-trans-Propenoic acid
  395216.3451  0.0339 -5.8645 3  537.4405133  72503 30366 364      66 165        s-trans-Propenoic acid
  395216.3451  0.0339 -5.4542 3  537.4405133  72503 30366 364      66 265        s-trans-Propenoic acid
  395216.5242  0.0083 -3.8571 3  462.1689117  72503 30358 553      57 552        s-trans-Propenoic acid
  395216.5242  0.0083 -4.3371 3  462.1689117  72503 30358 553      57 652        s-trans-Propenoic acid
  395216.5242  0.0083 -4.3371 3  462.1689117  72503 30358 653      57 552        s-trans-Propenoic acid
  395216.5242  0.0083 -3.8571 3  462.1689117  72503 30358 653      57 652        s-trans-Propenoic acid
  395308.8214  0.0079 -4.3674 3  458.9860115  72503 30357 651      56 750        s-trans-Propenoic acid
  395308.8215  0.0079 -3.8607 3  458.9860115  72503 30357 751      56 750        s-trans-Propenoic acid
  395308.8217  0.0079 -3.8607 3  458.9860115  72503 30357 651      56 650        s-trans-Propenoic acid
  395308.8218  0.0079 -4.3674 3  458.9860115  72503 30357 751      56 650        s-trans-Propenoic acid
  395329.1204  0.0444 -4.3522 3  600.7743105  72503 303523022      513021        s-trans-Propenoic acid
  395329.1204  0.0444 -4.3522 3  600.7743105  72503 303523023      513022        s-trans-Propenoic acid
  395442.0599  0.0433 -5.4232 3  856.2999159  72503 303791069      79 970        s-trans-Propenoic acid
  395442.0599  0.0433 -5.8976 3  856.2999159  72503 303791069      791070        s-trans-Propenoic acid
  395442.0599  0.0433 -5.8976 3  856.2999159  72503 303791169      79 970        s-trans-Propenoic acid
  395442.0599  0.0433 -5.4232 3  856.2999159  72503 303791169      791070        s-trans-Propenoic acid
  395469.2708  0.0073 -4.4007 3  455.2274113  72503 30356 749      55 848        s-trans-Propenoic acid
  395469.2755  0.0073 -3.8629 3  455.2274113  72503 30356 849      55 848        s-trans-Propenoic acid
  395469.2801  0.0073 -3.8629 3  455.2274113  72503 30356 749      55 748        s-trans-Propenoic acid
  395469.2848  0.0073 -4.4007 3  455.2274113  72503 30356 849      55 748        s-trans-Propenoic acid
  395477.1485  0.0065 -4.6158 3  420.5107103  72503 303511240      501139        s-trans-Propenoic acid
  395504.7411  0.1600 -5.2334 3  829.8769135  72503 303673037      672938        s-trans-Propenoic acid
  395504.7411  0.1600 -5.2334 3  829.8769135  72503 303673038      672939        s-trans-Propenoic acid
  395572.3746  0.0072 -5.0516 3  181.0198 61  72503 30330 822      29 723        s-trans-Propenoic acid
  395689.8249  0.0408 -4.3094 3  587.2866105  72503 303522923      512922        s-trans-Propenoic acid
  395689.8249  0.0408 -4.3094 3  587.2866105  72503 303522924      512923        s-trans-Propenoic acid
  395739.0392  0.0068 -4.4382 3  450.8667111  72503 30355 847      54 946        s-trans-Propenoic acid
  395739.2027  0.0068 -3.8637 3  450.8667111  72503 30355 947      54 946        s-trans-Propenoic acid
  395739.3531  0.0068 -3.8637 3  450.8667111  72503 30355 847      54 846        s-trans-Propenoic acid
  395739.5166  0.0068 -4.4382 3  450.8667111  72503 30355 947      54 846        s-trans-Propenoic acid
  396025.4678  0.0098 -4.7325 3  439.7578105  72503 303521240      511339        s-trans-Propenoic acid
  396046.6799  0.0206 -5.9470 3  310.2371 83  72503 303411427      411130        s-trans-Propenoic acid
  396086.9617  0.0374 -4.2683 3  574.2749105  72503 303522824      512823        s-trans-Propenoic acid
  396086.9617  0.0374 -4.2683 3  574.2749105  72503 303522825      512824        s-trans-Propenoic acid
  396114.0918  0.0095 -4.2092 3  179.7444 49  72503 3032416 8      2315 9        s-trans-Propenoic acid
  396114.0918  0.0095 -4.2092 3  179.7444 49  72503 3032416 9      2315 8        s-trans-Propenoic acid
  396119.7253  0.0360 -5.3087 3  727.9744149  72503 30374 767      74 668        s-trans-Propenoic acid
  396119.7253  0.0360 -5.7576 3  727.9744149  72503 30374 767      74 768        s-trans-Propenoic acid
  396119.7253  0.0360 -5.7576 3  727.9744149  72503 30374 867      74 668        s-trans-Propenoic acid
  396119.7253  0.0360 -5.3087 3  727.9744149  72503 30374 867      74 768        s-trans-Propenoic acid
  396167.2999  0.3615 -5.6912 3 1110.7684163  72503 303813150      813051        s-trans-Propenoic acid
  396167.3154  0.3615 -5.6912 3 1110.7684163  72503 303813151      813052        s-trans-Propenoic acid
  396185.3323  0.0062 -4.4821 3  445.8661109  72503 30354 945      531044        s-trans-Propenoic acid
  396189.7319  0.0062 -3.8627 3  445.8661109  72503 303541045      531044        s-trans-Propenoic acid
  396193.4514  0.0062 -3.8627 3  445.8659109  72503 30354 945      53 944        s-trans-Propenoic acid
  396197.8510  0.0062 -4.4821 3  445.8659109  72503 303541045      53 944        s-trans-Propenoic acid
  396283.7941  0.0400 -5.7031 3  501.0377111  72503 303551639      551342        s-trans-Propenoic acid
  396291.8971  0.1520 -5.2070 3  812.7366133  72503 303663036      662937        s-trans-Propenoic acid
  396291.8971  0.1520 -5.2070 3  812.7366133  72503 303663037      662938        s-trans-Propenoic acid
  396348.5051  0.0031 -4.4304 3  212.6742 65  72503 303321221      311120        s-trans-Propenoic acid
  396426.6471  0.0039 -5.9464 3  121.1186 41  72503 303201010      19 811        s-trans-Propenoic acid
  396440.1292  0.0123 -4.7049 3  333.4378 89  72503 303441233      431132        s-trans-Propenoic acid
  396440.3630  0.0054 -5.9530 3  117.1841 47  72503 30323 320      22 221        s-trans-Propenoic acid
  396503.3284  0.0090 -3.9429 3  458.0996103  72503 303511834      501833        s-trans-Propenoic acid
  396525.9540  0.0090 -3.9428 3  458.1004103  72503 303511833      501832        s-trans-Propenoic acid
  396526.7962  0.0340 -4.2290 3  561.7416105  72503 303522725      512724        s-trans-Propenoic acid
  396526.7962  0.0340 -4.2290 3  561.7416105  72503 303522726      512725        s-trans-Propenoic acid
  396567.9842  0.0086 -3.8306 3  406.6871 99  72503 303491435      481434        s-trans-Propenoic acid
  396570.8225  0.0039 -5.9462 3  121.1138 41  72503 303201011      19 812        s-trans-Propenoic acid
  396592.2130  0.0053 -5.9527 3  117.1841 47  72503 30323 420      22 121        s-trans-Propenoic acid
  396602.3248  0.0055 -5.4839 3  136.1327 51  72503 30325 520      24 421        s-trans-Propenoic acid
  396650.8189  0.0047 -4.6136 3  433.7024105  72503 303521141      511240        s-trans-Propenoic acid
  396682.7125  0.0055 -5.8606 3  136.1300 51  72503 30325 520      24 321        s-trans-Propenoic acid
  396846.2730  0.0056 -4.5364 3  440.1692107  72503 303531043      521142        s-trans-Propenoic acid
  396862.0501  0.0499 -5.4849 3  907.2530163  72503 303811170      811071        s-trans-Propenoic acid
  396862.0501  0.0499 -5.9677 3  907.2530163  72503 303811170      811171        s-trans-Propenoic acid
  396862.0501  0.0499 -5.9677 3  907.2530163  72503 303811270      811071        s-trans-Propenoic acid
  396862.0501  0.0499 -5.4849 3  907.2530163  72503 303811270      811171        s-trans-Propenoic acid
  396936.1028  0.0057 -3.8595 3  440.1692107  72503 303531143      521142        s-trans-Propenoic acid
  396949.2270  0.0295 -5.8933 3  411.7187 97  72503 303481731      481534        s-trans-Propenoic acid
  397004.2625  0.0057 -3.8594 3  440.1640107  72503 303531043      521042        s-trans-Propenoic acid
  397017.0583  0.0308 -4.1914 3  549.6897105  72503 303522626      512625        s-trans-Propenoic acid
  397017.0583  0.0308 -4.1914 3  549.6897105  72503 303522627      512626        s-trans-Propenoic acid
  397041.3035  0.1447 -5.1815 3  795.8624131  72503 303653035      652936        s-trans-Propenoic acid
  397041.3035  0.1447 -5.1815 3  795.8624131  72503 303653036      652937        s-trans-Propenoic acid
  397094.0923  0.0058 -4.5358 3  440.1640107  72503 303531143      521042        s-trans-Propenoic acid
  397129.0507  0.0031 -4.4290 3  212.6524 65  72503 303321220      311121        s-trans-Propenoic acid
  397146.1118  0.0069 -4.2474 3  185.5343 53  72503 303261512      251411        s-trans-Propenoic acid
  397146.1123  0.0069 -4.2474 3  185.5343 53  72503 303261511      251412        s-trans-Propenoic acid
  397156.4286  0.0545 -5.7353 3  457.8460105  72503 303521636      521339        s-trans-Propenoic acid
  397355.5903  0.0137 -5.9702 3  282.4411 75  72503 303371622      371423        s-trans-Propenoic acid
  397391.9762  0.0137 -5.9701 3  282.4399 75  72503 303371621      371424        s-trans-Propenoic acid
  397447.9645  0.0696 -5.9997 3  558.6778117  72503 303581840      581643        s-trans-Propenoic acid
  397453.4326  0.0186 -5.9903 3  308.4591 85  72503 303421131      42 834        s-trans-Propenoic acid
  397534.7718  0.3421 -5.6535 3 1089.8887161  72503 303803149      803050        s-trans-Propenoic acid
  397534.7793  0.3421 -5.6535 3 1089.8887161  72503 303803150      803051        s-trans-Propenoic acid
  397567.4151  0.0277 -4.1553 3  538.1228105  72503 303522527      512526        s-trans-Propenoic acid
  397567.4151  0.0277 -4.1553 3  538.1228105  72503 303522528      512527        s-trans-Propenoic acid
  397574.1722  0.0345 -5.2930 3  652.3007143  72503 30371 566      71 467        s-trans-Propenoic acid
  397574.1722  0.0345 -5.7258 3  652.3007143  72503 30371 566      71 567        s-trans-Propenoic acid
  397574.1722  0.0345 -5.7258 3  652.3007143  72503 30371 666      71 467        s-trans-Propenoic acid
  397574.1722  0.0345 -5.2930 3  652.3007143  72503 30371 666      71 567        s-trans-Propenoic acid
  397646.5197  0.0370 -5.7389 3  466.7831107  72503 303531538      531241        s-trans-Propenoic acid
  397754.5820  0.1380 -5.1569 3  779.2536129  72503 303643034      642935        s-trans-Propenoic acid
  397754.5820  0.1380 -5.1569 3  779.2536129  72503 303643035      642936        s-trans-Propenoic acid
  397889.9996  0.0050 -4.2929 3  192.8996 57  72503 303281415      271314        s-trans-Propenoic acid
  397890.1256  0.0050 -4.2929 3  192.8996 57  72503 303281414      271315        s-trans-Propenoic acid
  397992.4712  0.0051 -3.8539 3  433.7024105  72503 303521241      511240        s-trans-Propenoic acid
  398015.8603  0.0036 -4.3502 3  201.9036 61  72503 303301318      291217        s-trans-Propenoic acid
  398030.3620  0.0036 -4.3502 3  201.9032 61  72503 303301317      291218        s-trans-Propenoic acid
  398047.2290  0.0593 -5.5533 3  959.5013167  72503 303831271      831172        s-trans-Propenoic acid
  398047.2290  0.0593 -6.0447 3  959.5013167  72503 303831271      831272        s-trans-Propenoic acid
  398047.2291  0.0593 -6.0447 3  959.5013167  72503 303831371      831172        s-trans-Propenoic acid
  398047.2291  0.0593 -5.5533 3  959.5013167  72503 303831371      831272        s-trans-Propenoic acid
  398190.1510  0.0247 -4.1208 3  527.0454105  72503 303522428      512427        s-trans-Propenoic acid
  398190.1510  0.0247 -4.1208 3  527.0454105  72503 303522429      512428        s-trans-Propenoic acid
  398210.2591  0.0390 -5.3458 3  775.6267153  72503 30376 868      76 769        s-trans-Propenoic acid
  398210.2591  0.0390 -5.8026 3  775.6267153  72503 30376 868      76 869        s-trans-Propenoic acid
  398210.2591  0.0390 -5.8026 3  775.6267153  72503 30376 968      76 769        s-trans-Propenoic acid
  398210.2591  0.0390 -5.3458 3  775.6267153  72503 30376 968      76 869        s-trans-Propenoic acid
  398219.5234  0.0387 -5.6908 3  510.1484131  72503 30365 164      65 065        s-trans-Propenoic acid
  398219.5234  0.0387 -5.6908 3  510.1484131  72503 30365 264      65 165        s-trans-Propenoic acid
  398250.0322  0.0345 -5.3606 3  579.6765137  72503 30368 365      68 266        s-trans-Propenoic acid
  398250.0322  0.0345 -5.7780 3  579.6765137  72503 30368 365      68 366        s-trans-Propenoic acid
  398250.0322  0.0345 -5.7780 3  579.6765137  72503 30368 465      68 266        s-trans-Propenoic acid
  398250.0322  0.0345 -5.3606 3  579.6765137  72503 30368 465      68 366        s-trans-Propenoic acid
  398250.2766  0.0045 -3.8484 3  426.4736103  72503 303511339      501338        s-trans-Propenoic acid
  398288.4230  0.0076 -3.8612 3  424.8094101  72503 303501535      491534        s-trans-Propenoic acid
  398339.3264  0.0701 -6.0248 3  574.2211119  72503 303591841      591644        s-trans-Propenoic acid
  398424.5131  0.0086 -6.0459 3  239.0762 71  72503 303351224      35 927        s-trans-Propenoic acid
  398433.2717  0.1319 -5.1331 3  762.9098127  72503 303633033      632934        s-trans-Propenoic acid
  398433.2717  0.1319 -5.1331 3  762.9098127  72503 303633034      632935        s-trans-Propenoic acid
  398455.0396  0.0074 -3.9166 3  450.6919103  72503 303511735      501734        s-trans-Propenoic acid
  398490.4085  0.0678 -5.9791 3  543.3836115  72503 303571839      571642        s-trans-Propenoic acid
  398515.2941  0.0087 -6.0455 3  243.7262 73  72503 303361126      36 829        s-trans-Propenoic acid
  398533.2820  0.1263 -6.0411 3  581.4098119  72503 303591941      591742        s-trans-Propenoic acid
  398581.8129  0.0280 -5.8967 3  399.2154 95  72503 303471731      471532        s-trans-Propenoic acid
  398646.5555  0.0074 -3.9162 3  450.6994103  72503 303511734      501733        s-trans-Propenoic acid
  398747.8764  0.0052 -5.6748 3  126.5200 49  72503 30324 420      23 321        s-trans-Propenoic acid
  398839.2483  0.3237 -5.6167 3 1069.2823159  72503 303793148      793049        s-trans-Propenoic acid
  398839.2519  0.3237 -5.6167 3 1069.2823159  72503 303793149      793050        s-trans-Propenoic acid
  398863.9218  0.0054 -3.8518 3  433.6286105  72503 303521141      511140        s-trans-Propenoic acid
  398901.1813  0.0218 -4.0877 3  516.4630105  72503 303522330      512329        s-trans-Propenoic acid
  398901.1814  0.0218 -4.0877 3  516.4630105  72503 303522329      512328        s-trans-Propenoic acid
  398911.1062  0.0041 -5.6018 3  149.5432 53  72503 30326 819      25 620        s-trans-Propenoic acid
  398986.6660  0.0719 -5.6278 3 1013.0382171  72503 303851372      851273        s-trans-Propenoic acid
  398986.6664  0.0719 -5.6278 3 1013.0382171  72503 303851472      851373        s-trans-Propenoic acid
  399069.3704  0.1513 -5.9121 3  981.6921107  72503 3035350 3      5250 2        s-trans-Propenoic acid
  399069.3704  0.1513 -5.9121 3  981.6921107  72503 3035350 4      5250 3        s-trans-Propenoic acid
  399072.9704  0.0043 -5.2646 3  191.7927 63  72503 30331 922      30 723        s-trans-Propenoic acid
  399078.8348  0.1263 -5.1103 3  746.8305125  72503 303623032      622933        s-trans-Propenoic acid
  399078.8348  0.1263 -5.1103 3  746.8305125  72503 303623033      622934        s-trans-Propenoic acid
  399197.5343  0.1449 -5.7437 3  958.9066107  72503 3035349 4      5249 3        s-trans-Propenoic acid
  399197.5343  0.1449 -5.7437 3  958.9066107  72503 3035349 5      5249 4        s-trans-Propenoic acid
  399205.0193  0.3397 -5.9287 3  882.8700151  72503 303752154      742253        s-trans-Propenoic acid
  399329.0877  0.1387 -5.6043 3  936.5816107  72503 3035348 5      5248 4        s-trans-Propenoic acid
  399329.0877  0.1387 -5.6043 3  936.5816107  72503 3035348 6      5248 5        s-trans-Propenoic acid
  399448.2772  0.0138 -5.9917 3  272.8852 73  72503 303361621      361422        s-trans-Propenoic acid
  399464.4244  0.1325 -5.4836 3  914.7173107  72503 3035347 6      5247 5        s-trans-Propenoic acid
  399464.4244  0.1325 -5.4836 3  914.7173107  72503 3035347 7      5247 6        s-trans-Propenoic acid
  399465.5234  0.0138 -5.9917 3  272.8846 73  72503 303361620      361423        s-trans-Propenoic acid
  399603.9823  0.1265 -5.3761 3  893.3141107  72503 3035346 7      5246 6        s-trans-Propenoic acid
  399603.9823  0.1265 -5.3761 3  893.3141107  72503 3035346 8      5246 7        s-trans-Propenoic acid
  399667.9528  0.0882 -5.7080 3 1067.8574175  72503 303871473      871374        s-trans-Propenoic acid
  399667.9545  0.0882 -5.7080 3 1067.8574175  72503 303871573      871474        s-trans-Propenoic acid
  399692.6634  0.1213 -5.0885 3  731.0153123  72503 303613031      612932        s-trans-Propenoic acid
  399692.6634  0.1213 -5.0885 3  731.0153123  72503 303613032      612933        s-trans-Propenoic acid
  399721.6188  0.0190 -4.0560 3  506.3829105  72503 303522231      512230        s-trans-Propenoic acid
  399721.6208  0.0190 -4.0560 3  506.3829105  72503 303522230      512229        s-trans-Propenoic acid
  399748.2493  0.1207 -5.2786 3  872.3723107  72503 3035345 8      5245 7        s-trans-Propenoic acid
  399748.2493  0.1207 -5.2786 3  872.3723107  72503 3035345 9      5245 8        s-trans-Propenoic acid
  399821.2269  0.0050 -5.6731 3  126.5198 49  72503 30324 520      23 221        s-trans-Propenoic acid
  399897.7708  0.1149 -5.1889 3  851.8923107  72503 3035344 9      5244 8        s-trans-Propenoic acid
  399897.7708  0.1149 -5.1889 3  851.8923107  72503 303534410      5244 9        s-trans-Propenoic acid
  399917.0714  0.0066 -4.8923 3  200.4556 65  72503 30332 923      31 824        s-trans-Propenoic acid
  399971.9848  0.0048 -3.8220 3  412.4792101  72503 303501238      491237        s-trans-Propenoic acid
  400010.4014  0.1626 -5.9798 3 1239.9398187  72503 303931776      931677        s-trans-Propenoic acid
  400010.4824  0.1626 -5.9798 3 1239.9398187  72503 303931876      931777        s-trans-Propenoic acid
  400018.5195  0.0204 -4.1108 3  176.0490 39  72503 3031919 0      1818 1        s-trans-Propenoic acid
  400018.5195  0.0204 -4.1108 3  176.0490 39  72503 3031919 1      1818 0        s-trans-Propenoic acid
  400053.1576  0.1093 -5.1057 3  831.8745107  72503 303534310      5243 9        s-trans-Propenoic acid
  400053.1576  0.1093 -5.1057 3  831.8745107  72503 303534311      524310        s-trans-Propenoic acid
  400067.1353  0.0372 -5.3041 3  697.9285147  72503 30373 667      73 568        s-trans-Propenoic acid
  400067.1353  0.0372 -5.7444 3  697.9285147  72503 30373 667      73 668        s-trans-Propenoic acid
  400067.1353  0.0372 -5.7444 3  697.9285147  72503 30373 767      73 568        s-trans-Propenoic acid
  400067.1353  0.0372 -5.3041 3  697.9285147  72503 30373 767      73 668        s-trans-Propenoic acid
  400076.9302  0.1086 -5.7936 3 1123.9520179  72503 303891574      891475        s-trans-Propenoic acid
  400076.9366  0.1086 -5.7936 3 1123.9520179  72503 303891674      891575        s-trans-Propenoic acid
  400083.8848  0.3063 -5.5807 3 1048.9483157  72503 303783147      783048        s-trans-Propenoic acid
  400083.8865  0.3063 -5.5807 3 1048.9483157  72503 303783148      783049        s-trans-Propenoic acid
  400096.0634  0.0426 -5.3928 3  824.5930157  72503 30378 969      78 870        s-trans-Propenoic acid
  400096.0634  0.0426 -5.8577 3  824.5930157  72503 30378 969      78 970        s-trans-Propenoic acid
  400096.0634  0.0426 -5.8577 3  824.5930157  72503 303781069      78 870        s-trans-Propenoic acid
  400096.0634  0.0426 -5.3928 3  824.5930157  72503 303781069      78 970        s-trans-Propenoic acid
  400197.3436  0.1333 -5.8842 3 1181.3152183  72503 303911675      911576        s-trans-Propenoic acid
  400197.3670  0.1333 -5.8842 3 1181.3152183  72503 303911775      911676        s-trans-Propenoic acid
  400205.5741  0.0065 -4.6053 3  433.6286105  72503 303521241      511140        s-trans-Propenoic acid
  400215.0963  0.1038 -5.0277 3  812.3193107  72503 303534211      524210        s-trans-Propenoic acid
  400215.0963  0.1038 -5.0277 3  812.3193107  72503 303534212      524211        s-trans-Propenoic acid
  400276.0839  0.1169 -5.0676 3  715.4635121  72503 303603030      602931        s-trans-Propenoic acid
  400276.0839  0.1169 -5.0676 3  715.4635121  72503 303603031      602932        s-trans-Propenoic acid
  400369.2153  0.0032 -4.5579 3  225.2213 69  72503 303341123      331024        s-trans-Propenoic acid
  400384.3607  0.0984 -4.9544 3  793.2271107  72503 303534112      524111        s-trans-Propenoic acid
  400384.3607  0.0984 -4.9544 3  793.2271107  72503 303534113      524112        s-trans-Propenoic acid
  400517.2700  0.5712 -6.0194 3 1300.5086179  72503 303893257      893158        s-trans-Propenoic acid
  400517.6164  0.5711 -6.0194 3 1300.5086179  72503 303893258      893159        s-trans-Propenoic acid
  400561.8257  0.0932 -4.8851 3  774.5985107  72503 303534013      524012        s-trans-Propenoic acid
  400561.8257  0.0932 -4.8851 3  774.5985107  72503 303534014      524013        s-trans-Propenoic acid
  400680.3133  0.0164 -4.0257 3  496.8143105  72503 303522132      512131        s-trans-Propenoic acid
  400680.3430  0.0164 -4.0257 3  496.8143105  72503 303522131      512130        s-trans-Propenoic acid
  400717.2102  0.0063 -3.8914 3  443.9031103  72503 303511636      501635        s-trans-Propenoic acid
  400748.4840  0.0881 -4.8194 3  756.4339107  72503 303533914      523913        s-trans-Propenoic acid
  400748.4840  0.0881 -4.8194 3  756.4339107  72503 303533915      523914        s-trans-Propenoic acid
  400830.3624  0.1129 -5.0476 3  700.1749119  72503 303593029      592930        s-trans-Propenoic acid
  400830.3624  0.1129 -5.0476 3  700.1749119  72503 303593030      592931        s-trans-Propenoic acid
  400938.3769  0.0648 -5.9620 3  528.3471113  72503 303561838      561641        s-trans-Propenoic acid
  400945.4661  0.0831 -4.7569 3  738.7340107  72503 303533815      523814        s-trans-Propenoic acid
  400945.4661  0.0831 -4.7569 3  738.7340107  72503 303533816      523815        s-trans-Propenoic acid
  400982.8920  0.0040 -5.6243 3  146.3329 51  72503 30325 917      24 718        s-trans-Propenoic acid
  400983.0576  0.0269 -5.8922 3  399.1364 95  72503 303471730      471533        s-trans-Propenoic acid
  401111.3755  0.0362 -5.3211 3  623.2558141  72503 30370 466      70 367        s-trans-Propenoic acid
  401111.3755  0.0362 -5.7459 3  623.2558141  72503 30370 466      70 467        s-trans-Propenoic acid
  401111.3755  0.0362 -5.7459 3  623.2558141  72503 30370 566      70 367        s-trans-Propenoic acid
  401111.3755  0.0362 -5.3211 3  623.2558141  72503 30370 566      70 467        s-trans-Propenoic acid
  401154.0647  0.0783 -4.6973 3  721.4994107  72503 303533716      523715        s-trans-Propenoic acid
  401154.0647  0.0783 -4.6973 3  721.4994107  72503 303533717      523716        s-trans-Propenoic acid
  401262.2357  0.0161 -4.1401 3  177.8018 43  72503 3032118 3      2017 4        s-trans-Propenoic acid
  401262.2357  0.0161 -4.1401 3  177.8018 43  72503 3032118 4      2017 3        s-trans-Propenoic acid
  401262.7821  0.0063 -5.3938 3  180.8300 61  72503 30330 822      29 623        s-trans-Propenoic acid
  401271.6101  0.2898 -5.5455 3 1028.8862155  72503 303773146      773047        s-trans-Propenoic acid
  401271.6109  0.2898 -5.5455 3 1028.8862155  72503 303773147      773048        s-trans-Propenoic acid
  401337.9942  0.0140 -6.0161 3  263.6031 71  72503 303351620      351421        s-trans-Propenoic acid
  401345.9331  0.0140 -6.0161 3  263.6028 71  72503 303351619      351422        s-trans-Propenoic acid
  401347.0945  0.0117 -3.8469 3  481.6148125  72503 30362 260      61 259        s-trans-Propenoic acid
  401347.0945  0.0117 -4.2634 3  481.6148125  72503 30362 260      61 359        s-trans-Propenoic acid
  401347.0945  0.0117 -4.2634 3  481.6148125  72503 30362 360      61 259        s-trans-Propenoic acid
  401347.0945  0.0117 -3.8469 3  481.6148125  72503 30362 360      61 359        s-trans-Propenoic acid
  401348.2229  0.0138 -3.8392 3  482.6475127  72503 30363 162      62 161        s-trans-Propenoic acid
  401348.2229  0.0138 -4.2393 3  482.6475127  72503 30363 162      62 261        s-trans-Propenoic acid
  401348.2229  0.0138 -4.2393 3  482.6475127  72503 30363 262      62 161        s-trans-Propenoic acid
  401348.2229  0.0138 -3.8392 3  482.6475127  72503 30363 262      62 261        s-trans-Propenoic acid
  401352.0576  0.0171 -3.8307 3  483.1659129  72503 30364 064      63 063        s-trans-Propenoic acid
  401352.0576  0.0171 -4.2158 3  483.1659129  72503 30364 064      63 163        s-trans-Propenoic acid
  401352.0576  0.0171 -4.2158 3  483.1659129  72503 30364 164      63 063        s-trans-Propenoic acid
  401352.0576  0.0171 -3.8307 3  483.1659129  72503 30364 164      63 163        s-trans-Propenoic acid
  401353.6934  0.0104 -3.8535 3  480.0608123  72503 30361 358      60 357        s-trans-Propenoic acid
  401353.6934  0.0104 -4.2882 3  480.0608123  72503 30361 358      60 457        s-trans-Propenoic acid
  401353.6934  0.0104 -4.2882 3  480.0608123  72503 30361 458      60 357        s-trans-Propenoic acid
  401353.6934  0.0104 -3.8535 3  480.0608123  72503 30361 458      60 457        s-trans-Propenoic acid
  401356.7086  0.1095 -5.0287 3  685.1489117  72503 303583028      582929        s-trans-Propenoic acid
  401356.7086  0.1095 -5.0287 3  685.1489117  72503 303583029      582930        s-trans-Propenoic acid
  401375.1377  0.0097 -3.8591 3  477.9768121  72503 30360 456      59 455        s-trans-Propenoic acid
  401375.1377  0.0097 -4.3141 3  477.9768121  72503 30360 456      59 555        s-trans-Propenoic acid
  401375.1377  0.0097 -4.3141 3  477.9768121  72503 30360 556      59 455        s-trans-Propenoic acid
  401375.1377  0.0097 -3.8591 3  477.9768121  72503 30360 556      59 555        s-trans-Propenoic acid
  401375.7637  0.0735 -4.6405 3  704.7309107  72503 303533617      523616        s-trans-Propenoic acid
  401375.7637  0.0735 -4.6405 3  704.7309107  72503 303533618      523617        s-trans-Propenoic acid
  401421.6621  0.0380 -5.4705 3  551.6565135  72503 30367 265      67 166        s-trans-Propenoic acid
  401421.6621  0.0380 -5.8805 3  551.6565135  72503 30367 265      67 266        s-trans-Propenoic acid
  401421.6621  0.0380 -5.8805 3  551.6565135  72503 30367 365      67 166        s-trans-Propenoic acid
  401421.6621  0.0380 -5.4705 3  551.6565135  72503 30367 365      67 266        s-trans-Propenoic acid
  401421.7232  0.0091 -3.8636 3  475.3519119  72503 30359 554      58 553        s-trans-Propenoic acid
  401421.7232  0.0091 -4.3415 3  475.3519119  72503 30359 554      58 653        s-trans-Propenoic acid
  401421.7232  0.0091 -4.3415 3  475.3519119  72503 30359 654      58 553        s-trans-Propenoic acid
  401421.7232  0.0091 -3.8636 3  475.3519119  72503 30359 654      58 653        s-trans-Propenoic acid
  401497.7186  0.0088 -6.0171 3  248.3552 73  72503 303361225      36 928        s-trans-Propenoic acid
  401508.7337  0.0086 -4.3708 3  472.1721117  72503 30358 652      57 751        s-trans-Propenoic acid
  401508.7337  0.0086 -3.8670 3  472.1721117  72503 30358 752      57 751        s-trans-Propenoic acid
  401508.7338  0.0086 -3.8670 3  472.1721117  72503 30358 652      57 651        s-trans-Propenoic acid
  401508.7338  0.0086 -4.3708 3  472.1721117  72503 30358 752      57 651        s-trans-Propenoic acid
  401612.2749  0.0689 -4.5861 3  688.4292107  72503 303533518      523517        s-trans-Propenoic acid
  401612.2749  0.0689 -4.5861 3  688.4292107  72503 303533519      523518        s-trans-Propenoic acid
  401659.6504  0.0081 -4.4030 3  468.4189115  72503 30357 750      56 849        s-trans-Propenoic acid
  401659.6527  0.0081 -3.8691 3  468.4189115  72503 30357 850      56 849        s-trans-Propenoic acid
  401659.6550  0.0081 -3.8691 3  468.4189115  72503 30357 750      56 749        s-trans-Propenoic acid
  401659.6574  0.0081 -4.4030 3  468.4189115  72503 30357 850      56 749        s-trans-Propenoic acid
  401704.8927  0.0354 -5.8479 3  373.4843 93  72503 303461531      461234        s-trans-Propenoic acid
  401769.8488  0.0475 -5.4483 3  874.8672161  72503 303801070      80 971        s-trans-Propenoic acid
  401769.8488  0.0475 -5.9213 3  874.8672161  72503 303801070      801071        s-trans-Propenoic acid
  401769.8488  0.0475 -5.9213 3  874.8672161  72503 303801170      80 971        s-trans-Propenoic acid
  401769.8488  0.0475 -5.4483 3  874.8672161  72503 303801170      801071        s-trans-Propenoic acid
  401818.1362  0.0139 -3.9967 3  487.7694105  72503 303522033      512032        s-trans-Propenoic acid
  401818.5269  0.0139 -3.9967 3  487.7694105  72503 303522032      512031        s-trans-Propenoic acid
  401856.2800  0.1064 -5.0108 3  670.3851115  72503 303573027      572928        s-trans-Propenoic acid
  401856.2800  0.1064 -5.0108 3  670.3851115  72503 303573028      572929        s-trans-Propenoic acid
  401865.5825  0.0644 -4.5340 3  672.5953107  72503 303533419      523418        s-trans-Propenoic acid
  401865.5825  0.0644 -4.5340 3  672.5953107  72503 303533420      523419        s-trans-Propenoic acid
  401912.1870  0.0075 -4.4391 3  464.0672113  72503 30356 848      55 947        s-trans-Propenoic acid
  401912.2718  0.0075 -3.8698 3  464.0672113  72503 30356 948      55 947        s-trans-Propenoic acid
  401912.3505  0.0075 -3.8698 3  464.0672113  72503 30356 848      55 847        s-trans-Propenoic acid
  401912.4353  0.0075 -4.4391 3  464.0672113  72503 30356 948      55 847        s-trans-Propenoic acid
  402002.5051  0.0069 -3.8888 3  443.9626103  72503 303511635      501634        s-trans-Propenoic acid
  402029.8353  0.0062 -3.8034 3  402.8043 99  72503 303491336      481335        s-trans-Propenoic acid
  402036.4094  0.0048 -5.8539 3  136.1327 51  72503 30325 620      24 421        s-trans-Propenoic acid
  402109.7208  0.0049 -3.8541 3  432.0411103  72503 303511438      501437        s-trans-Propenoic acid
  402116.7971  0.0048 -5.4777 3  136.1300 51  72503 30325 620      24 321        s-trans-Propenoic acid
  402137.9990  0.0601 -4.4842 3  657.2303107  72503 303533320      523319        s-trans-Propenoic acid
  402137.9990  0.0601 -4.4842 3  657.2303107  72503 303533321      523320        s-trans-Propenoic acid
  402149.2178  0.0119 -4.7006 3  321.7167 87  72503 303431232      421131        s-trans-Propenoic acid
  402273.7666  0.5421 -5.9757 3 1277.4774177  72503 303883256      883157        s-trans-Propenoic acid
  402273.9453  0.5421 -5.9757 3 1277.4773177  72503 303883257      883158        s-trans-Propenoic acid
  402328.5207  0.0069 -4.4809 3  459.0816111  72503 30355 946      541045        s-trans-Propenoic acid
  402330.1852  0.1038 -4.9940 3  655.8831113  72503 303563026      562927        s-trans-Propenoic acid
  402330.1852  0.1038 -4.9940 3  655.8831113  72503 303563027      562928        s-trans-Propenoic acid
  402330.8887  0.0069 -3.8687 3  459.0816111  72503 303551046      541045        s-trans-Propenoic acid
  402332.9202  0.0069 -3.8687 3  459.0814111  72503 30355 946      54 945        s-trans-Propenoic acid
  402335.2883  0.0069 -4.4809 3  459.0814111  72503 303551046      54 945        s-trans-Propenoic acid
  402371.1947  0.0401 -5.3305 3  744.8822151  72503 30375 768      75 669        s-trans-Propenoic acid
  402371.1947  0.0401 -5.7785 3  744.8822151  72503 30375 768      75 769        s-trans-Propenoic acid
  402371.1947  0.0401 -5.7785 3  744.8822151  72503 30375 868      75 669        s-trans-Propenoic acid
  402371.1947  0.0401 -5.3305 3  744.8822151  72503 30375 868      75 769        s-trans-Propenoic acid
  402405.1495  0.2742 -5.5111 3 1009.0952153  72503 303763145      763046        s-trans-Propenoic acid
  402405.1499  0.2742 -5.5111 3 1009.0952153  72503 303763146      763047        s-trans-Propenoic acid
  402432.2354  0.0559 -4.4364 3  642.3353107  72503 303533221      523220        s-trans-Propenoic acid
  402432.2354  0.0559 -4.4364 3  642.3353107  72503 303533222      523221        s-trans-Propenoic acid
  402476.8316  0.0125 -4.1713 3  181.0567 47  72503 3032317 6      2216 7        s-trans-Propenoic acid
  402476.8316  0.0125 -4.1713 3  181.0567 47  72503 3032317 7      2216 6        s-trans-Propenoic acid
  402524.3142  0.0057 -3.8692 3  437.7333103  72503 303511537      501536        s-trans-Propenoic acid
  402580.3379  0.0032 -4.4412 3  221.0125 67  72503 303331222      321121        s-trans-Propenoic acid
  402748.3567  0.0039 -5.8810 3  126.2748 43  72503 303211011      20 812        s-trans-Propenoic acid
  402751.4909  0.0517 -4.3907 3  627.9116107  72503 303533122      523121        s-trans-Propenoic acid
  402751.4909  0.0517 -4.3907 3  627.9116107  72503 303533123      523122        s-trans-Propenoic acid
  402779.4872  0.1016 -4.9782 3  641.6426111  72503 303553025      552926        s-trans-Propenoic acid
  402779.4872  0.1016 -4.9782 3  641.6426111  72503 303553026      552927        s-trans-Propenoic acid
  402909.0804  0.1080 -5.2918 3  596.4402123  72503 303611645      601744        s-trans-Propenoic acid
  402973.1219  0.0063 -4.5319 3  453.4096109  72503 303541044      531143        s-trans-Propenoic acid
  403023.7324  0.0063 -3.8656 3  453.4096109  72503 303541144      531143        s-trans-Propenoic acid
  403045.7959  0.0143 -6.0434 3  254.5932 69  72503 303341619      341420        s-trans-Propenoic acid
  403049.3406  0.0143 -6.0434 3  254.5931 69  72503 303341618      341421        s-trans-Propenoic acid
  403062.9517  0.0064 -3.8655 3  453.4066109  72503 303541044      531043        s-trans-Propenoic acid
  403068.6015  0.0038 -5.8805 3  126.2640 43  72503 303211012      20 813        s-trans-Propenoic acid
  403099.5686  0.0478 -4.3468 3  613.9611107  72503 303533023      523022        s-trans-Propenoic acid
  403099.5686  0.0478 -4.3468 3  613.9611107  72503 303533024      523023        s-trans-Propenoic acid
  403110.3409  0.0243 -5.9216 3  347.4639 91  72503 303451233      45 936        s-trans-Propenoic acid
  403113.5622  0.0064 -4.5316 3  453.4066109  72503 303541144      531043        s-trans-Propenoic acid
  403194.9231  0.0116 -3.9687 3  479.2652105  72503 303521934      511933        s-trans-Propenoic acid
  403199.3570  0.0116 -3.9687 3  479.2654105  72503 303521933      511932        s-trans-Propenoic acid
  403205.2065  0.0997 -4.9636 3  627.6630109  72503 303543024      542925        s-trans-Propenoic acid
  403205.2065  0.0997 -4.9636 3  627.6630109  72503 303543025      542926        s-trans-Propenoic acid
  403223.4594  0.0543 -5.5113 3  926.4432165  72503 303821171      821072        s-trans-Propenoic acid
  403223.4594  0.0543 -5.9925 3  926.4432165  72503 303821171      821172        s-trans-Propenoic acid
  403223.4594  0.0543 -5.9925 3  926.4432165  72503 303821271      821072        s-trans-Propenoic acid
  403223.4594  0.0543 -5.5113 3  926.4432165  72503 303821271      821172        s-trans-Propenoic acid
  403264.1354  0.0053 -4.6015 3  446.9780107  72503 303531142      521241        s-trans-Propenoic acid
  403465.2799  0.0252 -5.8958 3  386.8837 93  72503 303461730      461531        s-trans-Propenoic acid
  403481.0256  0.0439 -4.3047 3  600.4854107  72503 303532924      522923        s-trans-Propenoic acid
  403481.0256  0.0439 -4.3047 3  600.4854107  72503 303532925      522924        s-trans-Propenoic acid
  403487.0462  0.2594 -5.4776 3  989.5745151  72503 303753144      753045        s-trans-Propenoic acid
  403487.0463  0.2594 -5.4776 3  989.5745151  72503 303753145      753046        s-trans-Propenoic acid
  403608.3232  0.0982 -4.9502 3  613.9441107  72503 303533023      532924        s-trans-Propenoic acid
  403608.3232  0.0982 -4.9502 3  613.9441107  72503 303533024      532925        s-trans-Propenoic acid
  403616.1111  0.0093 -4.2057 3  185.8310 51  72503 3032516 9      241510        s-trans-Propenoic acid
  403616.1111  0.0093 -4.2057 3  185.8310 51  72503 303251610      2415 9        s-trans-Propenoic acid
  403796.3720  0.0386 -5.3128 3  668.1728145  72503 30372 567      72 468        s-trans-Propenoic acid
  403796.3720  0.0386 -5.7449 3  668.1728145  72503 30372 567      72 568        s-trans-Propenoic acid
  403796.3720  0.0386 -5.7449 3  668.1728145  72503 30372 667      72 468        s-trans-Propenoic acid
  403796.3720  0.0386 -5.3128 3  668.1728145  72503 30372 667      72 568        s-trans-Propenoic acid
  403901.3736  0.0402 -4.2643 3  587.4869107  72503 303532825      522824        s-trans-Propenoic acid
  403901.3736  0.0402 -4.2643 3  587.4869107  72503 303532826      522825        s-trans-Propenoic acid
  403948.8221  0.5143 -5.9329 3 1254.7237175  72503 303873255      873156        s-trans-Propenoic acid
  403948.9132  0.5143 -5.9329 3 1254.7237175  72503 303873256      873157        s-trans-Propenoic acid
  403989.7802  0.0969 -4.9380 3  600.4854105  72503 303523022      522923        s-trans-Propenoic acid
  403989.7802  0.0969 -4.9380 3  600.4854105  72503 303523023      522924        s-trans-Propenoic acid
  404066.1426  0.0057 -3.8600 3  446.9780107  72503 303531242      521241        s-trans-Propenoic acid
  404075.3269  0.0031 -4.4386 3  220.9711 67  72503 303331221      321122        s-trans-Propenoic acid
  404099.4566  0.0595 -5.9404 3  485.1395107  72503 303531836      531637        s-trans-Propenoic acid
  404111.3264  0.0445 -4.9986 3  507.5333113  72503 303561442      551541        s-trans-Propenoic acid
  404265.9328  0.0222 -4.8465 3  473.0046109  72503 303541341      531440        s-trans-Propenoic acid
  404345.1908  0.0043 -5.3341 3  149.3619 53  72503 30326 819      25 520        s-trans-Propenoic acid
  404346.8538  0.0609 -5.9476 3  513.5766111  72503 303551837      551640        s-trans-Propenoic acid
  404350.4847  0.0959 -4.9271 3  587.2866103  72503 303513021      512922        s-trans-Propenoic acid
  404350.4847  0.0959 -4.9271 3  587.2866103  72503 303513022      512923        s-trans-Propenoic acid
  404367.3491  0.0366 -4.2256 3  574.9683107  72503 303532726      522725        s-trans-Propenoic acid
  404367.3491  0.0366 -4.2256 3  574.9683107  72503 303532727      522726        s-trans-Propenoic acid
  404424.4512  0.0431 -5.7064 3  523.9503133  72503 30366 165      66 066        s-trans-Propenoic acid
  404424.4512  0.0431 -5.7064 3  523.9503133  72503 30366 265      66 166        s-trans-Propenoic acid
  404447.7392  0.0637 -5.5809 3  979.3149169  72503 303841272      841173        s-trans-Propenoic acid
  404447.7392  0.0637 -5.5809 3  979.3149169  72503 303841372      841273        s-trans-Propenoic acid
  404457.6207  0.0387 -5.3782 3  594.5135139  72503 30369 366      69 267        s-trans-Propenoic acid
  404457.6207  0.0387 -5.7953 3  594.5135139  72503 30369 366      69 367        s-trans-Propenoic acid
  404457.6207  0.0387 -5.7953 3  594.5135139  72503 30369 466      69 267        s-trans-Propenoic acid
  404457.6207  0.0387 -5.3782 3  594.5135139  72503 30369 466      69 367        s-trans-Propenoic acid
  404480.7326  0.0432 -5.3689 3  793.1561155  72503 30377 869      77 770        s-trans-Propenoic acid
  404480.7326  0.0432 -5.8247 3  793.1561155  72503 30377 869      77 870        s-trans-Propenoic acid
  404480.7326  0.0432 -5.8247 3  793.1561155  72503 30377 969      77 770        s-trans-Propenoic acid
  404480.7326  0.0432 -5.3689 3  793.1561155  72503 30377 969      77 870        s-trans-Propenoic acid
  404519.6781  0.2455 -5.4448 3  970.3236149  72503 303743143      743044        s-trans-Propenoic acid
  404519.6782  0.2455 -5.4448 3  970.3236149  72503 303743144      743045        s-trans-Propenoic acid
  404578.5981  0.0056 -3.8321 3  425.8208103  72503 303511239      501238        s-trans-Propenoic acid
  404590.7808  0.0068 -4.2453 3  192.1514 55  72503 303271513      261412        s-trans-Propenoic acid
  404590.7825  0.0068 -4.2453 3  192.1514 55  72503 303271512      261413        s-trans-Propenoic acid
  404605.7877  0.0060 -3.8587 3  446.9333107  72503 303531142      521141        s-trans-Propenoic acid
  404691.3109  0.0952 -4.9176 3  574.3474101  72503 303503020      502921        s-trans-Propenoic acid
  404691.3109  0.0952 -4.9176 3  574.3474101  72503 303503021      502922        s-trans-Propenoic acid
  404727.6455  0.0050 -3.8535 3  439.7578105  72503 303521340      511339        s-trans-Propenoic acid
  404832.0236  0.0246 -5.8932 3  386.8387 93  72503 303461729      461532        s-trans-Propenoic acid
  404887.2855  0.0331 -4.1885 3  562.9327107  72503 303532627      522626        s-trans-Propenoic acid
  404887.2855  0.0331 -4.1885 3  562.9327107  72503 303532628      522627        s-trans-Propenoic acid
  404895.1619  0.0096 -3.9417 3  471.3255105  72503 303521835      511834        s-trans-Propenoic acid
  404937.7775  0.0096 -3.9416 3  471.3270105  72503 303521834      511833        s-trans-Propenoic acid
  405013.1010  0.0946 -4.9095 3  561.6673 99  72503 303493019      492920        s-trans-Propenoic acid
  405013.1010  0.0946 -4.9095 3  561.6673 99  72503 303493020      492921        s-trans-Propenoic acid
  405117.6691  0.0036 -4.3536 3  209.6287 63  72503 303311319      301218        s-trans-Propenoic acid
  405150.3220  0.0036 -4.3535 3  209.6277 63  72503 303311318      301219        s-trans-Propenoic acid
  405217.7884  0.0046 -5.6968 3  145.9978 53  72503 30326 720      25 521        s-trans-Propenoic acid
  405223.4906  0.0049 -4.2928 3  200.0601 59  72503 303291416      281315        s-trans-Propenoic acid
  405223.8281  0.0049 -4.2928 3  200.0601 59  72503 303291415      281316        s-trans-Propenoic acid
  405316.6678  0.0942 -4.9030 3  549.2461 97  72503 303483018      482919        s-trans-Propenoic acid
  405316.6678  0.0942 -4.9030 3  549.2461 97  72503 303483019      482920        s-trans-Propenoic acid
  405407.7949  0.0067 -4.5966 3  446.9333107  72503 303531242      521141        s-trans-Propenoic acid
  405432.3710  0.0766 -5.6567 3 1033.4760173  72503 303861373      861274        s-trans-Propenoic acid
  405432.3712  0.0766 -5.6567 3 1033.4760173  72503 303861473      861374        s-trans-Propenoic acid
  405470.3626  0.0075 -4.7019 3  453.2580107  72503 303531241      521340        s-trans-Propenoic acid
  405471.6390  0.0297 -4.1530 3  551.3842107  72503 303532528      522527        s-trans-Propenoic acid
  405471.6390  0.0297 -4.1530 3  551.3842107  72503 303532529      522528        s-trans-Propenoic acid
  405505.2744  0.2325 -5.4129 3  951.3418147  72503 303733142      733043        s-trans-Propenoic acid
  405505.2745  0.2325 -5.4129 3  951.3418147  72503 303733143      733044        s-trans-Propenoic acid
  405547.0118  0.4879 -5.8909 3 1232.2469173  72503 303863254      863155        s-trans-Propenoic acid
  405547.0577  0.4879 -5.8909 3 1232.2468173  72503 303863255      863156        s-trans-Propenoic acid
  405602.7956  0.0940 -4.8981 3  537.0834 95  72503 303473017      472918        s-trans-Propenoic acid
  405602.7956  0.0940 -4.8981 3  537.0834 95  72503 303473018      472919        s-trans-Propenoic acid
  405822.1661  0.0045 -5.3414 3  145.9777 53  72503 30326 720      25 421        s-trans-Propenoic acid
  405872.2418  0.0938 -4.8950 3  525.1789 93  72503 303463016      462917        s-trans-Propenoic acid
  405872.2418  0.0938 -4.8950 3  525.1789 93  72503 303463017      462918        s-trans-Propenoic acid
  406125.7381  0.0938 -4.8938 3  513.5322 91  72503 303453015      452916        s-trans-Propenoic acid
  406125.7381  0.0938 -4.8938 3  513.5322 91  72503 303453016      452917        s-trans-Propenoic acid
  406133.7521  0.0265 -4.1189 3  540.3276107  72503 303532429      522428        s-trans-Propenoic acid
  406133.7521  0.0265 -4.1189 3  540.3276107  72503 303532430      522429        s-trans-Propenoic acid
  406165.6791  0.0932 -5.7382 3 1088.9200177  72503 303881474      881375        s-trans-Propenoic acid
  406165.6800  0.0932 -5.7382 3 1088.9200177  72503 303881574      881475        s-trans-Propenoic acid
  406300.6129  0.0414 -5.3252 3  714.4217149  72503 30374 668      74 569        s-trans-Propenoic acid
  406300.6129  0.0414 -5.7648 3  714.4217149  72503 30374 668      74 669        s-trans-Propenoic acid
  406300.6129  0.0414 -5.7648 3  714.4217149  72503 30374 768      74 569        s-trans-Propenoic acid
  406300.6129  0.0414 -5.3252 3  714.4217149  72503 30374 768      74 669        s-trans-Propenoic acid
  406363.9921  0.0939 -4.8947 3  502.1432 89  72503 303443014      442915        s-trans-Propenoic acid
  406363.9921  0.0939 -4.8947 3  502.1432 89  72503 303443015      442916        s-trans-Propenoic acid
  406389.5114  0.0470 -5.4173 3  842.7442159  72503 30379 970      79 871        s-trans-Propenoic acid
  406389.5114  0.0470 -5.8809 3  842.7442159  72503 30379 970      79 971        s-trans-Propenoic acid
  406389.5114  0.0470 -5.8809 3  842.7442159  72503 303791070      79 871        s-trans-Propenoic acid
  406389.5114  0.0470 -5.4173 3  842.7442159  72503 303791070      79 971        s-trans-Propenoic acid
  406439.7394  0.0091 -5.9972 3  257.8517 75  72503 303371226      37 929        s-trans-Propenoic acid
  406445.9291  0.2202 -5.3819 3  932.6285145  72503 303723141      723042        s-trans-Propenoic acid
  406445.9291  0.2202 -5.3819 3  932.6285145  72503 303723142      723043        s-trans-Propenoic acid
  406519.2938  0.1696 -5.9722 3 1018.2451109  72503 3035451 3      5351 2        s-trans-Propenoic acid
  406519.2938  0.1696 -5.9722 3 1018.2451109  72503 3035451 4      5351 3        s-trans-Propenoic acid
  406587.6878  0.0941 -4.8980 3  491.0115 87  72503 303433013      432914        s-trans-Propenoic acid
  406587.6878  0.0941 -4.8980 3  491.0115 87  72503 303433014      432915        s-trans-Propenoic acid
  406634.3860  0.1141 -5.8250 3 1145.6403181  72503 303901575      901476        s-trans-Propenoic acid
  406634.3894  0.1141 -5.8250 3 1145.6403181  72503 303901675      901576        s-trans-Propenoic acid
  406649.4142  0.1626 -5.8027 3  995.0036109  72503 3035450 4      5350 3        s-trans-Propenoic acid
  406649.4142  0.1626 -5.8027 3  995.0036109  72503 3035450 5      5350 4        s-trans-Propenoic acid
  406714.9688  0.1696 -6.0135 3 1262.8828189  72503 303941777      941678        s-trans-Propenoic acid
  406715.0131  0.1696 -6.0135 3 1262.8828189  72503 303941877      941778        s-trans-Propenoic acid
  406782.7902  0.1558 -5.6623 3  972.2224109  72503 3035449 5      5349 4        s-trans-Propenoic acid
  406782.7902  0.1558 -5.6623 3  972.2224109  72503 3035449 6      5349 5        s-trans-Propenoic acid
  406797.4870  0.0943 -4.9039 3  480.1367 85  72503 303423012      422913        s-trans-Propenoic acid
  406797.4870  0.0943 -4.9039 3  480.1367 85  72503 303423013      422914        s-trans-Propenoic acid
  406823.3080  0.1394 -5.9168 3 1203.6302185  72503 303921676      921577        s-trans-Propenoic acid
  406823.3206  0.1394 -5.9168 3 1203.6302185  72503 303921776      921677        s-trans-Propenoic acid
  406891.0013  0.0234 -4.0863 3  529.7689107  72503 303532331      522330        s-trans-Propenoic acid
  406891.0015  0.0234 -4.0863 3  529.7689107  72503 303532330      522329        s-trans-Propenoic acid
  406919.7976  0.1490 -5.5406 3  949.9018109  72503 3035448 6      5348 5        s-trans-Propenoic acid
  406919.7976  0.1490 -5.5406 3  949.9018109  72503 3035448 7      5348 6        s-trans-Propenoic acid
  406991.0797  0.0079 -3.9156 3  463.9829105  72503 303521736      511735        s-trans-Propenoic acid
  406994.0298  0.0946 -4.9128 3  469.5187 83  72503 303413011      412912        s-trans-Propenoic acid
  406994.0298  0.0946 -4.9128 3  469.5187 83  72503 303413012      412913        s-trans-Propenoic acid
  407060.8536  0.1424 -5.4321 3  928.0420109  72503 3035447 7      5347 6        s-trans-Propenoic acid
  407060.8536  0.1424 -5.4321 3  928.0420109  72503 3035447 8      5347 7        s-trans-Propenoic acid
  407072.5179  0.4628 -5.8497 3 1210.0458171  72503 303853253      853154        s-trans-Propenoic acid
  407072.5408  0.4628 -5.8497 3 1210.0458171  72503 303853254      853155        s-trans-Propenoic acid
  407091.4299  0.0093 -3.8245 3  419.9152101  72503 303501436      491435        s-trans-Propenoic acid
  407177.9359  0.0950 -4.9250 3  459.1571 81  72503 303403010      402911        s-trans-Propenoic acid
  407177.9359  0.0950 -4.9250 3  459.1571 81  72503 303403011      402912        s-trans-Propenoic acid
  407206.4220  0.1360 -5.3335 3  906.6435109  72503 3035446 8      5346 7        s-trans-Propenoic acid
  407206.4220  0.1360 -5.3335 3  906.6435109  72503 3035446 9      5346 8        s-trans-Propenoic acid
  407323.8838  0.0406 -5.3402 3  638.7139143  72503 30371 467      71 368        s-trans-Propenoic acid
  407323.8838  0.0406 -5.7644 3  638.7139143  72503 30371 467      71 468        s-trans-Propenoic acid
  407323.8838  0.0406 -5.7644 3  638.7139143  72503 30371 567      71 368        s-trans-Propenoic acid
  407323.8838  0.0406 -5.3402 3  638.7139143  72503 30371 567      71 468        s-trans-Propenoic acid
  407328.5453  0.0080 -3.9150 3  463.9969105  72503 303521735      511734        s-trans-Propenoic acid
  407343.6127  0.2087 -5.3516 3  914.1831143  72503 303713140      713041        s-trans-Propenoic acid
  407343.6127  0.2087 -5.3516 3  914.1831143  72503 303713141      713042        s-trans-Propenoic acid
  407349.8052  0.0953 -4.9413 3  449.0517 79  72503 3033930 9      392910        s-trans-Propenoic acid
  407349.8052  0.0953 -4.9413 3  449.0517 79  72503 303393010      392911        s-trans-Propenoic acid
  407357.0197  0.1297 -5.2428 3  885.7065109  72503 3035445 9      5345 8        s-trans-Propenoic acid
  407357.0197  0.1297 -5.2428 3  885.7065109  72503 303544510      5345 9        s-trans-Propenoic acid
  407510.2182  0.0957 -4.9622 3  439.2023 77  72503 3033830 8      3829 9        s-trans-Propenoic acid
  407510.2182  0.0957 -4.9622 3  439.2023 77  72503 3033830 9      382910        s-trans-Propenoic acid
  407513.2246  0.1235 -5.1585 3  865.2315109  72503 303544410      5344 9        s-trans-Propenoic acid
  407513.2246  0.1235 -5.1585 3  865.2315109  72503 303544411      534410        s-trans-Propenoic acid
  407556.8570  0.0128 -3.8546 3  495.0023127  72503 30363 261      62 260        s-trans-Propenoic acid
  407556.8570  0.0128 -4.2704 3  495.0023127  72503 30363 261      62 360        s-trans-Propenoic acid
  407556.8570  0.0128 -4.2704 3  495.0023127  72503 30363 361      62 260        s-trans-Propenoic acid
  407556.8570  0.0128 -3.8546 3  495.0023127  72503 30363 361      62 360        s-trans-Propenoic acid
  407558.2592  0.0151 -3.8471 3  496.0351129  72503 30364 163      63 162        s-trans-Propenoic acid
  407558.2592  0.0151 -4.2468 3  496.0351129  72503 30364 163      63 262        s-trans-Propenoic acid
  407558.2592  0.0151 -4.2468 3  496.0351129  72503 30364 263      63 162        s-trans-Propenoic acid
  407558.2592  0.0151 -3.8471 3  496.0351129  72503 30364 263      63 262        s-trans-Propenoic acid
  407562.1572  0.0188 -3.8387 3  496.5536131  72503 30365 065      64 064        s-trans-Propenoic acid
  407562.1572  0.0188 -4.2237 3  496.5536131  72503 30365 065      64 164        s-trans-Propenoic acid
  407562.1572  0.0188 -4.2237 3  496.5536131  72503 30365 165      64 064        s-trans-Propenoic acid
  407562.1572  0.0188 -3.8387 3  496.5536131  72503 30365 165      64 164        s-trans-Propenoic acid
  407562.7714  0.0114 -3.8610 3  493.4485125  72503 30362 359      61 358        s-trans-Propenoic acid
  407562.7714  0.0114 -4.2947 3  493.4485125  72503 30362 359      61 458        s-trans-Propenoic acid
  407562.7714  0.0114 -4.2947 3  493.4485125  72503 30362 459      61 358        s-trans-Propenoic acid
  407562.7714  0.0114 -3.8610 3  493.4485125  72503 30362 459      61 458        s-trans-Propenoic acid
  407564.4478  0.0201 -4.1065 3  180.8403 41  72503 3032019 1      1918 2        s-trans-Propenoic acid
  407564.4478  0.0201 -4.1065 3  180.8403 41  72503 3032019 2      1918 1        s-trans-Propenoic acid
  407582.7925  0.0106 -3.8665 3  491.3652123  72503 30361 457      60 456        s-trans-Propenoic acid
  407582.7925  0.0106 -4.3200 3  491.3652123  72503 30361 457      60 556        s-trans-Propenoic acid
  407582.7925  0.0106 -4.3200 3  491.3652123  72503 30361 557      60 456        s-trans-Propenoic acid
  407582.7925  0.0106 -3.8665 3  491.3652123  72503 30361 557      60 556        s-trans-Propenoic acid
  407626.1528  0.0425 -5.4875 3  566.0795137  72503 30368 266      68 167        s-trans-Propenoic acid
  407626.1528  0.0425 -5.8971 3  566.0795137  72503 30368 266      68 267        s-trans-Propenoic acid
  407626.1528  0.0425 -5.8971 3  566.0795137  72503 30368 366      68 167        s-trans-Propenoic acid
  407626.1528  0.0425 -5.4875 3  566.0795137  72503 30368 366      68 267        s-trans-Propenoic acid
  407626.6700  0.0100 -3.8709 3  488.7419121  72503 30360 555      59 554        s-trans-Propenoic acid
  407626.6700  0.0100 -4.3467 3  488.7419121  72503 30360 555      59 654        s-trans-Propenoic acid
  407626.6700  0.0100 -4.3467 3  488.7419121  72503 30360 655      59 554        s-trans-Propenoic acid
  407626.6700  0.0100 -3.8709 3  488.7419121  72503 30360 655      59 654        s-trans-Propenoic acid
  407659.7368  0.0962 -4.9889 3  429.6085 75  72503 3033730 7      3729 8        s-trans-Propenoic acid
  407659.7368  0.0962 -4.9889 3  429.6085 75  72503 3033730 8      3729 9        s-trans-Propenoic acid
  407675.6843  0.1175 -5.0795 3  845.2189109  72503 303544311      534310        s-trans-Propenoic acid
  407675.6843  0.1175 -5.0795 3  845.2189109  72503 303544312      534311        s-trans-Propenoic acid
  407688.7907  0.0230 -5.8977 3  374.8506 91  72503 303451729      451530        s-trans-Propenoic acid
  407708.7546  0.0095 -4.3752 3  485.5650119  72503 30359 653      58 752        s-trans-Propenoic acid
  407708.7546  0.0095 -3.8741 3  485.5650119  72503 30359 753      58 752        s-trans-Propenoic acid
  407708.7547  0.0095 -3.8741 3  485.5650119  72503 30359 653      58 652        s-trans-Propenoic acid
  407708.7547  0.0095 -4.3752 3  485.5650119  72503 30359 753      58 652        s-trans-Propenoic acid
  407766.5933  0.0204 -4.0550 3  519.7162107  72503 303532232      522231        s-trans-Propenoic acid
  407766.5978  0.0204 -4.0550 3  519.7162107  72503 303532231      522230        s-trans-Propenoic acid
  407798.9053  0.0966 -5.0227 3  420.2701 73  72503 3033630 6      3629 7        s-trans-Propenoic acid
  407798.9053  0.0966 -5.0227 3  420.2701 73  72503 3033630 7      3629 8        s-trans-Propenoic acid
  407842.2439  0.0574 -5.7832 3  443.7678103  72503 303511635      511338        s-trans-Propenoic acid
  407845.1265  0.1116 -5.0052 3  825.6690109  72503 303544212      534211        s-trans-Propenoic acid
  407845.1265  0.1116 -5.0052 3  825.6690109  72503 303544213      534212        s-trans-Propenoic acid
  407850.8688  0.0089 -4.4063 3  481.8168117  72503 30358 751      57 850        s-trans-Propenoic acid
  407850.8700  0.0089 -3.8761 3  481.8168117  72503 30358 851      57 850        s-trans-Propenoic acid
  407850.8712  0.0089 -3.8761 3  481.8168117  72503 30358 751      57 750        s-trans-Propenoic acid
  407850.8724  0.0089 -4.4063 3  481.8168117  72503 30358 851      57 750        s-trans-Propenoic acid
  407928.2500  0.0971 -5.0658 3  411.1869 71  72503 3033530 5      3529 6        s-trans-Propenoic acid
  407928.2500  0.0971 -5.0658 3  411.1869 71  72503 3033530 6      3529 7        s-trans-Propenoic acid
  408009.9510  0.0451 -5.7385 3  515.7404113  72503 303561640      561343        s-trans-Propenoic acid
  408022.3718  0.1058 -4.9348 3  806.5825109  72503 303544113      534112        s-trans-Propenoic acid
  408022.3718  0.1058 -4.9348 3  806.5825109  72503 303544114      534113        s-trans-Propenoic acid
  408048.2805  0.0975 -5.1214 3  402.3586 69  72503 3033430 4      3429 5        s-trans-Propenoic acid
  408048.2805  0.0975 -5.1214 3  402.3586 69  72503 3033430 5      3429 6        s-trans-Propenoic acid
  408067.2715  0.0110 -4.6858 3  310.2371 85  72503 303421231      411130        s-trans-Propenoic acid
  408087.6428  0.0083 -4.4410 3  477.4735115  72503 30357 849      56 948        s-trans-Propenoic acid
  408087.6865  0.0083 -3.8766 3  477.4735115  72503 30357 949      56 948        s-trans-Propenoic acid
  408087.7275  0.0083 -3.8766 3  477.4735115  72503 30357 849      56 848        s-trans-Propenoic acid
  408087.7712  0.0083 -4.4410 3  477.4735115  72503 30357 949      56 848        s-trans-Propenoic acid
  408090.5878  0.0520 -5.4741 3  893.6406163  72503 303811071      81 972        s-trans-Propenoic acid
  408090.5878  0.0520 -5.9457 3  893.6406163  72503 303811071      811072        s-trans-Propenoic acid
  408090.5878  0.0520 -5.9457 3  893.6406163  72503 303811171      81 972        s-trans-Propenoic acid
  408090.5878  0.0520 -5.4741 3  893.6406163  72503 303811171      811072        s-trans-Propenoic acid
  408146.8141  0.0317 -5.8670 3  389.1900 97  72503 303481335      481038        s-trans-Propenoic acid
  408159.4898  0.0980 -5.1950 3  393.7851 67  72503 3033330 3      3329 4        s-trans-Propenoic acid
  408159.4898  0.0980 -5.1950 3  393.7851 67  72503 3033330 4      3329 5        s-trans-Propenoic acid
  408200.1837  0.1979 -5.3223 3  896.0050141  72503 303703139      703040        s-trans-Propenoic acid
  408200.1838  0.1979 -5.3223 3  896.0050141  72503 303703140      703041        s-trans-Propenoic acid
  408208.3482  0.1002 -4.8681 3  787.9598109  72503 303544014      534013        s-trans-Propenoic acid
  408208.3482  0.1002 -4.8681 3  787.9598109  72503 303544015      534014        s-trans-Propenoic acid
  408262.3546  0.0985 -5.2969 3  385.4661 65  72503 3033230 2      3229 3        s-trans-Propenoic acid
  408262.3546  0.0985 -5.2969 3  385.4661 65  72503 3033230 3      3229 4        s-trans-Propenoic acid
  408341.7566  0.0034 -4.4552 3  229.6436 69  72503 303341223      331122        s-trans-Propenoic acid
  408352.4814  0.0565 -5.9355 3  499.0788109  72503 303541836      541639        s-trans-Propenoic acid
  408357.3359  0.0990 -5.4502 3  377.4014 63  72503 3033130 1      3129 2        s-trans-Propenoic acid
  408357.3359  0.0990 -5.4502 3  377.4014 63  72503 3033130 2      3129 3        s-trans-Propenoic acid
  408404.1093  0.0947 -4.8045 3  769.8015109  72503 303543915      533914        s-trans-Propenoic acid
  408404.1093  0.0947 -4.8045 3  769.8015109  72503 303543916      533915        s-trans-Propenoic acid
  408444.8789  0.0994 -5.7286 3  369.5908 61  72503 3033030 0      3029 1        s-trans-Propenoic acid
  408444.8789  0.0994 -5.7286 3  369.5908 61  72503 3033030 1      3029 2        s-trans-Propenoic acid
  408447.5383  0.0227 -5.8962 3  374.8255 91  72503 303451728      451531        s-trans-Propenoic acid
  408476.1466  0.0077 -4.4809 3  472.5019113  72503 30356 947      551046        s-trans-Propenoic acid
  408477.4132  0.0077 -3.8756 3  472.5019113  72503 303561047      551046        s-trans-Propenoic acid
  408478.5147  0.0077 -3.8756 3  472.5018113  72503 30356 947      55 946        s-trans-Propenoic acid
  408479.7813  0.0077 -4.4809 3  472.5018113  72503 303561047      55 946        s-trans-Propenoic acid
  408525.5001  0.0055 -4.7423 3  221.1951 69  72503 303341024      33 925        s-trans-Propenoic acid
  408529.1794  0.4389 -5.8093 3 1188.1197169  72503 303843252      843153        s-trans-Propenoic acid
  408529.1906  0.4389 -5.8093 3 1188.1197169  72503 303843253      843154        s-trans-Propenoic acid
  408575.3194  0.0092 -3.8565 3  438.0949103  72503 303511536      501535        s-trans-Propenoic acid
  408610.8553  0.0893 -4.7439 3  752.1081109  72503 303543816      533815        s-trans-Propenoic acid
  408610.8553  0.0893 -4.7439 3  752.1081109  72503 303543817      533816        s-trans-Propenoic acid
  408619.2334  0.0445 -5.3530 3  761.9966153  72503 30376 769      76 670        s-trans-Propenoic acid
  408619.2334  0.0445 -5.8001 3  761.9966153  72503 30376 769      76 770        s-trans-Propenoic acid
  408619.2334  0.0445 -5.8001 3  761.9966153  72503 30376 869      76 670        s-trans-Propenoic acid
  408619.2334  0.0445 -5.3530 3  761.9966153  72503 30376 869      76 770        s-trans-Propenoic acid
  408735.4989  0.0039 -5.8202 3  131.7077 45  72503 303221012      21 813        s-trans-Propenoic acid
  408792.5126  0.0176 -4.0250 3  510.1795107  72503 303532133      522132        s-trans-Propenoic acid
  408792.5774  0.0176 -4.0250 3  510.1795107  72503 303532132      522131        s-trans-Propenoic acid
  408802.2885  0.0159 -4.1359 3  183.1060 45  72503 3032218 4      2117 5        s-trans-Propenoic acid
  408802.2885  0.0159 -4.1359 3  183.1060 45  72503 3032218 5      2117 4        s-trans-Propenoic acid
  408829.9588  0.0841 -4.6860 3  734.8805109  72503 303543717      533716        s-trans-Propenoic acid
  408829.9588  0.0841 -4.6860 3  734.8805109  72503 303543718      533717        s-trans-Propenoic acid
  409017.3980  0.1879 -5.2937 3  878.0938139  72503 303693138      693039        s-trans-Propenoic acid
  409017.3980  0.1879 -5.2937 3  878.0938139  72503 303693139      693040        s-trans-Propenoic acid
  409062.9971  0.0790 -4.6306 3  718.1194109  72503 303543618      533617        s-trans-Propenoic acid
  409062.9971  0.0790 -4.6306 3  718.1194109  72503 303543619      533618        s-trans-Propenoic acid
  409091.4857  0.0071 -4.5290 3  466.8530111  72503 303551045      541144        s-trans-Propenoic acid
  409119.7585  0.0071 -3.8725 3  466.8530111  72503 303551145      541144        s-trans-Propenoic acid
  409142.0962  0.0071 -3.8724 3  466.8513111  72503 303551045      541044        s-trans-Propenoic acid
  409170.3690  0.0071 -4.5289 3  466.8513111  72503 303551145      541044        s-trans-Propenoic acid
  409265.9801  0.0063 -3.8422 3  439.3161105  72503 303521240      511239        s-trans-Propenoic acid
  409290.4903  0.0068 -3.8909 3  457.2695105  72503 303521637      511636        s-trans-Propenoic acid
  409311.7903  0.0740 -4.5775 3  701.8256109  72503 303543519      533518        s-trans-Propenoic acid
  409311.7903  0.0740 -4.5775 3  701.8256109  72503 303543520      533519        s-trans-Propenoic acid
  409358.3708  0.0041 -5.5818 3  152.8035 53  72503 30326 918      25 719        s-trans-Propenoic acid
  409408.9960  0.0038 -5.8192 3  131.6850 45  72503 303221013      21 814        s-trans-Propenoic acid
  409437.8634  0.0052 -3.8573 3  445.4540105  72503 303521439      511438        s-trans-Propenoic acid
  409539.1098  0.1507 -5.4094 3  652.2257129  72503 303641747      631846        s-trans-Propenoic acid
  409576.2111  0.0589 -5.5383 3  945.8393167  72503 303831172      831073        s-trans-Propenoic acid
  409576.2111  0.0589 -6.0181 3  945.8393167  72503 303831172      831173        s-trans-Propenoic acid
  409576.2112  0.0589 -6.0181 3  945.8393167  72503 303831272      831073        s-trans-Propenoic acid
  409576.2112  0.0589 -5.5383 3  945.8393167  72503 303831272      831173        s-trans-Propenoic acid
  409578.4498  0.0692 -4.5266 3  686.0001109  72503 303543420      533419        s-trans-Propenoic acid
  409578.4498  0.0692 -4.5266 3  686.0001109  72503 303543421      533420        s-trans-Propenoic acid
  409649.2092  0.0061 -4.5926 3  460.4562109  72503 303541143      531242        s-trans-Propenoic acid
  409664.6482  0.0062 -5.3334 3  152.3471 55  72503 30327 621      26 522        s-trans-Propenoic acid
  409689.5292  0.0055 -3.8061 3  416.2145101  72503 303501337      491336        s-trans-Propenoic acid
  409796.9170  0.1786 -5.2660 3  860.4488137  72503 303683137      683038        s-trans-Propenoic acid
  409796.9170  0.1786 -5.2660 3  860.4488137  72503 303683138      683039        s-trans-Propenoic acid
  409865.4385  0.0645 -4.4778 3  670.6442109  72503 303543321      533320        s-trans-Propenoic acid
  409865.4385  0.0645 -4.4778 3  670.6442109  72503 303543322      533321        s-trans-Propenoic acid
  409920.5327  0.4161 -5.7697 3 1166.4677167  72503 303833251      833152        s-trans-Propenoic acid
  409920.5382  0.4161 -5.7697 3 1166.4677167  72503 303833252      833153        s-trans-Propenoic acid
  410000.6635  0.0122 -4.1676 3  186.8783 49  72503 3032417 7      2316 8        s-trans-Propenoic acid
  410000.6635  0.0122 -4.1676 3  186.8783 49  72503 3032417 8      2316 7        s-trans-Propenoic acid
  410001.2581  0.0062 -5.6985 3  152.3359 55  72503 30327 621      26 422        s-trans-Propenoic acid
  410014.5060  0.0149 -3.9962 3  501.1726107  72503 303532034      522033        s-trans-Propenoic acid
  410015.3151  0.0149 -3.9962 3  501.1726107  72503 303532033      522032        s-trans-Propenoic acid
  410016.5937  0.0431 -5.3332 3  684.2518147  72503 30373 568      73 469        s-trans-Propenoic acid
  410016.5937  0.0431 -5.7647 3  684.2518147  72503 30373 568      73 569        s-trans-Propenoic acid
  410016.5937  0.0431 -5.7647 3  684.2518147  72503 30373 668      73 469        s-trans-Propenoic acid
  410016.5937  0.0431 -5.3332 3  684.2518147  72503 30373 668      73 569        s-trans-Propenoic acid
  410122.6514  0.0064 -3.8669 3  460.4562109  72503 303541243      531242        s-trans-Propenoic acid
  410175.6464  0.0600 -4.4310 3  655.7590109  72503 303543222      533221        s-trans-Propenoic acid
  410175.6464  0.0600 -4.4310 3  655.7590109  72503 303543223      533222        s-trans-Propenoic acid
  410451.2164  0.0066 -3.8662 3  460.4295109  72503 303541143      531142        s-trans-Propenoic acid
  410512.4882  0.0556 -4.3860 3  641.3460109  72503 303543123      533122        s-trans-Propenoic acid
  410512.4882  0.0556 -4.3860 3  641.3460109  72503 303543124      533123        s-trans-Propenoic acid
  410540.3160  0.1699 -5.2392 3  843.0695135  72503 303673136      673037        s-trans-Propenoic acid
  410540.3160  0.1699 -5.2392 3  843.0695135  72503 303673137      673038        s-trans-Propenoic acid
  410628.7336  0.0479 -5.7225 3  537.9594135  72503 30367 166      67 067        s-trans-Propenoic acid
  410628.7336  0.0479 -5.7225 3  537.9594135  72503 30367 266      67 167        s-trans-Propenoic acid
  410664.1102  0.0433 -5.3965 3  609.5576141  72503 30370 367      70 268        s-trans-Propenoic acid
  410664.1102  0.0433 -5.8132 3  609.5576141  72503 30370 367      70 368        s-trans-Propenoic acid
  410664.1102  0.0433 -5.8132 3  609.5576141  72503 30370 467      70 268        s-trans-Propenoic acid
  410664.1102  0.0433 -5.3965 3  609.5576141  72503 30370 467      70 368        s-trans-Propenoic acid
  410726.1501  0.0060 -3.8701 3  451.1601105  72503 303521538      511537        s-trans-Propenoic acid
  410746.8540  0.0478 -5.3927 3  810.8919157  72503 30378 870      78 771        s-trans-Propenoic acid
  410746.8540  0.0478 -5.8474 3  810.8919157  72503 30378 870      78 871        s-trans-Propenoic acid
  410746.8540  0.0478 -5.8474 3  810.8919157  72503 30378 970      78 771        s-trans-Propenoic acid
  410746.8540  0.0478 -5.3927 3  810.8919157  72503 30378 970      78 871        s-trans-Propenoic acid
  410837.7026  0.0686 -5.6093 3  999.3342171  72503 303851273      851174        s-trans-Propenoic acid
  410837.7026  0.0686 -5.6093 3  999.3342171  72503 303851373      851274        s-trans-Propenoic acid
  410877.4074  0.0036 -4.5857 3  234.1158 71  72503 303351124      341025        s-trans-Propenoic acid
  410880.0282  0.0513 -4.3429 3  627.4070109  72503 303543024      533023        s-trans-Propenoic acid
  410880.0282  0.0513 -4.3429 3  627.4070109  72503 303543025      533024        s-trans-Propenoic acid
  410924.6586  0.0071 -4.5898 3  460.4295109  72503 303541243      531142        s-trans-Propenoic acid
  411051.9256  0.0057 -3.8597 3  453.2580107  72503 303531341      521340        s-trans-Propenoic acid
  411105.4675  0.0092 -4.2030 3  192.1766 53  72503 303261610      251511        s-trans-Propenoic acid
  411105.4675  0.0092 -4.2030 3  192.1766 53  72503 303261611      251510        s-trans-Propenoic acid
  411110.0852  0.0032 -4.4507 3  229.5679 69  72503 303341222      331123        s-trans-Propenoic acid
  411117.4156  0.1085 -6.0131 3  565.5680117  72503 303581940      581741        s-trans-Propenoic acid
  411249.0904  0.1620 -5.2132 3  825.9555133  72503 303663135      663036        s-trans-Propenoic acid
  411249.0904  0.1620 -5.2132 3  825.9555133  72503 303663136      663037        s-trans-Propenoic acid
  411249.8465  0.3944 -5.7310 3 1145.0891165  72503 303823250      823151        s-trans-Propenoic acid
  411249.8491  0.3944 -5.7310 3 1145.0891165  72503 303823251      823152        s-trans-Propenoic acid
  411283.1449  0.0471 -4.3015 3  613.9441109  72503 303542925      532924        s-trans-Propenoic acid
  411283.1449  0.0471 -4.3015 3  613.9441109  72503 303542926      532925        s-trans-Propenoic acid
  411369.3301  0.0079 -3.8867 3  457.3719105  72503 303521636      511635        s-trans-Propenoic acid
  411396.4291  0.0213 -5.9022 3  363.1096 89  72503 303441728      441529        s-trans-Propenoic acid
  411499.6409  0.0124 -3.9685 3  492.7143107  72503 303531935      521934        s-trans-Propenoic acid
  411508.3255  0.0124 -3.9685 3  492.7146107  72503 303531934      521933        s-trans-Propenoic acid
  411727.7502  0.0431 -4.2617 3  600.9596109  72503 303542826      532825        s-trans-Propenoic acid
  411727.7502  0.0431 -4.2617 3  600.9596109  72503 303542827      532826        s-trans-Propenoic acid
  411807.4716  0.0211 -5.9014 3  363.0960 89  72503 303441727      441530        s-trans-Propenoic acid
  411843.5312  0.0518 -5.9266 3  471.0937105  72503 303521835      521636        s-trans-Propenoic acid
  411865.3087  0.0816 -5.6863 3 1054.1190175  72503 303871374      871275        s-trans-Propenoic acid
  411865.3088  0.0816 -5.6863 3 1054.1190175  72503 303871474      871375        s-trans-Propenoic acid
  411924.6622  0.1547 -5.1882 3  809.1062131  72503 303653134      653035        s-trans-Propenoic acid
  411924.6622  0.1547 -5.1882 3  809.1062131  72503 303653135      653036        s-trans-Propenoic acid
  412013.0363  0.0067 -4.2441 3  199.0303 57  72503 303281514      271413        s-trans-Propenoic acid
  412013.0413  0.0067 -4.2441 3  199.0303 57  72503 303281513      271414        s-trans-Propenoic acid
  412014.8408  0.0189 -6.0084 3  299.0298 81  72503 303401426      401129        s-trans-Propenoic acid
  412132.4251  0.0036 -4.3586 3  217.6264 65  72503 303321320      311219        s-trans-Propenoic acid
  412203.3923  0.0036 -4.3585 3  217.6244 65  72503 303321319      311220        s-trans-Propenoic acid
  412221.0865  0.0392 -4.2236 3  588.4565109  72503 303542727      532726        s-trans-Propenoic acid
  412221.0865  0.0392 -4.2236 3  588.4565109  72503 303542728      532727        s-trans-Propenoic acid
  412516.8958  0.0048 -4.2940 3  207.4865 61  72503 303301417      291316        s-trans-Propenoic acid
  412517.7616  0.0048 -4.2940 3  207.4865 61  72503 303301416      291317        s-trans-Propenoic acid
  412520.1509  0.3738 -5.6931 3 1123.9831163  72503 303813249      813150        s-trans-Propenoic acid
  412520.1521  0.3738 -5.6931 3 1123.9831163  72503 303813250      813151        s-trans-Propenoic acid
  412531.5094  0.0461 -5.3470 3  731.1216151  72503 30375 669      75 570        s-trans-Propenoic acid
  412531.5094  0.0461 -5.7858 3  731.1216151  72503 30375 669      75 670        s-trans-Propenoic acid
  412531.5094  0.0461 -5.7858 3  731.1216151  72503 30375 769      75 570        s-trans-Propenoic acid
  412531.5094  0.0461 -5.3470 3  731.1216151  72503 30375 769      75 670        s-trans-Propenoic acid
  412568.3857  0.1480 -5.1640 3  792.5213129  72503 303643133      643034        s-trans-Propenoic acid
  412568.3857  0.1480 -5.1640 3  792.5213129  72503 303643134      643035        s-trans-Propenoic acid
  412648.0247  0.0986 -5.7690 3 1110.1875179  72503 303891475      891376        s-trans-Propenoic acid
  412648.0252  0.0986 -5.7690 3 1110.1875179  72503 303891575      891476        s-trans-Propenoic acid
  412669.0199  0.0520 -5.9254 3  484.8592107  72503 303531835      531638        s-trans-Propenoic acid
  412677.5139  0.0518 -5.4424 3  861.1017161  72503 30380 971      80 872        s-trans-Propenoic acid
  412677.5139  0.0518 -5.9048 3  861.1017161  72503 30380 971      80 972        s-trans-Propenoic acid
  412677.5139  0.0518 -5.9048 3  861.1017161  72503 303801071      80 872        s-trans-Propenoic acid
  412677.5139  0.0518 -5.4424 3  861.1017161  72503 303801071      80 972        s-trans-Propenoic acid
  412691.5274  0.0730 -5.7389 3  536.3181115  72503 303571740      571443        s-trans-Propenoic acid
  412772.1390  0.0355 -4.1870 3  576.4383109  72503 303542628      532627        s-trans-Propenoic acid
  412772.1390  0.0355 -4.1870 3  576.4383109  72503 303542629      532628        s-trans-Propenoic acid
  413066.7783  0.0044 -5.5826 3  156.0996 55  72503 30327 820      26 621        s-trans-Propenoic acid
  413160.4709  0.0402 -5.8266 3  433.6286103  72503 303511437      511140        s-trans-Propenoic acid
  413173.3764  0.1200 -5.8570 3 1167.5332183  72503 303911576      911477        s-trans-Propenoic acid
  413173.3783  0.1200 -5.8570 3 1167.5332183  72503 303911676      911577        s-trans-Propenoic acid
  413181.5521  0.1420 -5.1408 3  776.2001127  72503 303633132      633033        s-trans-Propenoic acid
  413181.5521  0.1420 -5.1408 3  776.2001127  72503 303633133      633034        s-trans-Propenoic acid
  413337.6188  0.0102 -3.9417 3  484.8314107  72503 303531836      521835        s-trans-Propenoic acid
  413370.9795  0.0094 -5.9861 3  267.5612 77  72503 303381227      38 930        s-trans-Propenoic acid
  413392.2219  0.0318 -4.1519 3  564.9093109  72503 303542529      532528        s-trans-Propenoic acid
  413392.2219  0.0318 -4.1519 3  564.9093109  72503 303542530      532529        s-trans-Propenoic acid
  413414.6975  0.0037 -4.4732 3  238.5762 71  72503 303351224      341123        s-trans-Propenoic acid
  413416.2321  0.0102 -3.9416 3  484.8343107  72503 303531835      521834        s-trans-Propenoic acid
  413427.1503  0.1460 -5.9501 3 1226.1494187  72503 303931677      931578        s-trans-Propenoic acid
  413427.1571  0.1460 -5.9501 3 1226.1494187  72503 303931777      931678        s-trans-Propenoic acid
  413504.2776  0.0098 -4.6610 3  299.0298 83  72503 303411230      401129        s-trans-Propenoic acid
  413534.9276  0.0453 -5.3598 3  654.3788145  72503 30372 468      72 369        s-trans-Propenoic acid
  413534.9276  0.0453 -5.7836 3  654.3788145  72503 30372 468      72 469        s-trans-Propenoic acid
  413534.9276  0.0453 -5.7836 3  654.3788145  72503 30372 568      72 369        s-trans-Propenoic acid
  413534.9276  0.0453 -5.3598 3  654.3788145  72503 30372 568      72 469        s-trans-Propenoic acid
  413628.4782  0.0635 -5.7375 3  551.7709117  72503 303581741      581444        s-trans-Propenoic acid
  413664.3110  0.0052 -5.2659 3  199.9971 65  72503 30332 923      31 724        s-trans-Propenoic acid
  413734.2627  0.3542 -5.6559 3 1103.1490161  72503 303803248      803149        s-trans-Propenoic acid
  413734.2633  0.3542 -5.6559 3 1103.1490161  72503 303803249      803150        s-trans-Propenoic acid
  413753.1086  0.0062 -4.6795 3  466.9693109  72503 303541242      531341        s-trans-Propenoic acid
  413765.3942  0.1365 -5.1185 3  760.1424125  72503 303623131      623032        s-trans-Propenoic acid
  413765.3942  0.1365 -5.1185 3  760.1424125  72503 303623132      623033        s-trans-Propenoic acid
  413766.0610  0.0140 -3.8630 3  508.5969129  72503 30364 262      63 261        s-trans-Propenoic acid
  413766.0610  0.0140 -4.2782 3  508.5969129  72503 30364 262      63 361        s-trans-Propenoic acid
  413766.0610  0.0140 -4.2782 3  508.5969129  72503 30364 362      63 261        s-trans-Propenoic acid
  413766.0610  0.0140 -3.8630 3  508.5969129  72503 30364 362      63 361        s-trans-Propenoic acid
  413767.7247  0.0166 -3.8557 3  509.6298131  72503 30365 164      64 163        s-trans-Propenoic acid
  413767.7247  0.0166 -4.2551 3  509.6298131  72503 30365 164      64 263        s-trans-Propenoic acid
  413767.7247  0.0166 -4.2551 3  509.6298131  72503 30365 264      64 163        s-trans-Propenoic acid
  413767.7247  0.0166 -3.8557 3  509.6298131  72503 30365 264      64 263        s-trans-Propenoic acid
  413771.3243  0.0125 -3.8693 3  507.0433127  72503 30363 360      62 359        s-trans-Propenoic acid
  413771.3243  0.0125 -4.3020 3  507.0433127  72503 30363 360      62 459        s-trans-Propenoic acid
  413771.3243  0.0125 -4.3020 3  507.0433127  72503 30363 460      62 359        s-trans-Propenoic acid
  413771.3243  0.0125 -3.8693 3  507.0433127  72503 30363 460      62 459        s-trans-Propenoic acid
  413771.6825  0.0206 -3.8474 3  510.1484133  72503 30366 066      65 065        s-trans-Propenoic acid
  413771.6825  0.0206 -4.2324 3  510.1484133  72503 30366 066      65 165        s-trans-Propenoic acid
  413771.6825  0.0206 -4.2324 3  510.1484133  72503 30366 166      65 065        s-trans-Propenoic acid
  413771.6825  0.0206 -3.8474 3  510.1484133  72503 30366 166      65 165        s-trans-Propenoic acid
  413789.9991  0.0116 -3.8746 3  504.9607125  72503 30362 458      61 457        s-trans-Propenoic acid
  413789.9991  0.0116 -4.3268 3  504.9607125  72503 30362 458      61 557        s-trans-Propenoic acid
  413789.9991  0.0116 -4.3268 3  504.9607125  72503 30362 558      61 457        s-trans-Propenoic acid
  413789.9991  0.0116 -3.8746 3  504.9607125  72503 30362 558      61 557        s-trans-Propenoic acid
  413829.8171  0.0474 -5.5050 3  580.7096139  72503 30369 267      69 168        s-trans-Propenoic acid
  413829.8171  0.0474 -5.9144 3  580.7096139  72503 30369 267      69 268        s-trans-Propenoic acid
  413829.8171  0.0474 -5.9144 3  580.7096139  72503 30369 367      69 168        s-trans-Propenoic acid
  413829.8171  0.0474 -5.5050 3  580.7096139  72503 30369 367      69 268        s-trans-Propenoic acid
  413831.3305  0.0109 -3.8789 3  502.3388123  72503 30361 556      60 555        s-trans-Propenoic acid
  413831.3305  0.0109 -4.3527 3  502.3388123  72503 30361 556      60 655        s-trans-Propenoic acid
  413831.3305  0.0109 -4.3527 3  502.3388123  72503 30361 656      60 555        s-trans-Propenoic acid
  413831.3305  0.0109 -3.8789 3  502.3388123  72503 30361 656      60 655        s-trans-Propenoic acid
  413908.8167  0.0104 -3.8820 3  499.1647121  72503 30360 654      59 653        s-trans-Propenoic acid
  413908.8167  0.0104 -4.3804 3  499.1647121  72503 30360 654      59 753        s-trans-Propenoic acid
  413908.8167  0.0104 -4.3804 3  499.1647121  72503 30360 754      59 653        s-trans-Propenoic acid
  413908.8167  0.0104 -3.8820 3  499.1647121  72503 30360 754      59 753        s-trans-Propenoic acid
  414042.7835  0.0098 -4.4105 3  495.4212119  72503 30359 752      58 851        s-trans-Propenoic acid
  414042.7841  0.0098 -3.8838 3  495.4212119  72503 30359 852      58 851        s-trans-Propenoic acid
  414042.7847  0.0098 -3.8838 3  495.4212119  72503 30359 752      58 751        s-trans-Propenoic acid
  414042.7853  0.0098 -4.4105 3  495.4212119  72503 30359 852      58 751        s-trans-Propenoic acid
  414095.8368  0.0284 -4.1183 3  553.8747109  72503 303542431      532430        s-trans-Propenoic acid
  414095.8369  0.0284 -4.1183 3  553.8747109  72503 303542430      532429        s-trans-Propenoic acid
  414097.0205  0.1820 -5.8636 3 1031.8051111  72503 3035551 4      5451 3        s-trans-Propenoic acid
  414097.0205  0.1820 -5.8636 3 1031.8051111  72503 3035551 5      5451 4        s-trans-Propenoic acid
  414172.5403  0.0069 -3.8522 3  452.9678107  72503 303531241      521240        s-trans-Propenoic acid
  414232.2805  0.1744 -5.7221 3 1008.5680111  72503 3035550 5      5450 4        s-trans-Propenoic acid
  414232.2805  0.1744 -5.7221 3 1008.5680111  72503 3035550 6      5450 5        s-trans-Propenoic acid
  414265.1088  0.0092 -4.4439 3  491.0859117  72503 30358 850      57 949        s-trans-Propenoic acid
  414265.1312  0.0092 -3.8843 3  491.0859117  72503 30358 950      57 949        s-trans-Propenoic acid
  414265.1525  0.0092 -3.8843 3  491.0859117  72503 30358 850      57 849        s-trans-Propenoic acid
  414265.1749  0.0092 -4.4439 3  491.0859117  72503 30358 950      57 849        s-trans-Propenoic acid
  414265.7189  0.0040 -5.7636 3  137.4230 47  72503 303231013      22 814        s-trans-Propenoic acid
  414321.0908  0.1316 -5.0971 3  744.3476123  72503 303613130      613031        s-trans-Propenoic acid
  414321.0908  0.1316 -5.0971 3  744.3476123  72503 303613131      613032        s-trans-Propenoic acid
  414371.0267  0.1671 -5.5994 3  985.7913111  72503 3035549 6      5449 5        s-trans-Propenoic acid
  414371.0267  0.1671 -5.5994 3  985.7913111  72503 3035549 7      5449 6        s-trans-Propenoic acid
  414404.5919  0.0569 -5.5005 3  912.6201165  72503 303821072      82 973        s-trans-Propenoic acid
  414404.5919  0.0569 -5.9708 3  912.6201165  72503 303821072      821073        s-trans-Propenoic acid
  414404.5919  0.0569 -5.9708 3  912.6201165  72503 303821172      82 973        s-trans-Propenoic acid
  414404.5919  0.0569 -5.5005 3  912.6201165  72503 303821172      821073        s-trans-Propenoic acid
  414513.6567  0.1599 -5.4898 3  963.4752111  72503 3035548 7      5448 6        s-trans-Propenoic acid
  414513.6567  0.1599 -5.4898 3  963.4752111  72503 3035548 8      5448 7        s-trans-Propenoic acid
  414628.0026  0.0086 -4.4821 3  486.1272115  72503 30357 948      561047        s-trans-Propenoic acid
  414628.6760  0.0086 -3.8832 3  486.1272115  72503 303571048      561047        s-trans-Propenoic acid
  414629.2692  0.0086 -3.8832 3  486.1272115  72503 30357 948      56 947        s-trans-Propenoic acid
  414629.9426  0.0086 -4.4821 3  486.1272115  72503 303571048      56 947        s-trans-Propenoic acid
  414660.6119  0.1528 -5.3903 3  941.6201111  72503 3035547 8      5447 7        s-trans-Propenoic acid
  414660.6119  0.1528 -5.3903 3  941.6201111  72503 3035547 9      5447 8        s-trans-Propenoic acid
  414690.2139  0.0200 -5.9092 3  351.6559 87  72503 303431727      431528        s-trans-Propenoic acid
  414713.3178  0.2026 -5.5305 3  710.7408135  72503 303671849      661948        s-trans-Propenoic acid
  414812.3830  0.1459 -5.2985 3  920.2264111  72503 3035546 9      5446 8        s-trans-Propenoic acid
  414812.3830  0.1459 -5.2985 3  920.2264111  72503 303554610      5446 9        s-trans-Propenoic acid
  414849.7700  0.1272 -5.0767 3  728.8153121  72503 303603129      603030        s-trans-Propenoic acid
  414849.7700  0.1272 -5.0767 3  728.8153121  72503 303603130      603031        s-trans-Propenoic acid
  414863.9592  0.0492 -5.3761 3  779.3177155  72503 30377 770      77 671        s-trans-Propenoic acid
  414863.9592  0.0492 -5.8223 3  779.3177155  72503 30377 770      77 771        s-trans-Propenoic acid
  414863.9592  0.0492 -5.8223 3  779.3177155  72503 30377 870      77 671        s-trans-Propenoic acid
  414863.9592  0.0492 -5.3761 3  779.3177155  72503 30377 870      77 771        s-trans-Propenoic acid
  414894.8070  0.3356 -5.6196 3 1082.5861159  72503 303793247      793148        s-trans-Propenoic acid
  414894.8073  0.3356 -5.6196 3 1082.5861159  72503 303793248      793149        s-trans-Propenoic acid
  414901.9763  0.0250 -4.0861 3  543.3414109  72503 303542332      532331        s-trans-Propenoic acid
  414901.9770  0.0250 -4.0861 3  543.3414109  72503 303542331      532330        s-trans-Propenoic acid
  414907.5454  0.0199 -5.9088 3  351.6487 87  72503 303431726      431529        s-trans-Propenoic acid
  414969.5174  0.1391 -5.2132 3  899.2945111  72503 303554510      5445 9        s-trans-Propenoic acid
  414969.5174  0.1391 -5.2132 3  899.2945111  72503 303554511      544510        s-trans-Propenoic acid
  415108.7595  0.0198 -4.1027 3  185.8860 43  72503 3032119 2      2018 3        s-trans-Propenoic acid
  415108.7595  0.0198 -4.1027 3  185.8860 43  72503 3032119 3      2018 2        s-trans-Propenoic acid
  415132.6268  0.1325 -5.1332 3  878.8247111  72503 303554411      544410        s-trans-Propenoic acid
  415132.6268  0.1325 -5.1332 3  878.8247111  72503 303554412      544411        s-trans-Propenoic acid
  415208.6273  0.0079 -4.5276 3  480.4998113  72503 303561046      551145        s-trans-Propenoic acid
  415224.2965  0.0079 -3.8801 3  480.4998113  72503 303561146      551145        s-trans-Propenoic acid
  415236.9000  0.0079 -3.8801 3  480.4988113  72503 303561046      551045        s-trans-Propenoic acid
  415252.5693  0.0080 -4.5275 3  480.4988113  72503 303561146      551045        s-trans-Propenoic acid
  415302.3968  0.1260 -5.0578 3  858.8175111  72503 303554312      544311        s-trans-Propenoic acid
  415302.3968  0.1260 -5.0578 3  858.8175111  72503 303554313      544312        s-trans-Propenoic acid
  415352.5127  0.1234 -5.0573 3  713.5451119  72503 303593128      593029        s-trans-Propenoic acid
  415352.5127  0.1234 -5.0573 3  713.5451119  72503 303593129      593030        s-trans-Propenoic acid
  415393.0947  0.0055 -5.9432 3  122.2740 49  72503 30324 321      23 222        s-trans-Propenoic acid
  415473.7030  0.0054 -5.9431 3  122.2740 49  72503 30324 421      23 122        s-trans-Propenoic acid
  415479.5985  0.1196 -4.9864 3  839.2733111  72503 303554213      544212        s-trans-Propenoic acid
  415479.5985  0.1196 -4.9864 3  839.2733111  72503 303554214      544213        s-trans-Propenoic acid
  415569.1855  0.0085 -3.9159 3  477.5587107  72503 303531737      521736        s-trans-Propenoic acid
  415610.3108  0.0039 -5.7617 3  137.3775 47  72503 303231014      22 815        s-trans-Propenoic acid
  415665.1011  0.1135 -4.9186 3  820.1927111  72503 303554114      544113        s-trans-Propenoic acid
  415665.1011  0.1135 -4.9186 3  820.1927111  72503 303554115      544114        s-trans-Propenoic acid
  415830.3559  0.1200 -5.0389 3  698.5367117  72503 303583127      583028        s-trans-Propenoic acid
  415830.3559  0.1200 -5.0389 3  698.5367117  72503 303583128      583029        s-trans-Propenoic acid
  415836.1900  0.0218 -4.0551 3  533.3178109  72503 303542233      532232        s-trans-Propenoic acid
  415836.2002  0.0218 -4.0551 3  533.3178109  72503 303542232      532231        s-trans-Propenoic acid
  415859.8886  0.1074 -4.8540 3  801.5762111  72503 303554015      544014        s-trans-Propenoic acid
  415859.8886  0.1074 -4.8540 3  801.5762111  72503 303554016      544015        s-trans-Propenoic acid
  415897.4763  0.0070 -4.5863 3  474.1364111  72503 303551144      541243        s-trans-Propenoic acid
  415920.7139  0.0640 -5.5660 3  965.4413169  72503 303841173      841074        s-trans-Propenoic acid
  415920.7139  0.0640 -5.5660 3  965.4413169  72503 303841273      841174        s-trans-Propenoic acid
  416004.2363  0.3180 -5.5841 3 1062.2937157  72503 303783246      783147        s-trans-Propenoic acid
  416004.2365  0.3180 -5.5841 3 1062.2937157  72503 303783247      783148        s-trans-Propenoic acid
  416065.0777  0.1015 -4.7923 3  783.4244111  72503 303553916      543915        s-trans-Propenoic acid
  416065.0777  0.1015 -4.7923 3  783.4244111  72503 303553917      543916        s-trans-Propenoic acid
  416150.1154  0.0087 -3.9147 3  477.5839107  72503 303531736      521735        s-trans-Propenoic acid
  416173.8038  0.0072 -3.8747 3  474.1364111  72503 303551244      541243        s-trans-Propenoic acid
  416234.8850  0.0480 -5.3542 3  700.5376149  72503 30374 569      74 470        s-trans-Propenoic acid
  416234.8850  0.0480 -5.7851 3  700.5376149  72503 30374 569      74 570        s-trans-Propenoic acid
  416234.8850  0.0480 -5.7851 3  700.5376149  72503 30374 669      74 470        s-trans-Propenoic acid
  416234.8850  0.0480 -5.3542 3  700.5376149  72503 30374 669      74 570        s-trans-Propenoic acid
  416281.9417  0.0958 -4.7334 3  765.7379111  72503 303553817      543816        s-trans-Propenoic acid
  416281.9417  0.0958 -4.7334 3  765.7379111  72503 303553818      543817        s-trans-Propenoic acid
  416284.2952  0.1171 -5.0216 3  683.7896115  72503 303573126      573027        s-trans-Propenoic acid
  416284.2952  0.1171 -5.0216 3  683.7896115  72503 303573127      573028        s-trans-Propenoic acid
  416335.8493  0.0050 -3.8126 3  429.8803103  72503 303511338      501337        s-trans-Propenoic acid
  416338.2378  0.0156 -4.1323 3  188.6659 47  72503 3032318 5      2217 6        s-trans-Propenoic acid
  416338.2378  0.0156 -4.1323 3  188.6659 47  72503 3032318 6      2217 5        s-trans-Propenoic acid
  416370.9186  0.0074 -3.8742 3  474.1206111  72503 303551144      541143        s-trans-Propenoic acid
  416419.1705  0.0044 -5.2802 3  155.9877 55  72503 30327 820      26 521        s-trans-Propenoic acid
  416506.9823  0.0057 -3.8622 3  459.1114107  72503 303531440      521439        s-trans-Propenoic acid
  416511.9375  0.0901 -4.6769 3  748.5176111  72503 303553718      543717        s-trans-Propenoic acid
  416511.9375  0.0901 -4.6769 3  748.5176111  72503 303553719      543718        s-trans-Propenoic acid
  416647.2460  0.0077 -4.5846 3  474.1206111  72503 303551244      541143        s-trans-Propenoic acid
  416715.2875  0.1145 -5.0054 3  669.3034113  72503 303563125      563026        s-trans-Propenoic acid
  416715.2875  0.1145 -5.0054 3  669.3034113  72503 303563126      563027        s-trans-Propenoic acid
  416756.7400  0.0847 -4.6228 3  731.7642111  72503 303553619      543618        s-trans-Propenoic acid
  416756.7400  0.0847 -4.6228 3  731.7642111  72503 303553620      543619        s-trans-Propenoic acid
  416832.3647  0.0530 -5.7394 3  552.1755137  72503 30368 167      68 068        s-trans-Propenoic acid
  416832.3647  0.0530 -5.7394 3  552.1755137  72503 30368 267      68 168        s-trans-Propenoic acid
  416861.8054  0.0699 -5.1035 3  558.6778119  72503 303591544      581643        s-trans-Propenoic acid
  416869.5103  0.0483 -5.4155 3  624.8086143  72503 30371 368      71 269        s-trans-Propenoic acid
  416869.5103  0.0483 -5.8318 3  624.8086143  72503 30371 368      71 369        s-trans-Propenoic acid
  416869.5103  0.0483 -5.8318 3  624.8086143  72503 30371 468      71 269        s-trans-Propenoic acid
  416869.5103  0.0483 -5.4155 3  624.8086143  72503 30371 468      71 369        s-trans-Propenoic acid
  416934.0127  0.0187 -4.0255 3  523.8154109  72503 303542134      532133        s-trans-Propenoic acid
  416934.1514  0.0187 -4.0255 3  523.8154109  72503 303542133      532132        s-trans-Propenoic acid
  417008.7875  0.0527 -5.4171 3  828.8343159  72503 30379 871      79 772        s-trans-Propenoic acid
  417008.7875  0.0527 -5.8709 3  828.8343159  72503 30379 871      79 872        s-trans-Propenoic acid
  417008.7875  0.0527 -5.8709 3  828.8343159  72503 30379 971      79 772        s-trans-Propenoic acid
  417008.7875  0.0527 -5.4171 3  828.8343159  72503 30379 971      79 872        s-trans-Propenoic acid
  417018.2832  0.0794 -4.5708 3  715.4787111  72503 303553520      543519        s-trans-Propenoic acid
  417018.2832  0.0794 -4.5708 3  715.4787111  72503 303553521      543520        s-trans-Propenoic acid
  417064.8470  0.3014 -5.5494 3 1042.2712155  72503 303773245      773146        s-trans-Propenoic acid
  417064.8471  0.3014 -5.5494 3 1042.2712155  72503 303773246      773147        s-trans-Propenoic acid
  417079.9763  0.0170 -4.8002 3  487.1254111  72503 303551342      541441        s-trans-Propenoic acid
  417080.6681  0.0475 -5.9172 3  470.9220105  72503 303521834      521637        s-trans-Propenoic acid
  417124.2535  0.1124 -4.9903 3  655.0779111  72503 303553124      553025        s-trans-Propenoic acid
  417124.2535  0.1124 -4.9903 3  655.0779111  72503 303553125      553026        s-trans-Propenoic acid
  417185.5828  0.0094 -3.8209 3  433.4943103  72503 303511437      501436        s-trans-Propenoic acid
  417217.6420  0.0738 -5.6383 3 1019.5591173  72503 303861274      861175        s-trans-Propenoic acid
  417217.6420  0.0738 -5.6383 3 1019.5591173  72503 303861374      861275        s-trans-Propenoic acid
  417260.4796  0.0064 -3.8670 3  466.9693109  72503 303541342      531341        s-trans-Propenoic acid
  417298.8125  0.0742 -4.5210 3  699.6622111  72503 303553421      543420        s-trans-Propenoic acid
  417298.8125  0.0742 -4.5210 3  699.6622111  72503 303553422      543421        s-trans-Propenoic acid
  417373.5495  0.0071 -5.2085 3  169.8484 59  72503 30329 722      28 623        s-trans-Propenoic acid
  417505.3140  0.0041 -4.4957 3  247.8212 73  72503 303361225      351124        s-trans-Propenoic acid
  417512.0794  0.1106 -4.9764 3  641.1125109  72503 303543123      543024        s-trans-Propenoic acid
  417512.0794  0.1106 -4.9764 3  641.1125109  72503 303543124      543025        s-trans-Propenoic acid
  417516.3876  0.0120 -4.1647 3  192.9573 51  72503 3032517 8      2416 9        s-trans-Propenoic acid
  417516.3876  0.0120 -4.1647 3  192.9573 51  72503 3032517 9      2416 8        s-trans-Propenoic acid
  417556.1549  0.0053 -5.4720 3  142.0596 53  72503 30326 521      25 422        s-trans-Propenoic acid
  417598.3074  0.0053 -5.8512 3  142.0582 53  72503 30326 521      25 322        s-trans-Propenoic acid
  417600.9494  0.0692 -4.4731 3  684.3158111  72503 303553322      543321        s-trans-Propenoic acid
  417600.9494  0.0692 -4.4731 3  684.3158111  72503 303553323      543322        s-trans-Propenoic acid
  417642.4519  0.0191 -5.9186 3  340.4859 85  72503 303421726      421527        s-trans-Propenoic acid
  417664.9576  0.0824 -5.7618 3  521.0130113  72503 303561739      561442        s-trans-Propenoic acid
  417754.5905  0.0191 -5.9184 3  340.4822 85  72503 303421725      421528        s-trans-Propenoic acid
  417819.1104  0.0166 -4.6920 3  425.8208103  72503 303511339      501238        s-trans-Propenoic acid
  417824.9289  0.0084 -4.6285 3  288.1234 81  72503 303401229      391128        s-trans-Propenoic acid
  417827.8803  0.0074 -3.8918 3  470.9220107  72503 303531638      521637        s-trans-Propenoic acid
  417879.6194  0.1091 -4.9638 3  627.4070107  72503 303533122      533023        s-trans-Propenoic acid
  417879.6194  0.1091 -4.9638 3  627.4070107  72503 303533123      533024        s-trans-Propenoic acid
  417920.0675  0.0335 -5.9094 3  360.9102 91  72503 303451530      451233        s-trans-Propenoic acid
  417927.7734  0.0643 -4.4271 3  669.4409111  72503 303553223      543222        s-trans-Propenoic acid
  417927.7734  0.0643 -4.4271 3  669.4409111  72503 303553224      543223        s-trans-Propenoic acid
  417968.1578  0.0146 -4.6801 3  439.3161105  72503 303521340      511239        s-trans-Propenoic acid
  418078.7939  0.2856 -5.5155 3 1022.5180153  72503 303763244      763145        s-trans-Propenoic acid
  418078.7939  0.2856 -5.5155 3 1022.5180153  72503 303763245      763146        s-trans-Propenoic acid
  418227.0397  0.0052 -5.6647 3  132.0271 51  72503 30325 421      24 322        s-trans-Propenoic acid
  418227.6971  0.1079 -4.9524 3  613.9611105  72503 303523121      523022        s-trans-Propenoic acid
  418227.6971  0.1079 -4.9524 3  613.9611105  72503 303523122      523023        s-trans-Propenoic acid
  418246.7235  0.0159 -3.9970 3  514.8492109  72503 303542035      532034        s-trans-Propenoic acid
  418248.3661  0.0159 -3.9970 3  514.8493109  72503 303542034      532033        s-trans-Propenoic acid
  418282.9273  0.0595 -4.3829 3  655.0392111  72503 303553124      543123        s-trans-Propenoic acid
  418282.9273  0.0595 -4.3829 3  655.0392111  72503 303553125      543124        s-trans-Propenoic acid
  418286.1428  0.0871 -5.7166 3 1074.9674177  72503 303881375      881276        s-trans-Propenoic acid
  418286.1429  0.0871 -5.7166 3 1074.9674177  72503 303881475      881376        s-trans-Propenoic acid
  418317.6994  0.0456 -5.9166 3  457.3719103  72503 303511834      511635        s-trans-Propenoic acid
  418368.1997  0.0033 -4.4655 3  238.4426 71  72503 303351223      341124        s-trans-Propenoic acid
  418550.6936  0.0069 -5.5591 3  169.8092 59  72503 30329 722      28 523        s-trans-Propenoic acid
  418557.1071  0.1070 -4.9424 3  600.7743103  72503 303513120      513021        s-trans-Propenoic acid
  418557.1071  0.1070 -4.9424 3  600.7743103  72503 303513121      513022        s-trans-Propenoic acid
  418580.2423  0.0090 -4.2012 3  198.7817 55  72503 303271612      261511        s-trans-Propenoic acid
  418580.2424  0.0090 -4.2012 3  198.7817 55  72503 303271611      261512        s-trans-Propenoic acid
  418670.7532  0.0549 -4.3405 3  641.1125111  72503 303553025      543024        s-trans-Propenoic acid
  418670.7532  0.0549 -4.3405 3  641.1125111  72503 303553026      543025        s-trans-Propenoic acid
  418736.5067  0.0064 -3.8726 3  464.8604107  72503 303531539      521538        s-trans-Propenoic acid
  418737.6540  0.0042 -5.5452 3  159.5144 55  72503 30327 919      26 720        s-trans-Propenoic acid
  418759.8995  0.0511 -5.3693 3  748.0283153  72503 30376 670      76 571        s-trans-Propenoic acid
  418759.8995  0.0511 -5.8074 3  748.0283153  72503 30376 670      76 671        s-trans-Propenoic acid
  418759.8995  0.0511 -5.8074 3  748.0283153  72503 30376 770      76 571        s-trans-Propenoic acid
  418759.8995  0.0511 -5.3693 3  748.0283153  72503 30376 770      76 671        s-trans-Propenoic acid
  418791.7196  0.0493 -5.8013 3  480.7706109  72503 303541539      541242        s-trans-Propenoic acid
  418810.2952  0.2627 -5.6536 3  771.9861141  72503 303701951      692050        s-trans-Propenoic acid
  418835.2075  0.0051 -5.6638 3  132.0270 51  72503 30325 521      24 222        s-trans-Propenoic acid
  418868.6170  0.1063 -4.9338 3  587.8464101  72503 303503119      503020        s-trans-Propenoic acid
  418868.6170  0.1063 -4.9338 3  587.8464101  72503 303503120      503021        s-trans-Propenoic acid
  418960.2922  0.0569 -5.4681 3  879.6656163  72503 30381 972      81 873        s-trans-Propenoic acid
  418960.2922  0.0569 -5.9294 3  879.6656163  72503 30381 972      81 973        s-trans-Propenoic acid
  418960.2922  0.0569 -5.9294 3  879.6656163  72503 303811072      81 873        s-trans-Propenoic acid
  418960.2922  0.0569 -5.4681 3  879.6656163  72503 303811072      81 973        s-trans-Propenoic acid
  419038.0101  0.0036 -4.3653 3  225.8992 67  72503 303331321      321220        s-trans-Propenoic acid
  419048.1030  0.2707 -5.4824 3 1003.0334151  72503 303753243      753144        s-trans-Propenoic acid
  419048.1030  0.2707 -5.4824 3 1003.0334151  72503 303753244      753145        s-trans-Propenoic acid
  419096.4724  0.0505 -4.2997 3  627.6630111  72503 303552926      542925        s-trans-Propenoic acid
  419096.4724  0.0505 -4.2997 3  627.6630111  72503 303552927      542926        s-trans-Propenoic acid
  419115.8272  0.1044 -5.8005 3 1131.6601181  72503 303901476      901377        s-trans-Propenoic acid
  419115.8274  0.1044 -5.8005 3 1131.6601181  72503 303901576      901477        s-trans-Propenoic acid
  419162.9681  0.1057 -4.9268 3  575.1771 99  72503 303493118      493019        s-trans-Propenoic acid
  419162.9681  0.1057 -4.9268 3  575.1771 99  72503 303493119      493020        s-trans-Propenoic acid
  419165.6205  0.0041 -5.7110 3  143.4284 49  72503 303241014      23 815        s-trans-Propenoic acid
  419187.1355  0.0036 -4.3651 3  225.8950 67  72503 303331320      321221        s-trans-Propenoic acid
  419190.2055  0.0108 -3.8524 3  451.7235105  72503 303521537      511536        s-trans-Propenoic acid
  419334.6716  0.0075 -3.8622 3  466.7831109  72503 303541242      531241        s-trans-Propenoic acid
  419387.5413  0.5566 -5.9767 3 1290.8958177  72503 303883355      883256        s-trans-Propenoic acid
  419387.5579  0.5566 -5.9767 3 1290.8958177  72503 303883356      883257        s-trans-Propenoic acid
  419409.8512  0.0065 -4.2440 3  206.1718 59  72503 303291515      281414        s-trans-Propenoic acid
  419409.8661  0.0065 -4.2440 3  206.1718 59  72503 303291514      281415        s-trans-Propenoic acid
  419440.8773  0.1054 -4.9214 3  562.7660 97  72503 303483117      483018        s-trans-Propenoic acid
  419440.8773  0.1054 -4.9214 3  562.7660 97  72503 303483118      483019        s-trans-Propenoic acid
  419540.8187  0.0184 -4.7034 3  412.4792101  72503 303501338      491237        s-trans-Propenoic acid
  419566.4252  0.0462 -4.2605 3  614.6934111  72503 303552827      542826        s-trans-Propenoic acid
  419566.4252  0.0462 -4.2605 3  614.6934111  72503 303552828      542827        s-trans-Propenoic acid
  419694.9549  0.1262 -5.8898 3 1189.6307185  72503 303921577      921478        s-trans-Propenoic acid
  419694.9558  0.1262 -5.8898 3 1189.6307185  72503 303921677      921578        s-trans-Propenoic acid
  419703.0378  0.1052 -4.9178 3  550.6128 95  72503 303473116      473017        s-trans-Propenoic acid
  419703.0378  0.1052 -4.9178 3  550.6128 95  72503 303473117      473018        s-trans-Propenoic acid
  419744.5312  0.0504 -5.3801 3  670.2506147  72503 30373 469      73 370        s-trans-Propenoic acid
  419744.5312  0.0504 -5.8034 3  670.2506147  72503 30373 469      73 470        s-trans-Propenoic acid
  419744.5312  0.0504 -5.8034 3  670.2506147  72503 30373 569      73 370        s-trans-Propenoic acid
  419744.5312  0.0504 -5.3801 3  670.2506147  72503 30373 569      73 470        s-trans-Propenoic acid
  419754.1033  0.0129 -4.6689 3  452.9678107  72503 303531341      521240        s-trans-Propenoic acid
  419764.6421  0.0047 -4.2964 3  215.1800 63  72503 303311418      301317        s-trans-Propenoic acid
  419766.7754  0.0047 -4.2964 3  215.1800 63  72503 303311417      301318        s-trans-Propenoic acid
  419849.0428  0.0132 -3.9695 3  506.4405109  72503 303541936      531935        s-trans-Propenoic acid
  419865.7184  0.0132 -3.9694 3  506.4411109  72503 303541935      531934        s-trans-Propenoic acid
  419950.1204  0.1051 -4.9162 3  538.7173 93  72503 303463115      463016        s-trans-Propenoic acid
  419950.1204  0.1051 -4.9162 3  538.7173 93  72503 303463116      463017        s-trans-Propenoic acid
  419974.6831  0.2567 -5.4502 3  983.8169149  72503 303743242      743143        s-trans-Propenoic acid
  419974.6832  0.2567 -5.4502 3  983.8169149  72503 303743243      743144        s-trans-Propenoic acid
  419974.6967  0.0154 -3.8722 3  522.3987131  72503 30365 263      64 262        s-trans-Propenoic acid
  419974.6967  0.0154 -4.2868 3  522.3987131  72503 30365 263      64 362        s-trans-Propenoic acid
  419974.6967  0.0154 -4.2868 3  522.3987131  72503 30365 363      64 262        s-trans-Propenoic acid
  419974.6967  0.0154 -3.8722 3  522.3987131  72503 30365 363      64 362        s-trans-Propenoic acid
  419976.6103  0.0182 -3.8650 3  523.4316133  72503 30366 165      65 164        s-trans-Propenoic acid
  419976.6103  0.0182 -4.2641 3  523.4316133  72503 30366 165      65 264        s-trans-Propenoic acid
  419976.6103  0.0182 -4.2641 3  523.4316133  72503 30366 265      65 164        s-trans-Propenoic acid
  419976.6103  0.0182 -3.8650 3  523.4316133  72503 30366 265      65 264        s-trans-Propenoic acid
  419979.3400  0.0136 -3.8784 3  520.8453129  72503 30364 361      63 360        s-trans-Propenoic acid
  419979.3400  0.0136 -4.3101 3  520.8453129  72503 30364 361      63 460        s-trans-Propenoic acid
  419979.3400  0.0136 -4.3101 3  520.8453129  72503 30364 461      63 360        s-trans-Propenoic acid
  419979.3400  0.0136 -3.8784 3  520.8453129  72503 30364 461      63 460        s-trans-Propenoic acid
  419980.6246  0.0226 -3.8569 3  523.9503135  72503 30367 067      66 066        s-trans-Propenoic acid
  419980.6246  0.0226 -4.2417 3  523.9503135  72503 30367 067      66 166        s-trans-Propenoic acid
  419980.6246  0.0226 -4.2417 3  523.9503135  72503 30367 167      66 066        s-trans-Propenoic acid
  419980.6246  0.0226 -3.8569 3  523.9503135  72503 30367 167      66 166        s-trans-Propenoic acid
  419996.7393  0.0126 -3.8835 3  518.7633127  72503 30363 459      62 458        s-trans-Propenoic acid
  419996.7393  0.0126 -4.3343 3  518.7633127  72503 30363 459      62 558        s-trans-Propenoic acid
  419996.7393  0.0126 -4.3343 3  518.7633127  72503 30363 559      62 458        s-trans-Propenoic acid
  419996.7393  0.0126 -3.8835 3  518.7633127  72503 30363 559      62 558        s-trans-Propenoic acid
  420010.1941  0.1528 -5.9841 3 1248.8727189  72503 303941678      941579        s-trans-Propenoic acid
  420010.1977  0.1528 -5.9841 3 1248.8727189  72503 303941778      941679        s-trans-Propenoic acid
  420032.6545  0.0526 -5.5232 3  595.5468141  72503 30370 268      70 169        s-trans-Propenoic acid
  420032.6545  0.0526 -5.9323 3  595.5468141  72503 30370 268      70 269        s-trans-Propenoic acid
  420032.6545  0.0526 -5.9323 3  595.5468141  72503 30370 368      70 169        s-trans-Propenoic acid
  420032.6545  0.0526 -5.5232 3  595.5468141  72503 30370 368      70 269        s-trans-Propenoic acid
  420035.6731  0.0119 -3.8876 3  516.1428125  72503 30362 557      61 556        s-trans-Propenoic acid
  420035.6731  0.0119 -4.3596 3  516.1428125  72503 30362 557      61 656        s-trans-Propenoic acid
  420035.6731  0.0119 -4.3596 3  516.1428125  72503 30362 657      61 556        s-trans-Propenoic acid
  420035.6731  0.0119 -3.8876 3  516.1428125  72503 30362 657      61 656        s-trans-Propenoic acid
  420088.3982  0.0420 -4.2229 3  602.2068111  72503 303552728      542727        s-trans-Propenoic acid
  420088.3982  0.0420 -4.2229 3  602.2068111  72503 303552729      542728        s-trans-Propenoic acid
  420108.8585  0.0114 -3.8906 3  512.9712123  72503 30361 655      60 654        s-trans-Propenoic acid
  420108.8585  0.0114 -4.3865 3  512.9712123  72503 30361 655      60 754        s-trans-Propenoic acid
  420108.8585  0.0114 -4.3865 3  512.9712123  72503 30361 755      60 654        s-trans-Propenoic acid
  420108.8585  0.0114 -3.8906 3  512.9712123  72503 30361 755      60 754        s-trans-Propenoic acid
  420182.7742  0.1051 -4.9166 3  527.0791 91  72503 303453114      453015        s-trans-Propenoic acid
  420182.7742  0.1051 -4.9166 3  527.0791 91  72503 303453115      453016        s-trans-Propenoic acid
  420235.2674  0.0108 -4.4156 3  509.2322121  72503 30360 753      59 852        s-trans-Propenoic acid
  420235.2677  0.0108 -3.8923 3  509.2322121  72503 30360 853      59 852        s-trans-Propenoic acid
  420235.2680  0.0108 -3.8923 3  509.2322121  72503 30360 753      59 752        s-trans-Propenoic acid
  420235.2683  0.0108 -4.4156 3  509.2322121  72503 30360 853      59 752        s-trans-Propenoic acid
  420262.8778  0.0048 -4.5234 3  257.3906 75  72503 303371226      361125        s-trans-Propenoic acid
  420305.2071  0.0186 -5.9302 3  329.5966 83  72503 303411725      411526        s-trans-Propenoic acid
  420361.6539  0.0185 -5.9301 3  329.5947 83  72503 303411724      411527        s-trans-Propenoic acid
  420401.6280  0.1052 -4.9195 3  515.6981 89  72503 303443113      443014        s-trans-Propenoic acid
  420401.6280  0.1052 -4.9195 3  515.6981 89  72503 303443114      443015        s-trans-Propenoic acid
  420444.3179  0.0102 -4.4478 3  504.9043119  72503 30359 851      58 950        s-trans-Propenoic acid
  420444.3293  0.0102 -3.8927 3  504.9043119  72503 30359 951      58 950        s-trans-Propenoic acid
  420444.3403  0.0102 -3.8927 3  504.9043119  72503 30359 851      58 850        s-trans-Propenoic acid
  420444.3518  0.0102 -4.4478 3  504.9043119  72503 30359 951      58 850        s-trans-Propenoic acid
  420530.5491  0.0070 -4.5922 3  277.5406 79  72503 303391228      381127        s-trans-Propenoic acid
  420607.2907  0.1054 -4.9249 3  504.5738 87  72503 303433112      433013        s-trans-Propenoic acid
  420607.2907  0.1054 -4.9249 3  504.5738 87  72503 303433113      433014        s-trans-Propenoic acid
  420672.0820  0.0379 -4.1868 3  590.2069111  72503 303552629      542628        s-trans-Propenoic acid
  420672.0820  0.0379 -4.1868 3  590.2069111  72503 303552630      542629        s-trans-Propenoic acid
  420712.1527  0.0622 -5.5276 3  931.8058167  72503 303831073      83 974        s-trans-Propenoic acid
  420712.1527  0.0622 -5.9966 3  931.8058167  72503 303831073      831074        s-trans-Propenoic acid
  420712.1527  0.0622 -5.9966 3  931.8058167  72503 303831173      83 974        s-trans-Propenoic acid
  420712.1527  0.0622 -5.5276 3  931.8058167  72503 303831173      831074        s-trans-Propenoic acid
  420783.7443  0.0095 -4.4844 3  499.9578117  72503 30358 949      571048        s-trans-Propenoic acid
  420784.1003  0.0095 -3.8915 3  499.9578117  72503 303581049      571048        s-trans-Propenoic acid
  420784.4177  0.0095 -3.8915 3  499.9577117  72503 30358 949      57 948        s-trans-Propenoic acid
  420784.7736  0.0095 -4.4844 3  499.9577117  72503 303581049      57 948        s-trans-Propenoic acid
  420800.3522  0.1057 -4.9333 3  493.7060 85  72503 303423111      423012        s-trans-Propenoic acid
  420800.3522  0.1057 -4.9333 3  493.7060 85  72503 303423112      423013        s-trans-Propenoic acid
  420860.3360  0.2435 -5.4187 3  964.8680147  72503 303733241      733142        s-trans-Propenoic acid
  420860.3360  0.2435 -5.4187 3  964.8680147  72503 303733242      733143        s-trans-Propenoic acid
  420863.1245  0.0077 -5.0821 3  188.6264 63  72503 30331 823      30 724        s-trans-Propenoic acid
  420866.1194  0.5288 -5.9345 3 1268.1980175  72503 303873354      873255        s-trans-Propenoic acid
  420866.1275  0.5288 -5.9345 3 1268.1980175  72503 303873355      873256        s-trans-Propenoic acid
  420885.3425  0.0603 -5.7592 3  567.3705119  72503 303591742      591445        s-trans-Propenoic acid
  420908.5471  0.0049 -5.8467 3  142.0596 53  72503 30326 621      25 422        s-trans-Propenoic acid
  420950.6997  0.0049 -5.4677 3  142.0582 53  72503 30326 621      25 322        s-trans-Propenoic acid
  420981.3841  0.1060 -4.9451 3  483.0946 83  72503 303413110      413011        s-trans-Propenoic acid
  420981.3841  0.1060 -4.9451 3  483.0946 83  72503 303413111      413012        s-trans-Propenoic acid
  421081.6933  0.0093 -3.8853 3  471.0937107  72503 303531637      521636        s-trans-Propenoic acid
  421105.4815  0.0544 -5.3998 3  796.8453157  72503 30378 771      78 672        s-trans-Propenoic acid
  421105.4815  0.0544 -5.8451 3  796.8453157  72503 30378 771      78 772        s-trans-Propenoic acid
  421105.4815  0.0544 -5.8451 3  796.8453157  72503 30378 871      78 672        s-trans-Propenoic acid
  421105.4815  0.0544 -5.3998 3  796.8453157  72503 30378 871      78 772        s-trans-Propenoic acid
  421150.9401  0.1063 -4.9609 3  472.7391 81  72503 3034031 9      403010        s-trans-Propenoic acid
  421150.9401  0.1063 -4.9609 3  472.7391 81  72503 303403110      403011        s-trans-Propenoic acid
  421221.6793  0.0062 -4.6634 3  480.8876111  72503 303551243      541342        s-trans-Propenoic acid
  421309.5571  0.1067 -4.9814 3  462.6395 79  72503 3033931 8      3930 9        s-trans-Propenoic acid
  421309.5571  0.1067 -4.9814 3  462.6395 79  72503 3033931 9      393010        s-trans-Propenoic acid
  421328.3441  0.0088 -4.5276 3  494.3502115  72503 303571047      561146        s-trans-Propenoic acid
  421329.7251  0.0341 -4.1522 3  578.6986111  72503 303552530      542529        s-trans-Propenoic acid
  421329.7251  0.0341 -4.1522 3  578.6986111  72503 303552531      542530        s-trans-Propenoic acid
  421336.9640  0.0088 -3.8885 3  494.3502115  72503 303571147      561146        s-trans-Propenoic acid
  421344.0134  0.0088 -3.8884 3  494.3496115  72503 303571047      561046        s-trans-Propenoic acid
  421345.3954  0.0058 -4.5561 3  267.2952 77  72503 303381227      371126        s-trans-Propenoic acid
  421352.6332  0.0089 -4.5275 3  494.3496115  72503 303571147      561046        s-trans-Propenoic acid
  421406.6832  0.0243 -4.0711 3  189.3922 41  72503 3032020 0      1919 1        s-trans-Propenoic acid
  421406.6832  0.0243 -4.0711 3  189.3922 41  72503 3032020 1      1919 0        s-trans-Propenoic acid
  421433.3809  0.0432 -5.9110 3  457.2695103  72503 303511833      511636        s-trans-Propenoic acid
  421457.7551  0.1071 -5.0076 3  452.7953 77  72503 3033831 7      3830 8        s-trans-Propenoic acid
  421457.7551  0.1071 -5.0076 3  452.7953 77  72503 3033831 8      3830 9        s-trans-Propenoic acid
  421540.2658  0.2031 -5.9262 3 1069.3107113  72503 3035652 4      5552 3        s-trans-Propenoic acid
  421540.2658  0.2031 -5.9262 3 1069.3107113  72503 3035652 5      5552 4        s-trans-Propenoic acid
  421576.9146  0.0938 -5.9894 3  550.0840115  72503 303571939      571740        s-trans-Propenoic acid
  421596.0383  0.1076 -5.0410 3  443.2065 75  72503 3033731 6      3730 7        s-trans-Propenoic acid
  421596.0383  0.1076 -5.0410 3  443.2065 75  72503 3033731 7      3730 8        s-trans-Propenoic acid
  421636.7338  0.0376 -4.9340 3  522.2538115  72503 303571443      561542        s-trans-Propenoic acid
  421677.4707  0.1948 -5.7837 3 1045.6179113  72503 3035651 5      5551 4        s-trans-Propenoic acid
  421677.4707  0.1948 -5.7837 3 1045.6179113  72503 3035651 6      5551 5        s-trans-Propenoic acid
  421706.7648  0.2312 -5.3881 3  946.1861145  72503 303723240      723141        s-trans-Propenoic acid
  421706.7648  0.2312 -5.3881 3  946.1861145  72503 303723241      723142        s-trans-Propenoic acid
  421716.7154  0.0039 -5.7077 3  143.3418 49  72503 303241015      23 816        s-trans-Propenoic acid
  421724.8949  0.1080 -5.0837 3  433.8728 73  72503 3033631 5      3630 6        s-trans-Propenoic acid
  421724.8949  0.1080 -5.0837 3  433.8728 73  72503 3033631 6      3630 7        s-trans-Propenoic acid
  421818.0221  0.1868 -5.6599 3 1022.3853113  72503 3035650 6      5550 5        s-trans-Propenoic acid
  421818.0221  0.1868 -5.6599 3 1022.3853113  72503 3035650 7      5550 6        s-trans-Propenoic acid
  421831.6481  0.0109 -3.9429 3  498.6188109  72503 303541837      531836        s-trans-Propenoic acid
  421844.7981  0.1085 -5.1389 3  424.7939 71  72503 3033531 4      3530 5        s-trans-Propenoic acid
  421844.7981  0.1085 -5.1389 3  424.7939 71  72503 3033531 5      3530 6        s-trans-Propenoic acid
  421956.2059  0.1090 -5.2121 3  415.9697 69  72503 3033431 3      3430 4        s-trans-Propenoic acid
  421956.2059  0.1090 -5.2121 3  415.9697 69  72503 3033431 4      3430 5        s-trans-Propenoic acid
  421962.2999  0.1789 -5.5494 3  999.6132113  72503 3035649 7      5549 6        s-trans-Propenoic acid
  421962.2999  0.1789 -5.5494 3  999.6132113  72503 3035649 8      5549 7        s-trans-Propenoic acid
  421973.6688  0.0109 -3.9426 3  498.6244109  72503 303541836      531835        s-trans-Propenoic acid
  422055.1454  0.0055 -3.8224 3  443.7678105  72503 303521339      511338        s-trans-Propenoic acid
  422059.5621  0.1095 -5.3137 3  407.3999 67  72503 3033331 2      3330 3        s-trans-Propenoic acid
  422059.5621  0.1095 -5.3137 3  407.3999 67  72503 3033331 3      3330 4        s-trans-Propenoic acid
  422067.4995  0.0079 -4.5821 3  488.0185113  72503 303561145      551244        s-trans-Propenoic acid
  422077.1020  0.0303 -4.1190 3  567.6875111  72503 303552432      542431        s-trans-Propenoic acid
  422077.1021  0.0303 -4.1190 3  567.6875111  72503 303552431      542430        s-trans-Propenoic acid
  422110.7245  0.1712 -5.4488 3  977.3019113  72503 3035648 8      5548 7        s-trans-Propenoic acid
  422110.7245  0.1712 -5.4488 3  977.3019113  72503 3035648 9      5548 8        s-trans-Propenoic acid
  422155.2959  0.1100 -5.4666 3  399.0843 65  72503 3033231 1      3230 2        s-trans-Propenoic acid
  422155.2959  0.1100 -5.4666 3  399.0843 65  72503 3033231 2      3230 3        s-trans-Propenoic acid
  422175.5881  0.0576 -5.8385 3  429.8803101  72503 303501634      501337        s-trans-Propenoic acid
  422227.1142  0.0081 -3.8831 3  488.0185113  72503 303561245      551244        s-trans-Propenoic acid
  422241.9163  0.3293 -5.7783 3  835.9618147  72503 303732053      722152        s-trans-Propenoic acid
  422243.8224  0.1105 -5.7447 3  391.0228 63  72503 3033131 0      3130 1        s-trans-Propenoic acid
  422243.8224  0.1105 -5.7447 3  391.0228 63  72503 3033131 1      3130 2        s-trans-Propenoic acid
  422257.3448  0.0694 -5.5944 3  985.2492171  72503 303851174      851075        s-trans-Propenoic acid
  422257.3448  0.0694 -5.5944 3  985.2492171  72503 303851274      851175        s-trans-Propenoic acid
  422263.7625  0.1636 -5.3560 3  955.4517113  72503 3035647 9      5547 8        s-trans-Propenoic acid
  422263.7625  0.1636 -5.3560 3  955.4517113  72503 303564710      5547 9        s-trans-Propenoic acid
  422280.4625  0.5022 -5.8931 3 1245.7744173  72503 303863353      863254        s-trans-Propenoic acid
  422280.4664  0.5022 -5.8931 3 1245.7744173  72503 303863354      863255        s-trans-Propenoic acid
  422341.2872  0.0097 -5.9835 3  277.4802 79  72503 303391228      39 931        s-trans-Propenoic acid
  422343.8269  0.0082 -3.8828 3  488.0093113  72503 303561145      551144        s-trans-Propenoic acid
  422421.9327  0.1562 -5.2696 3  934.0631113  72503 303564610      5546 9        s-trans-Propenoic acid
  422421.9327  0.1562 -5.2696 3  934.0631113  72503 303564611      554610        s-trans-Propenoic acid
  422451.2897  0.0532 -5.3759 3  717.0302151  72503 30375 570      75 471        s-trans-Propenoic acid
  422451.2897  0.0532 -5.8062 3  717.0302151  72503 30375 570      75 571        s-trans-Propenoic acid
  422451.2897  0.0532 -5.8062 3  717.0302151  72503 30375 670      75 471        s-trans-Propenoic acid
  422451.2897  0.0532 -5.3759 3  717.0302151  72503 30375 670      75 571        s-trans-Propenoic acid
  422503.4417  0.0084 -4.5812 3  488.0093113  72503 303561245      551144        s-trans-Propenoic acid
  422515.5830  0.2196 -5.3583 3  927.7706143  72503 303713239      713140        s-trans-Propenoic acid
  422515.5830  0.2196 -5.3583 3  927.7706143  72503 303713240      713141        s-trans-Propenoic acid
  422585.8141  0.1489 -5.1886 3  913.1364113  72503 303564511      554510        s-trans-Propenoic acid
  422585.8141  0.1489 -5.1886 3  913.1364113  72503 303564512      554511        s-trans-Propenoic acid
  422650.8031  0.0195 -4.0993 3  191.1865 45  72503 3032219 3      2118 4        s-trans-Propenoic acid
  422650.8031  0.0195 -4.0993 3  191.1865 45  72503 3032219 4      2118 3        s-trans-Propenoic acid
  422716.9937  0.0182 -5.9443 3  318.9855 81  72503 303401724      401525        s-trans-Propenoic acid
  422744.6981  0.0182 -5.9442 3  318.9846 81  72503 303401723      401526        s-trans-Propenoic acid
  422756.0536  0.1418 -5.1121 3  892.6720113  72503 303564412      554411        s-trans-Propenoic acid
  422756.0536  0.1418 -5.1121 3  892.6720113  72503 303564413      554412        s-trans-Propenoic acid
  422842.0426  0.0117 -4.6591 3  466.7831109  72503 303541342      531241        s-trans-Propenoic acid
  422933.3768  0.1349 -5.0397 3  872.6705113  72503 303564313      554312        s-trans-Propenoic acid
  422933.3768  0.1349 -5.0397 3  872.6705113  72503 303564314      554313        s-trans-Propenoic acid
  422934.9979  0.0267 -4.0871 3  557.1810111  72503 303552333      542332        s-trans-Propenoic acid
  422934.9994  0.0267 -4.0871 3  557.1810111  72503 303552332      542331        s-trans-Propenoic acid
  423035.3384  0.0586 -5.7568 3  566.5987139  72503 30369 168      69 069        s-trans-Propenoic acid
  423035.3384  0.0586 -5.7568 3  566.5987139  72503 30369 268      69 169        s-trans-Propenoic acid
  423046.7581  0.0048 -5.6889 3  152.3471 55  72503 30327 721      26 522        s-trans-Propenoic acid
  423073.8299  0.0537 -5.4350 3  640.2666145  72503 30372 369      72 270        s-trans-Propenoic acid
  423073.8299  0.0537 -5.8510 3  640.2666145  72503 30372 369      72 370        s-trans-Propenoic acid
  423073.8299  0.0537 -5.8510 3  640.2666145  72503 30372 469      72 270        s-trans-Propenoic acid
  423073.8299  0.0537 -5.4350 3  640.2666145  72503 30372 469      72 370        s-trans-Propenoic acid
  423118.5997  0.1281 -4.9709 3  853.1322113  72503 303564214      554213        s-trans-Propenoic acid
  423118.5997  0.1281 -4.9709 3  853.1322113  72503 303564215      554214        s-trans-Propenoic acid
  423152.0811  0.0196 -4.7119 3  399.2969 99  72503 303491337      481236        s-trans-Propenoic acid
  423152.9119  0.0076 -4.9411 3  208.6799 67  72503 30333 924      32 825        s-trans-Propenoic acid
  423208.9572  0.0044 -5.6622 3  149.7336 51  72503 303251015      24 816        s-trans-Propenoic acid
  423266.6853  0.0581 -5.4422 3  846.9831161  72503 30380 872      80 773        s-trans-Propenoic acid
  423266.6853  0.0581 -5.8949 3  846.9831161  72503 30380 872      80 873        s-trans-Propenoic acid
  423266.6853  0.0581 -5.8949 3  846.9831161  72503 30380 972      80 773        s-trans-Propenoic acid
  423266.6853  0.0581 -5.4422 3  846.9831161  72503 30380 972      80 873        s-trans-Propenoic acid
  423288.3207  0.2088 -5.3293 3  909.6211141  72503 303703238      703139        s-trans-Propenoic acid
  423288.3207  0.2088 -5.3293 3  909.6211141  72503 303703239      703140        s-trans-Propenoic acid
  423312.6427  0.1215 -4.9052 3  834.0578113  72503 303564115      554114        s-trans-Propenoic acid
  423312.6427  0.1215 -4.9052 3  834.0578113  72503 303564116      554115        s-trans-Propenoic acid
  423331.0024  0.0063 -3.8686 3  473.0046109  72503 303541441      531440        s-trans-Propenoic acid
  423354.1437  0.0044 -4.6211 3  243.2690 73  72503 303361125      351026        s-trans-Propenoic acid
  423383.3681  0.0047 -5.3261 3  152.3359 55  72503 30327 721      26 422        s-trans-Propenoic acid
  423387.5122  0.0073 -3.8753 3  480.8876111  72503 303551343      541342        s-trans-Propenoic acid
  423516.5476  0.1150 -4.8425 3  815.4478113  72503 303564016      554015        s-trans-Propenoic acid
  423516.5476  0.1150 -4.8425 3  815.4478113  72503 303564017      554016        s-trans-Propenoic acid
  423588.0396  0.0794 -5.6679 3 1039.9897175  72503 303871275      871176        s-trans-Propenoic acid
  423588.0396  0.0794 -5.6679 3 1039.9897175  72503 303871375      871276        s-trans-Propenoic acid
  423633.7064  0.4769 -5.8525 3 1223.6243171  72503 303853352      853253        s-trans-Propenoic acid
  423633.7083  0.4769 -5.8525 3 1223.6243171  72503 303853353      853254        s-trans-Propenoic acid
  423731.4979  0.1087 -4.7825 3  797.3028113  72503 303563917      553916        s-trans-Propenoic acid
  423731.4979  0.1087 -4.7825 3  797.3028113  72503 303563918      553917        s-trans-Propenoic acid
  423816.8761  0.0406 -5.9100 3  443.9626101  72503 303501833      501634        s-trans-Propenoic acid
  423869.1326  0.0154 -4.1294 3  194.4819 49  72503 3032418 6      2317 7        s-trans-Propenoic acid
  423869.1326  0.0154 -4.1294 3  194.4819 49  72503 3032418 7      2317 6        s-trans-Propenoic acid
  423931.5924  0.0232 -4.0565 3  547.1886111  72503 303552234      542233        s-trans-Propenoic acid
  423931.6149  0.0232 -4.0565 3  547.1886111  72503 303552233      542232        s-trans-Propenoic acid
  423958.8431  0.1025 -4.7250 3  779.6236113  72503 303563818      553817        s-trans-Propenoic acid
  423958.8431  0.1025 -4.7250 3  779.6236113  72503 303563819      553818        s-trans-Propenoic acid
  424026.4320  0.1987 -5.3012 3  891.7371139  72503 303693237      693138        s-trans-Propenoic acid
  424026.4320  0.1987 -5.3012 3  891.7371139  72503 303693238      693139        s-trans-Propenoic acid
  424177.5527  0.0091 -3.9173 3  491.4206109  72503 303541738      531737        s-trans-Propenoic acid
  424200.1285  0.0965 -4.6699 3  762.4109113  72503 303563719      553718        s-trans-Propenoic acid
  424200.1285  0.0965 -4.6699 3  762.4109113  72503 303563720      553719        s-trans-Propenoic acid
  424390.0432  0.0071 -5.4205 3  188.5088 63  72503 30331 823      30 624        s-trans-Propenoic acid
  424457.1314  0.0906 -4.6169 3  745.6657113  72503 303563620      553619        s-trans-Propenoic acid
  424457.1314  0.0906 -4.6169 3  745.6657113  72503 303563621      553620        s-trans-Propenoic acid
  424695.4838  0.0929 -5.7475 3 1096.0212179  72503 303891376      891277        s-trans-Propenoic acid
  424695.4838  0.0929 -5.7475 3 1096.0212179  72503 303891476      891377        s-trans-Propenoic acid
  424729.0503  0.0082 -3.8723 3  480.7706111  72503 303551243      541242        s-trans-Propenoic acid
  424731.3000  0.1894 -5.2740 3  874.1181137  72503 303683236      683137        s-trans-Propenoic acid
  424731.3000  0.1894 -5.2740 3  874.1181137  72503 303683237      683138        s-trans-Propenoic acid
  424731.9057  0.0849 -4.5660 3  729.3890113  72503 303563521      553520        s-trans-Propenoic acid
  424731.9057  0.0849 -4.5660 3  729.3890113  72503 303563522      553521        s-trans-Propenoic acid
  424907.2869  0.0181 -5.9607 3  308.6505 79  72503 303391723      391524        s-trans-Propenoic acid
  424920.5359  0.0181 -5.9607 3  308.6501 79  72503 303391722      391525        s-trans-Propenoic acid
  424928.7628  0.4527 -5.8127 3 1201.7468169  72503 303843351      843252        s-trans-Propenoic acid
  424928.7638  0.4527 -5.8127 3 1201.7468169  72503 303843352      843253        s-trans-Propenoic acid
  424985.8525  0.0565 -5.3924 3  765.1417155  72503 30377 671      77 572        s-trans-Propenoic acid
  424985.8525  0.0565 -5.8297 3  765.1417155  72503 30377 671      77 672        s-trans-Propenoic acid
  424985.8525  0.0565 -5.8297 3  765.1417155  72503 30377 771      77 572        s-trans-Propenoic acid
  424985.8525  0.0565 -5.3924 3  765.1417155  72503 30377 771      77 672        s-trans-Propenoic acid
  425022.6163  0.0118 -4.1625 3  199.2942 53  72503 3032617 9      251610        s-trans-Propenoic acid
  425022.6163  0.0118 -4.1625 3  199.2942 53  72503 303261710      2516 9        s-trans-Propenoic acid
  425026.8380  0.0794 -4.5171 3  713.5818113  72503 303563422      553421        s-trans-Propenoic acid
  425026.8380  0.0794 -4.5171 3  713.5818113  72503 303563423      553422        s-trans-Propenoic acid
  425106.4515  0.0199 -4.0271 3  537.7228111  72503 303552135      542134        s-trans-Propenoic acid
  425106.7426  0.0199 -4.0271 3  537.7228111  72503 303552134      542133        s-trans-Propenoic acid
  425153.4242  0.0094 -3.9154 3  491.4651109  72503 303541737      531736        s-trans-Propenoic acid
  425238.0515  0.0624 -5.4945 3  898.4357165  72503 30382 973      82 874        s-trans-Propenoic acid
  425238.0515  0.0624 -5.9547 3  898.4357165  72503 30382 973      82 974        s-trans-Propenoic acid
  425238.0515  0.0624 -5.9547 3  898.4357165  72503 303821073      82 874        s-trans-Propenoic acid
  425238.0515  0.0624 -5.4945 3  898.4357165  72503 303821073      82 974        s-trans-Propenoic acid
  425344.7171  0.0740 -4.4700 3  698.2455113  72503 303563323      553322        s-trans-Propenoic acid
  425344.7171  0.0740 -4.4700 3  698.2455113  72503 303563324      553323        s-trans-Propenoic acid
  425366.0232  0.0064 -5.3578 3  194.2147 63  72503 303311021      30 822        s-trans-Propenoic acid
  425404.2427  0.1808 -5.2476 3  856.7637135  72503 303673235      673136        s-trans-Propenoic acid
  425404.2427  0.1808 -5.2476 3  856.7637135  72503 303673236      673137        s-trans-Propenoic acid
  425421.6495  0.3998 -5.9043 3  902.6681153  72503 303762155      752254        s-trans-Propenoic acid
  425569.8546  0.1105 -5.8327 3 1153.3377183  72503 303911477      911378        s-trans-Propenoic acid
  425569.8547  0.1105 -5.8327 3 1153.3377183  72503 303911577      911478        s-trans-Propenoic acid
  425624.6371  0.0394 -5.9067 3  443.9031101  72503 303501832      501635        s-trans-Propenoic acid
  425661.8884  0.0045 -5.9848 3  124.9273 41  72503 3032011 9      19 910        s-trans-Propenoic acid
  425670.4054  0.0045 -5.9848 3  124.9270 41  72503 303201110      19 911        s-trans-Propenoic acid
  425688.8226  0.0688 -4.4248 3  683.3815113  72503 303563224      553223        s-trans-Propenoic acid
  425688.8226  0.0688 -4.4248 3  683.3815113  72503 303563225      553224        s-trans-Propenoic acid
  425696.0738  0.0586 -5.7928 3  530.6058115  72503 303571641      571344        s-trans-Propenoic acid
  425801.2829  0.0037 -4.3739 3  234.4496 69  72503 303341322      331221        s-trans-Propenoic acid
  425952.7166  0.0560 -5.4011 3  686.3293149  72503 30374 470      74 371        s-trans-Propenoic acid
  425952.7166  0.0560 -5.8239 3  686.3293149  72503 30374 470      74 471        s-trans-Propenoic acid
  425952.7166  0.0560 -5.8239 3  686.3293149  72503 30374 570      74 371        s-trans-Propenoic acid
  425952.7166  0.0560 -5.4011 3  686.3293149  72503 30374 570      74 471        s-trans-Propenoic acid
  426038.3576  0.0088 -4.2003 3  205.6471 57  72503 303281613      271512        s-trans-Propenoic acid
  426038.3578  0.0088 -4.2003 3  205.6471 57  72503 303281612      271513        s-trans-Propenoic acid
  426046.5175  0.1728 -5.2221 3  839.6733133  72503 303663234      663135        s-trans-Propenoic acid
  426046.5175  0.1728 -5.2221 3  839.6733133  72503 303663235      663136        s-trans-Propenoic acid
  426058.9158  0.0034 -4.4835 3  247.5939 73  72503 303361224      351125        s-trans-Propenoic acid
  426063.0394  0.0637 -4.3813 3  668.9916113  72503 303563125      553124        s-trans-Propenoic acid
  426063.0394  0.0637 -4.3813 3  668.9916113  72503 303563126      553125        s-trans-Propenoic acid
  426104.6598  0.0036 -4.3734 3  234.4411 69  72503 303341321      331222        s-trans-Propenoic acid
  426117.9400  0.0065 -5.4204 3  186.0297 61  72503 303301020      29 821        s-trans-Propenoic acid
  426144.1035  0.0048 -5.6164 3  156.3497 53  72503 303261016      25 817        s-trans-Propenoic acid
  426144.2281  0.0059 -5.2949 3  202.6649 65  72503 303321022      31 823        s-trans-Propenoic acid
  426168.3426  0.4297 -5.7736 3 1180.1412167  72503 303833350      833251        s-trans-Propenoic acid
  426168.3430  0.4297 -5.7736 3 1180.1412167  72503 303833351      833252        s-trans-Propenoic acid
  426182.7542  0.0168 -3.8821 3  536.4075133  72503 30366 264      65 263        s-trans-Propenoic acid
  426182.7542  0.0168 -4.2961 3  536.4075133  72503 30366 264      65 363        s-trans-Propenoic acid
  426182.7542  0.0168 -4.2961 3  536.4075133  72503 30366 364      65 263        s-trans-Propenoic acid
  426182.7542  0.0168 -3.8821 3  536.4075133  72503 30366 364      65 363        s-trans-Propenoic acid
  426184.9070  0.0200 -3.8751 3  537.4405135  72503 30367 166      66 165        s-trans-Propenoic acid
  426184.9070  0.0200 -4.2738 3  537.4405135  72503 30367 166      66 265        s-trans-Propenoic acid
  426184.9070  0.0200 -4.2738 3  537.4405135  72503 30367 266      66 165        s-trans-Propenoic acid
  426184.9070  0.0200 -3.8751 3  537.4405135  72503 30367 266      66 265        s-trans-Propenoic acid
  426186.8064  0.0149 -3.8882 3  534.8543131  72503 30365 362      64 361        s-trans-Propenoic acid
  426186.8064  0.0149 -4.3190 3  534.8543131  72503 30365 362      64 461        s-trans-Propenoic acid
  426186.8064  0.0149 -4.3190 3  534.8543131  72503 30365 462      64 361        s-trans-Propenoic acid
  426186.8064  0.0149 -3.8882 3  534.8543131  72503 30365 462      64 461        s-trans-Propenoic acid
  426188.9746  0.0247 -3.8671 3  537.9594137  72503 30368 068      67 067        s-trans-Propenoic acid
  426188.9746  0.0247 -4.2518 3  537.9594137  72503 30368 068      67 167        s-trans-Propenoic acid
  426188.9746  0.0247 -4.2518 3  537.9594137  72503 30368 168      67 067        s-trans-Propenoic acid
  426188.9746  0.0247 -3.8671 3  537.9594137  72503 30368 168      67 167        s-trans-Propenoic acid
  426200.0844  0.1328 -5.9232 3 1211.9329187  72503 303931578      931479        s-trans-Propenoic acid
  426200.0849  0.1328 -5.9232 3 1211.9329187  72503 303931678      931579        s-trans-Propenoic acid
  426202.9959  0.0138 -3.8932 3  532.7729129  72503 30364 460      63 459        s-trans-Propenoic acid
  426202.9959  0.0138 -4.3426 3  532.7729129  72503 30364 460      63 559        s-trans-Propenoic acid
  426202.9959  0.0138 -4.3426 3  532.7729129  72503 30364 560      63 459        s-trans-Propenoic acid
  426202.9959  0.0138 -3.8932 3  532.7729129  72503 30364 560      63 559        s-trans-Propenoic acid
  426234.6638  0.0584 -5.5420 3  610.5909143  72503 30371 269      71 170        s-trans-Propenoic acid
  426234.6638  0.0584 -5.9509 3  610.5909143  72503 30371 269      71 270        s-trans-Propenoic acid
  426234.6638  0.0584 -5.9509 3  610.5909143  72503 30371 369      71 170        s-trans-Propenoic acid
  426234.6638  0.0584 -5.5420 3  610.5909143  72503 30371 369      71 270        s-trans-Propenoic acid
  426239.6685  0.0130 -3.8971 3  530.1537127  72503 30363 558      62 557        s-trans-Propenoic acid
  426239.6685  0.0130 -4.3673 3  530.1537127  72503 30363 558      62 657        s-trans-Propenoic acid
  426239.6685  0.0130 -4.3673 3  530.1537127  72503 30363 658      62 557        s-trans-Propenoic acid
  426239.6685  0.0130 -3.8971 3  530.1537127  72503 30363 658      62 657        s-trans-Propenoic acid
  426290.2073  0.0078 -3.8940 3  484.8592109  72503 303541639      531638        s-trans-Propenoic acid
  426308.8244  0.0124 -3.8999 3  526.9845125  72503 30362 656      61 655        s-trans-Propenoic acid
  426308.8244  0.0124 -4.3935 3  526.9845125  72503 30362 656      61 755        s-trans-Propenoic acid
  426308.8244  0.0124 -4.3935 3  526.9845125  72503 30362 756      61 655        s-trans-Propenoic acid
  426308.8244  0.0124 -3.8999 3  526.9845125  72503 30362 756      61 755        s-trans-Propenoic acid
  426428.2072  0.0119 -4.4217 3  523.2497123  72503 30361 754      60 853        s-trans-Propenoic acid
  426428.2073  0.0119 -3.9015 3  523.2497123  72503 30361 854      60 853        s-trans-Propenoic acid
  426428.2075  0.0119 -3.9015 3  523.2497123  72503 30361 754      60 753        s-trans-Propenoic acid
  426428.2076  0.0119 -4.4217 3  523.2497123  72503 30361 854      60 753        s-trans-Propenoic acid
  426472.0054  0.0587 -4.3395 3  655.0779113  72503 303563026      553025        s-trans-Propenoic acid
  426472.0054  0.0587 -4.3395 3  655.0779113  72503 303563027      553026        s-trans-Propenoic acid
  426517.0854  0.0168 -3.9988 3  528.8004111  72503 303552036      542035        s-trans-Propenoic acid
  426518.5985  0.0068 -3.8768 3  478.8280109  72503 303541540      531539        s-trans-Propenoic acid
  426520.3561  0.0168 -3.9988 3  528.8005111  72503 303552035      542034        s-trans-Propenoic acid
  426543.7652  0.0089 -3.8208 3  447.4101105  72503 303521438      511437        s-trans-Propenoic acid
  426625.0320  0.0112 -4.4527 3  518.9288121  72503 30360 852      59 951        s-trans-Propenoic acid
  426625.0378  0.0112 -3.9018 3  518.9288121  72503 30360 952      59 951        s-trans-Propenoic acid
  426625.0435  0.0112 -3.9018 3  518.9288121  72503 30360 852      59 851        s-trans-Propenoic acid
  426625.0493  0.0112 -4.4527 3  518.9288121  72503 30360 952      59 851        s-trans-Propenoic acid
  426659.3255  0.1656 -5.1975 3  822.8466131  72503 303653233      653134        s-trans-Propenoic acid
  426659.3255  0.1656 -5.1975 3  822.8466131  72503 303653234      653135        s-trans-Propenoic acid
  426777.8987  0.0064 -4.2449 3  213.5769 61  72503 303301516      291415        s-trans-Propenoic acid
  426777.9405  0.0064 -4.2449 3  213.5769 61  72503 303301515      291416        s-trans-Propenoic acid
  426894.8833  0.0110 -4.6510 3  480.7706111  72503 303551343      541242        s-trans-Propenoic acid
  426899.4744  0.0181 -5.9795 3  298.5899 77  72503 303381722      381523        s-trans-Propenoic acid
  426905.6426  0.0181 -5.9795 3  298.5897 77  72503 303381721      381524        s-trans-Propenoic acid
  426921.3074  0.0540 -4.2993 3  641.6426113  72503 303562927      552926        s-trans-Propenoic acid
  426921.3074  0.0540 -4.2993 3  641.6426113  72503 303562928      552927        s-trans-Propenoic acid
  426942.9813  0.0105 -4.4878 3  513.9936119  72503 30359 950      581049        s-trans-Propenoic acid
  426943.1685  0.0105 -3.9006 3  513.9936119  72503 303591050      581049        s-trans-Propenoic acid
  426943.3373  0.0105 -3.9006 3  513.9936119  72503 30359 950      58 949        s-trans-Propenoic acid
  426943.5245  0.0105 -4.4878 3  513.9936119  72503 303591050      58 949        s-trans-Propenoic acid
  426960.1891  0.0046 -4.3001 3  223.1421 65  72503 303321419      311318        s-trans-Propenoic acid
  426965.2513  0.0046 -4.3001 3  223.1419 65  72503 303321418      311319        s-trans-Propenoic acid
  427013.5400  0.0679 -5.5552 3  951.1976169  72503 303841074      84 975        s-trans-Propenoic acid
  427013.5400  0.0679 -5.5552 3  951.1976169  72503 303841174      841075        s-trans-Propenoic acid
  427057.8084  0.0068 -3.8345 3  457.8460107  72503 303531340      521339        s-trans-Propenoic acid
  427243.8153  0.1590 -5.1738 3  806.2831129  72503 303643232      643133        s-trans-Propenoic acid
  427243.8153  0.1590 -5.1738 3  806.2831129  72503 303643233      643134        s-trans-Propenoic acid
  427318.0144  0.0063 -5.4771 3  178.1346 59  72503 303291019      28 820        s-trans-Propenoic acid
  427343.9017  0.0600 -5.4241 3  814.5796159  72503 30379 772      79 673        s-trans-Propenoic acid
  427343.9017  0.0600 -5.8687 3  814.5796159  72503 30379 772      79 773        s-trans-Propenoic acid
  427343.9017  0.0600 -5.8687 3  814.5796159  72503 30379 872      79 673        s-trans-Propenoic acid
  427343.9017  0.0600 -5.4241 3  814.5796159  72503 30379 872      79 773        s-trans-Propenoic acid
  427354.9754  0.4078 -5.7354 3 1158.8069165  72503 303823349      823250        s-trans-Propenoic acid
  427354.9756  0.4078 -5.7354 3 1158.8069165  72503 303823350      823251        s-trans-Propenoic acid
  427373.9529  0.1052 -5.2185 3  612.5454125  72503 303621646      611745        s-trans-Propenoic acid
  427417.7450  0.0493 -4.2607 3  628.6886113  72503 303562828      552827        s-trans-Propenoic acid
  427417.7450  0.0493 -4.2607 3  628.6886113  72503 303562829      552828        s-trans-Propenoic acid
  427452.4233  0.0098 -4.5289 3  508.4045117  72503 303581048      571147        s-trans-Propenoic acid
  427457.1321  0.0098 -3.8975 3  508.4045117  72503 303581148      571147        s-trans-Propenoic acid
  427461.0432  0.0098 -3.8975 3  508.4042117  72503 303581048      571047        s-trans-Propenoic acid
  427465.7520  0.0098 -4.5288 3  508.4042117  72503 303581148      571047        s-trans-Propenoic acid
  427657.6639  0.0867 -5.9864 3  565.0301117  72503 303581939      581742        s-trans-Propenoic acid
  427772.2195  0.0054 -5.5723 3  163.2866 55  72503 303271017      26 818        s-trans-Propenoic acid
  427799.9974  0.0886 -5.8008 3  505.8667111  72503 303551738      551441        s-trans-Propenoic acid
  427801.0870  0.1530 -5.1510 3  789.9824127  72503 303633231      633132        s-trans-Propenoic acid
  427801.0870  0.1530 -5.1510 3  789.9824127  72503 303633232      633133        s-trans-Propenoic acid
  427806.4219  0.0041 -5.6570 3  149.5770 51  72503 303251016      24 817        s-trans-Propenoic acid
  427919.8766  0.0124 -4.7659 3  501.4665113  72503 303561343      551442        s-trans-Propenoic acid
  427959.0185  0.0069 -4.7947 3  230.0206 71  72503 303351025      34 926        s-trans-Propenoic acid
  427969.6913  0.0448 -4.2236 3  616.2194113  72503 303562729      552728        s-trans-Propenoic acid
  427969.6913  0.0448 -4.2236 3  616.2194113  72503 303562730      552729        s-trans-Propenoic acid
  428072.2393  0.0059 -5.5270 3  170.5493 57  72503 303281018      27 819        s-trans-Propenoic acid
  428144.4957  0.0071 -4.6521 3  495.0103113  72503 303561244      551343        s-trans-Propenoic acid
  428195.6253  0.0090 -4.5798 3  502.1025115  72503 303571146      561245        s-trans-Propenoic acid
  428245.7828  0.0140 -3.9715 3  520.4452111  72503 303551937      541936        s-trans-Propenoic acid
  428277.1778  0.0140 -3.9715 3  520.4463111  72503 303551936      541935        s-trans-Propenoic acid
  428286.9459  0.0091 -3.8923 3  502.1025115  72503 303571246      561245        s-trans-Propenoic acid
  428332.1949  0.1476 -5.1292 3  773.9441125  72503 303623230      623131        s-trans-Propenoic acid
  428332.1949  0.1476 -5.1292 3  773.9441125  72503 303623231      623132        s-trans-Propenoic acid
  428355.2401  0.0092 -3.8921 3  502.0971115  72503 303571146      561145        s-trans-Propenoic acid
  428391.2022  0.0199 -4.7147 3  386.2902 97  72503 303481336      471235        s-trans-Propenoic acid
  428439.3935  0.0046 -5.5692 3  162.8689 57  72503 30328 821      27 622        s-trans-Propenoic acid
  428446.5607  0.0093 -4.5793 3  502.0971115  72503 303571246      561145        s-trans-Propenoic acid
  428491.0278  0.3870 -5.6980 3 1137.7433163  72503 303813348      813249        s-trans-Propenoic acid
  428491.0279  0.3870 -5.6980 3 1137.7433163  72503 303813349      813250        s-trans-Propenoic acid
  428568.3537  0.0365 -5.9062 3  430.8565 99  72503 303491832      491633        s-trans-Propenoic acid
  428586.4527  0.0753 -5.6234 3 1005.2630173  72503 303861175      861076        s-trans-Propenoic acid
  428586.4527  0.0753 -5.6234 3 1005.2630173  72503 303861275      861176        s-trans-Propenoic acid
  428587.6009  0.0405 -4.1879 3  604.2390113  72503 303562630      552629        s-trans-Propenoic acid
  428587.6009  0.0405 -4.1879 3  604.2390113  72503 303562631      552630        s-trans-Propenoic acid
  428665.8484  0.0589 -5.3981 3  733.7295153  72503 30376 571      76 472        s-trans-Propenoic acid
  428665.8484  0.0589 -5.8279 3  733.7295153  72503 30376 571      76 572        s-trans-Propenoic acid
  428665.8484  0.0589 -5.8279 3  733.7295153  72503 30376 671      76 472        s-trans-Propenoic acid
  428665.8484  0.0589 -5.3981 3  733.7295153  72503 30376 671      76 572        s-trans-Propenoic acid
  428838.1508  0.1428 -5.1083 3  758.1678123  72503 303613229      613130        s-trans-Propenoic acid
  428838.1508  0.1428 -5.1083 3  758.1678123  72503 303613230      613131        s-trans-Propenoic acid
  428951.0620  0.0240 -4.0682 3  194.4351 43  72503 3032120 1      2019 2        s-trans-Propenoic acid
  428951.0620  0.0240 -4.0682 3  194.4351 43  72503 3032120 2      2019 1        s-trans-Propenoic acid
  429118.2725  0.2171 -5.8470 3 1083.3717115  72503 3035752 5      5652 4        s-trans-Propenoic acid
  429118.2725  0.2171 -5.8470 3 1083.3717115  72503 3035752 6      5652 5        s-trans-Propenoic acid
  429237.6484  0.0646 -5.7748 3  581.2290141  72503 30370 169      70 070        s-trans-Propenoic acid
  429237.6484  0.0646 -5.7748 3  581.2290141  72503 30370 269      70 170        s-trans-Propenoic acid
  429260.6944  0.2083 -5.7222 3 1059.6836115  72503 3035751 6      5651 5        s-trans-Propenoic acid
  429260.6944  0.2083 -5.7222 3 1059.6836115  72503 3035751 7      5651 6        s-trans-Propenoic acid
  429277.0764  0.0596 -5.4552 3  655.9315147  72503 30373 370      73 271        s-trans-Propenoic acid
  429277.0764  0.0596 -5.8708 3  655.9315147  72503 30373 370      73 371        s-trans-Propenoic acid
  429277.0764  0.0596 -5.8708 3  655.9315147  72503 30373 470      73 271        s-trans-Propenoic acid
  429277.0764  0.0596 -5.4552 3  655.9315147  72503 30373 470      73 371        s-trans-Propenoic acid
  429284.7424  0.0363 -4.1537 3  592.7526113  72503 303562531      552530        s-trans-Propenoic acid
  429284.7424  0.0363 -4.1537 3  592.7526113  72503 303562532      552531        s-trans-Propenoic acid
  429291.5013  0.0044 -5.5151 3  166.4585 57  72503 30328 920      27 721        s-trans-Propenoic acid
  429319.9265  0.1385 -5.0884 3  742.6532121  72503 303603228      603129        s-trans-Propenoic acid
  429319.9265  0.1385 -5.0884 3  742.6532121  72503 303603229      603130        s-trans-Propenoic acid
  429406.6920  0.1997 -5.6107 3 1036.4556115  72503 3035750 7      5650 6        s-trans-Propenoic acid
  429406.6920  0.1997 -5.6107 3 1036.4556115  72503 3035750 8      5650 7        s-trans-Propenoic acid
  429461.8044  0.0082 -3.8845 3  495.0103113  72503 303561344      551343        s-trans-Propenoic acid
  429520.6889  0.0638 -5.4679 3  865.3383163  72503 30381 873      81 774        s-trans-Propenoic acid
  429520.6889  0.0638 -5.9197 3  865.3383163  72503 30381 873      81 874        s-trans-Propenoic acid
  429520.6889  0.0638 -5.9197 3  865.3383163  72503 30381 973      81 774        s-trans-Propenoic acid
  429520.6889  0.0638 -5.4679 3  865.3383163  72503 30381 973      81 874        s-trans-Propenoic acid
  429556.6661  0.1912 -5.5090 3 1013.6883115  72503 3035749 8      5649 7        s-trans-Propenoic acid
  429556.6661  0.1912 -5.5090 3 1013.6883115  72503 3035749 9      5649 8        s-trans-Propenoic acid
  429578.7180  0.3672 -5.6613 3 1116.9497161  72503 303803347      803248        s-trans-Propenoic acid
  429578.7181  0.3672 -5.6613 3 1116.9497161  72503 303803348      803249        s-trans-Propenoic acid
  429591.7111  0.0052 -5.2407 3  211.3536 67  72503 303331023      32 824        s-trans-Propenoic acid
  429592.5571  0.0359 -5.9043 3  430.8227 99  72503 303491831      491634        s-trans-Propenoic acid
  429711.0608  0.1830 -5.4152 3  991.3820115  72503 3035748 9      5648 8        s-trans-Propenoic acid
  429711.0608  0.1830 -5.4152 3  991.3820115  72503 303574810      5648 9        s-trans-Propenoic acid
  429778.4564  0.1347 -5.0696 3  727.3998119  72503 303593227      593128        s-trans-Propenoic acid
  429778.4564  0.1347 -5.0696 3  727.3998119  72503 303593228      593129        s-trans-Propenoic acid
  429870.3689  0.1749 -5.3278 3  969.5369115  72503 303574710      5647 9        s-trans-Propenoic acid
  429870.3689  0.1749 -5.3278 3  969.5369115  72503 303574711      564710        s-trans-Propenoic acid
  429931.0383  0.0122 -3.8494 3  465.7062107  72503 303531538      521537        s-trans-Propenoic acid
  429935.9638  0.0071 -3.8764 3  487.1254111  72503 303551442      541441        s-trans-Propenoic acid
  429949.3403  0.0854 -5.6982 3 1060.6259177  72503 303881276      881177        s-trans-Propenoic acid
  429949.3404  0.0854 -5.6982 3 1060.6259177  72503 303881376      881277        s-trans-Propenoic acid
  430035.1387  0.1669 -5.2457 3  948.1536115  72503 303574611      564610        s-trans-Propenoic acid
  430035.1387  0.1669 -5.2457 3  948.1536115  72503 303574612      564611        s-trans-Propenoic acid
  430078.2911  0.0323 -4.1208 3  581.7664113  72503 303562433      552432        s-trans-Propenoic acid
  430078.2913  0.0323 -4.1208 3  581.7664113  72503 303562432      552431        s-trans-Propenoic acid
  430189.8677  0.0193 -4.0965 3  196.7422 47  72503 3032319 4      2218 5        s-trans-Propenoic acid
  430189.8677  0.0193 -4.0965 3  196.7422 47  72503 3032319 5      2218 4        s-trans-Propenoic acid
  430205.9817  0.1592 -5.1683 3  927.2323115  72503 303574512      564511        s-trans-Propenoic acid
  430205.9817  0.1592 -5.1683 3  927.2323115  72503 303574513      564512        s-trans-Propenoic acid
  430214.6398  0.1314 -5.0518 3  712.4073117  72503 303583226      583127        s-trans-Propenoic acid
  430214.6398  0.1314 -5.0518 3  712.4073117  72503 303583227      583128        s-trans-Propenoic acid
  430248.3645  0.0818 -5.9702 3  534.9448113  72503 303561938      561739        s-trans-Propenoic acid
  430310.3287  0.0089 -3.8826 3  494.9380113  72503 303561244      551243        s-trans-Propenoic acid
  430376.3187  0.0115 -3.9451 3  512.6896111  72503 303551838      541837        s-trans-Propenoic acid
  430383.5820  0.1516 -5.0948 3  906.7736115  72503 303574413      564412        s-trans-Propenoic acid
  430383.5820  0.1516 -5.0948 3  906.7736115  72503 303574414      564413        s-trans-Propenoic acid
  430449.4418  0.0045 -5.2436 3  162.8019 57  72503 30328 821      27 522        s-trans-Propenoic acid
  430568.7066  0.1442 -5.0250 3  886.7780115  72503 303574314      564313        s-trans-Propenoic acid
  430568.7066  0.1442 -5.0250 3  886.7780115  72503 303574315      564314        s-trans-Propenoic acid
  430620.1301  0.3484 -5.6255 3 1096.4255159  72503 303793346      793247        s-trans-Propenoic acid
  430620.1301  0.3484 -5.6255 3 1096.4255159  72503 303793347      793248        s-trans-Propenoic acid
  430627.5199  0.0115 -3.9446 3  512.6999111  72503 303551837      541836        s-trans-Propenoic acid
  430629.3427  0.1286 -5.0351 3  697.6753115  72503 303573225      573126        s-trans-Propenoic acid
  430629.3427  0.1286 -5.0351 3  697.6753115  72503 303573226      573127        s-trans-Propenoic acid
  430672.9903  0.0106 -5.9787 3  282.3187 79  72503 303391327      391030        s-trans-Propenoic acid
  430762.2184  0.1369 -4.9583 3  867.2459115  72503 303574215      564214        s-trans-Propenoic acid
  430762.2184  0.1369 -4.9583 3  867.2459115  72503 303574216      564215        s-trans-Propenoic acid
  430965.0911  0.1298 -4.8946 3  848.1780115  72503 303574116      564115        s-trans-Propenoic acid
  430965.0911  0.1298 -4.8946 3  848.1780115  72503 303574117      564116        s-trans-Propenoic acid
  430991.0269  0.0284 -4.0893 3  571.2886113  72503 303562334      552333        s-trans-Propenoic acid
  430991.0304  0.0284 -4.0893 3  571.2886113  72503 303562333      552332        s-trans-Propenoic acid
  431023.3999  0.1261 -5.0195 3  683.2036113  72503 303563224      563125        s-trans-Propenoic acid
  431023.3999  0.1261 -5.0195 3  683.2036113  72503 303563225      563126        s-trans-Propenoic acid
  431093.8940  0.0991 -5.7790 3 1117.2804181  72503 303901377      901278        s-trans-Propenoic acid
  431093.8940  0.0991 -5.7790 3 1117.2804181  72503 303901477      901378        s-trans-Propenoic acid
  431178.4273  0.1229 -4.8335 3  829.5747115  72503 303574017      564016        s-trans-Propenoic acid
  431178.4273  0.1229 -4.8335 3  829.5747115  72503 303574018      564017        s-trans-Propenoic acid
  431193.9486  0.0111 -3.8844 3  485.1395109  72503 303541638      531637        s-trans-Propenoic acid
  431209.4328  0.0623 -5.4160 3  782.4618157  72503 30378 672      78 573        s-trans-Propenoic acid
  431209.4328  0.0623 -5.8527 3  782.4618157  72503 30378 672      78 673        s-trans-Propenoic acid
  431209.4328  0.0623 -5.8527 3  782.4618157  72503 30378 772      78 573        s-trans-Propenoic acid
  431209.4328  0.0623 -5.4160 3  782.4618157  72503 30378 772      78 673        s-trans-Propenoic acid
  431393.9450  0.0151 -4.1271 3  200.5545 51  72503 3032518 7      2417 8        s-trans-Propenoic acid
  431393.9450  0.0151 -4.1271 3  200.5545 51  72503 3032518 8      2417 7        s-trans-Propenoic acid
  431397.6167  0.1240 -5.0052 3  668.9916111  72503 303553223      553124        s-trans-Propenoic acid
  431397.6167  0.1240 -5.0052 3  668.9916111  72503 303553224      553125        s-trans-Propenoic acid
  431403.4800  0.1161 -4.7750 3  811.4369115  72503 303573918      563917        s-trans-Propenoic acid
  431403.4800  0.1161 -4.7750 3  811.4369115  72503 303573919      563918        s-trans-Propenoic acid
  431510.9822  0.0683 -5.5215 3  917.4122167  72503 30383 974      83 875        s-trans-Propenoic acid
  431510.9822  0.0683 -5.9806 3  917.4122167  72503 30383 974      83 975        s-trans-Propenoic acid
  431510.9822  0.0683 -5.9806 3  917.4122167  72503 303831074      83 875        s-trans-Propenoic acid
  431510.9822  0.0683 -5.5215 3  917.4122167  72503 303831074      83 975        s-trans-Propenoic acid
  431617.2253  0.3306 -5.5904 3 1076.1701157  72503 303783345      783246        s-trans-Propenoic acid
  431617.2253  0.3306 -5.5904 3 1076.1701157  72503 303783346      783247        s-trans-Propenoic acid
  431627.6374  0.0108 -4.6446 3  494.9380113  72503 303561344      551243        s-trans-Propenoic acid
  431641.6788  0.1095 -4.7188 3  793.7653115  72503 303573819      563818        s-trans-Propenoic acid
  431641.6788  0.1095 -4.7188 3  793.7653115  72503 303573820      563819        s-trans-Propenoic acid
  431649.5506  0.0083 -3.8479 3  472.0911109  72503 303541341      531340        s-trans-Propenoic acid
  431752.7705  0.1223 -4.9920 3  655.0392109  72503 303543222      543123        s-trans-Propenoic acid
  431752.7705  0.1223 -4.9920 3  655.0392109  72503 303543223      543124        s-trans-Propenoic acid
  431894.6614  0.1031 -4.6647 3  776.5607115  72503 303573720      563719        s-trans-Propenoic acid
  431894.6614  0.1031 -4.6647 3  776.5607115  72503 303573721      563720        s-trans-Propenoic acid
  432010.8131  0.1171 -5.8655 3 1175.2204185  72503 303921478      921379        s-trans-Propenoic acid
  432010.8131  0.1171 -5.8655 3 1175.2204185  72503 303921578      921479        s-trans-Propenoic acid
  432054.0921  0.0247 -4.0590 3  561.3295113  72503 303562235      552234        s-trans-Propenoic acid
  432054.1407  0.0247 -4.0590 3  561.3295113  72503 303562234      552233        s-trans-Propenoic acid
  432089.6123  0.1209 -4.9802 3  641.3460107  72503 303533221      533122        s-trans-Propenoic acid
  432089.6123  0.1209 -4.9802 3  641.3460107  72503 303533222      533123        s-trans-Propenoic acid
  432155.1054  0.0804 -5.9717 3  549.7388115  72503 303571938      571741        s-trans-Propenoic acid
  432159.5044  0.0619 -5.4226 3  702.6149151  72503 30375 471      75 372        s-trans-Propenoic acid
  432159.5044  0.0619 -5.8449 3  702.6149151  72503 30375 471      75 472        s-trans-Propenoic acid
  432159.5044  0.0619 -5.8449 3  702.6149151  72503 30375 571      75 372        s-trans-Propenoic acid
  432159.5044  0.0619 -5.4226 3  702.6149151  72503 30375 571      75 472        s-trans-Propenoic acid
  432164.3127  0.0968 -4.6128 3  759.8241115  72503 303573621      563620        s-trans-Propenoic acid
  432164.3127  0.0968 -4.6128 3  759.8241115  72503 303573622      563621        s-trans-Propenoic acid
  432272.2018  0.0064 -5.2865 3  208.3757 67  72503 30333 924      32 725        s-trans-Propenoic acid
  432371.3025  0.0037 -4.3846 3  243.2811 71  72503 303351323      341222        s-trans-Propenoic acid
  432390.2240  0.0184 -3.8928 3  550.6235135  72503 30367 265      66 264        s-trans-Propenoic acid
  432390.2240  0.0184 -4.3062 3  550.6235135  72503 30367 265      66 364        s-trans-Propenoic acid
  432390.2240  0.0184 -4.3062 3  550.6235135  72503 30367 365      66 264        s-trans-Propenoic acid
  432390.2240  0.0184 -3.8928 3  550.6235135  72503 30367 365      66 364        s-trans-Propenoic acid
  432392.6057  0.0219 -3.8859 3  551.6565137  72503 30368 167      67 166        s-trans-Propenoic acid
  432392.6057  0.0219 -4.2843 3  551.6565137  72503 30368 167      67 266        s-trans-Propenoic acid
  432392.6057  0.0219 -4.2843 3  551.6565137  72503 30368 267      67 166        s-trans-Propenoic acid
  432392.6057  0.0219 -3.8859 3  551.6565137  72503 30368 267      67 266        s-trans-Propenoic acid
  432393.7120  0.0163 -3.8987 3  549.0703133  72503 30366 363      65 362        s-trans-Propenoic acid
  432393.7120  0.0163 -4.3286 3  549.0703133  72503 30366 363      65 462        s-trans-Propenoic acid
  432393.7120  0.0163 -4.3286 3  549.0703133  72503 30366 463      65 362        s-trans-Propenoic acid
  432393.7120  0.0163 -3.8987 3  549.0703133  72503 30366 463      65 462        s-trans-Propenoic acid
  432396.7239  0.0270 -3.8780 3  552.1755139  72503 30369 069      68 068        s-trans-Propenoic acid
  432396.7239  0.0270 -4.2626 3  552.1755139  72503 30369 069      68 168        s-trans-Propenoic acid
  432396.7239  0.0270 -4.2626 3  552.1755139  72503 30369 169      68 068        s-trans-Propenoic acid
  432396.7239  0.0270 -3.8780 3  552.1755139  72503 30369 169      68 168        s-trans-Propenoic acid
  432408.7524  0.0150 -3.9035 3  546.9895131  72503 30365 461      64 460        s-trans-Propenoic acid
  432408.7524  0.0150 -4.3517 3  546.9895131  72503 30365 461      64 560        s-trans-Propenoic acid
  432408.7524  0.0150 -4.3517 3  546.9895131  72503 30365 561      64 460        s-trans-Propenoic acid
  432408.7524  0.0150 -3.9035 3  546.9895131  72503 30365 561      64 560        s-trans-Propenoic acid
  432408.8679  0.1198 -4.9697 3  627.9116105  72503 303523220      523121        s-trans-Propenoic acid
  432408.8679  0.1198 -4.9697 3  627.9116105  72503 303523221      523122        s-trans-Propenoic acid
  432435.8437  0.0645 -5.5614 3  625.8421145  72503 30372 270      72 171        s-trans-Propenoic acid
  432435.8437  0.0645 -5.9701 3  625.8421145  72503 30372 270      72 271        s-trans-Propenoic acid
  432435.8437  0.0645 -5.9701 3  625.8421145  72503 30372 370      72 171        s-trans-Propenoic acid
  432435.8437  0.0645 -5.5614 3  625.8421145  72503 30372 370      72 271        s-trans-Propenoic acid
  432443.2894  0.0142 -3.9073 3  544.3715129  72503 30364 559      63 558        s-trans-Propenoic acid
  432443.2894  0.0142 -4.3758 3  544.3715129  72503 30364 559      63 658        s-trans-Propenoic acid
  432443.2894  0.0142 -4.3758 3  544.3715129  72503 30364 659      63 558        s-trans-Propenoic acid
  432443.2894  0.0142 -3.9073 3  544.3715129  72503 30364 659      63 658        s-trans-Propenoic acid
  432449.3788  0.0273 -5.9783 3  359.0594 93  72503 303461234      46 937        s-trans-Propenoic acid
  432452.8129  0.0907 -4.5628 3  743.5565115  72503 303573522      563521        s-trans-Propenoic acid
  432452.8129  0.0907 -4.5628 3  743.5565115  72503 303573523      563522        s-trans-Propenoic acid
  432457.0684  0.0043 -5.9179 3  130.0507 43  72503 303211110      20 911        s-trans-Propenoic acid
  432478.8207  0.0043 -5.9179 3  130.0499 43  72503 303211111      20 912        s-trans-Propenoic acid
  432508.6635  0.0136 -3.9100 3  541.2046127  72503 30363 657      62 656        s-trans-Propenoic acid
  432508.6635  0.0136 -4.4013 3  541.2046127  72503 30363 657      62 756        s-trans-Propenoic acid
  432508.6635  0.0136 -4.4013 3  541.2046127  72503 30363 757      62 656        s-trans-Propenoic acid
  432508.6635  0.0136 -3.9100 3  541.2046127  72503 30363 757      62 756        s-trans-Propenoic acid
  432517.8536  0.0116 -4.1611 3  205.8896 55  72503 303271710      261611        s-trans-Propenoic acid
  432517.8536  0.0116 -4.1611 3  205.8896 55  72503 303271711      261610        s-trans-Propenoic acid
  432558.8041  0.0059 -5.3230 3  158.9036 57  72503 30328 622      27 523        s-trans-Propenoic acid
  432571.8532  0.3138 -5.5561 3 1056.1830155  72503 303773344      773245        s-trans-Propenoic acid
  432571.8532  0.3138 -5.5561 3 1056.1830155  72503 303773345      773246        s-trans-Propenoic acid
  432621.5011  0.0130 -4.4286 3  537.4739125  72503 30362 755      61 854        s-trans-Propenoic acid
  432621.5011  0.0130 -3.9115 3  537.4739125  72503 30362 855      61 854        s-trans-Propenoic acid
  432621.5012  0.0130 -3.9115 3  537.4739125  72503 30362 755      61 754        s-trans-Propenoic acid
  432621.5013  0.0130 -4.4286 3  537.4739125  72503 30362 855      61 754        s-trans-Propenoic acid
  432689.6474  0.1398 -5.9572 3 1234.4398189  72503 303941579      941480        s-trans-Propenoic acid
  432689.6476  0.1398 -5.9572 3 1234.4398189  72503 303941679      941580        s-trans-Propenoic acid
  432711.2392  0.1189 -4.9606 3  614.7359103  72503 303513219      513120        s-trans-Propenoic acid
  432711.2392  0.1189 -4.9606 3  614.7359103  72503 303513220      513121        s-trans-Propenoic acid
  432738.4017  0.0332 -5.9049 3  418.0465 97  72503 303481831      481632        s-trans-Propenoic acid
  432743.3686  0.0059 -5.6921 3  158.8975 57  72503 30328 622      27 423        s-trans-Propenoic acid
  432762.6970  0.0848 -4.5148 3  727.7592115  72503 303573423      563422        s-trans-Propenoic acid
  432762.6970  0.0848 -4.5148 3  727.7592115  72503 303573424      563423        s-trans-Propenoic acid
  432797.5517  0.0097 -3.9199 3  505.5696111  72503 303551739      541738        s-trans-Propenoic acid
  432807.0396  0.0124 -4.4586 3  533.1595123  72503 30361 853      60 952        s-trans-Propenoic acid
  432807.0426  0.0124 -3.9117 3  533.1595123  72503 30361 953      60 952        s-trans-Propenoic acid
  432807.0454  0.0124 -3.9117 3  533.1595123  72503 30361 853      60 852        s-trans-Propenoic acid
  432807.0484  0.0124 -4.4586 3  533.1595123  72503 30361 953      60 852        s-trans-Propenoic acid
  432969.4057  0.0037 -4.3836 3  243.2644 71  72503 303351322      341223        s-trans-Propenoic acid
  432997.4055  0.1182 -4.9531 3  601.8184101  72503 303503218      503119        s-trans-Propenoic acid
  432997.4055  0.1182 -4.9531 3  601.8184101  72503 303503219      503120        s-trans-Propenoic acid
  433096.9305  0.0790 -4.4685 3  712.4334115  72503 303573324      563323        s-trans-Propenoic acid
  433096.9305  0.0790 -4.4685 3  712.4334115  72503 303573325      563324        s-trans-Propenoic acid
  433105.3242  0.0117 -4.4922 3  528.2349121  72503 30360 951      591050        s-trans-Propenoic acid
  433105.4221  0.0117 -3.9104 3  528.2349121  72503 303601051      591050        s-trans-Propenoic acid
  433105.5113  0.0117 -3.9104 3  528.2349121  72503 30360 951      59 950        s-trans-Propenoic acid
  433105.6092  0.0117 -4.4922 3  528.2349121  72503 303601051      59 950        s-trans-Propenoic acid
  433268.0244  0.1177 -4.9473 3  589.1589 99  72503 303493217      493118        s-trans-Propenoic acid
  433268.0244  0.1177 -4.9473 3  589.1589 99  72503 303493218      493119        s-trans-Propenoic acid
  433305.4289  0.0329 -5.9039 3  418.0278 97  72503 303481830      481633        s-trans-Propenoic acid
  433309.0042  0.0740 -5.5836 3  970.7955171  72503 303851075      85 976        s-trans-Propenoic acid
  433309.0042  0.0740 -5.5836 3  970.7955171  72503 303851175      851076        s-trans-Propenoic acid
  433311.6337  0.0212 -4.0299 3  551.9028113  72503 303562136      552135        s-trans-Propenoic acid
  433312.2332  0.0212 -4.0299 3  551.9028113  72503 303562135      552134        s-trans-Propenoic acid
  433459.0052  0.0734 -4.4240 3  697.5810115  72503 303573225      563224        s-trans-Propenoic acid
  433459.0052  0.0734 -4.4240 3  697.5810115  72503 303573226      563225        s-trans-Propenoic acid
  433477.5604  0.0086 -4.2003 3  212.7736 59  72503 303291614      281513        s-trans-Propenoic acid
  433477.5610  0.0086 -4.2003 3  212.7736 59  72503 303291613      281514        s-trans-Propenoic acid
  433485.7608  0.2979 -5.5227 3 1036.4636153  72503 303763343      763244        s-trans-Propenoic acid
  433485.7608  0.2979 -5.5227 3 1036.4636153  72503 303763344      763245        s-trans-Propenoic acid
  433523.7326  0.1174 -4.9432 3  576.7570 97  72503 303483216      483117        s-trans-Propenoic acid
  433523.7326  0.1174 -4.9432 3  576.7570 97  72503 303483217      483118        s-trans-Propenoic acid
  433579.3141  0.0660 -5.4491 3  832.5204161  72503 30380 773      80 674        s-trans-Propenoic acid
  433579.3141  0.0660 -5.8928 3  832.5204161  72503 30380 773      80 774        s-trans-Propenoic acid
  433579.3141  0.0660 -5.8928 3  832.5204161  72503 30380 873      80 674        s-trans-Propenoic acid
  433579.3141  0.0660 -5.4491 3  832.5204161  72503 30380 873      80 774        s-trans-Propenoic acid
  433581.5235  0.0109 -4.5313 3  522.6629119  72503 303591049      581148        s-trans-Propenoic acid
  433584.0789  0.0109 -3.9073 3  522.6629119  72503 303591149      581148        s-trans-Propenoic acid
  433586.2323  0.0109 -3.9073 3  522.6627119  72503 303591049      581048        s-trans-Propenoic acid
  433588.7877  0.0109 -4.5313 3  522.6627119  72503 303591149      581048        s-trans-Propenoic acid
  433765.1472  0.1172 -4.9411 3  564.6126 95  72503 303473215      473116        s-trans-Propenoic acid
  433765.1472  0.1172 -4.9411 3  564.6126 95  72503 303473216      473117        s-trans-Propenoic acid
  433853.0623  0.0680 -4.3811 3  683.2036115  72503 303573126      563125        s-trans-Propenoic acid
  433853.0623  0.0680 -4.3811 3  683.2036115  72503 303573127      563126        s-trans-Propenoic acid
  433992.8661  0.1171 -4.9410 3  552.7253 93  72503 303463214      463115        s-trans-Propenoic acid
  433992.8661  0.1171 -4.9410 3  552.7253 93  72503 303463215      463116        s-trans-Propenoic acid
  433997.4571  0.0042 -5.6094 3  156.0808 53  72503 303261017      25 818        s-trans-Propenoic acid
  434044.2550  0.0109 -5.9587 3  292.6528 81  72503 303401328      401031        s-trans-Propenoic acid
  434046.7795  0.0072 -3.8827 3  493.0551111  72503 303551541      541540        s-trans-Propenoic acid
  434095.6097  0.0046 -4.3052 3  231.3740 67  72503 303331420      321319        s-trans-Propenoic acid
  434107.2041  0.0046 -4.3052 3  231.3737 67  72503 303331419      321320        s-trans-Propenoic acid
  434113.5036  0.0063 -4.2469 3  221.2466 63  72503 303311517      301416        s-trans-Propenoic acid
  434113.6161  0.0063 -4.2469 3  221.2466 63  72503 303311516      301417        s-trans-Propenoic acid
  434207.4690  0.1172 -4.9434 3  541.0949 91  72503 303453213      453114        s-trans-Propenoic acid
  434207.4690  0.1172 -4.9434 3  541.0949 91  72503 303453214      453115        s-trans-Propenoic acid
  434264.1519  0.1043 -5.7931 3  605.1562123  72503 303611843      611546        s-trans-Propenoic acid
  434284.0547  0.0627 -4.3399 3  669.3034115  72503 303573027      563026        s-trans-Propenoic acid
  434284.0547  0.0627 -4.3399 3  669.3034115  72503 303573028      563027        s-trans-Propenoic acid
  434298.0940  0.0056 -5.9349 3  127.5715 51  72503 30325 322      24 223        s-trans-Propenoic acid
  434303.7133  0.0101 -4.5792 3  516.3886117  72503 303581147      571246        s-trans-Propenoic acid
  434340.3501  0.0055 -5.9348 3  127.5715 51  72503 30325 422      24 123        s-trans-Propenoic acid
  434355.4994  0.0102 -3.9022 3  516.3886117  72503 303581247      571246        s-trans-Propenoic acid
  434360.6015  0.2828 -5.4900 3 1017.0113151  72503 303753342      753243        s-trans-Propenoic acid
  434360.6015  0.2828 -5.4900 3 1017.0113151  72503 303753343      753244        s-trans-Propenoic acid
  434394.3580  0.0104 -3.9168 3  505.6467111  72503 303551738      541737        s-trans-Propenoic acid
  434395.0339  0.0102 -3.9021 3  516.3855117  72503 303581147      571146        s-trans-Propenoic acid
  434409.5181  0.1173 -4.9483 3  529.7212 89  72503 303443212      443113        s-trans-Propenoic acid
  434409.5181  0.1173 -4.9483 3  529.7212 89  72503 303443213      443114        s-trans-Propenoic acid
  434446.8200  0.0103 -4.5789 3  516.3855117  72503 303581247      571146        s-trans-Propenoic acid
  434486.5675  0.0035 -4.5056 3  257.0192 75  72503 303371225      361126        s-trans-Propenoic acid
  434511.1094  0.0698 -5.8026 3  583.1232121  72503 303601743      601446        s-trans-Propenoic acid
  434599.5586  0.1175 -4.9563 3  518.6037 87  72503 303433211      433112        s-trans-Propenoic acid
  434599.5586  0.1175 -4.9563 3  518.6037 87  72503 303433212      433113        s-trans-Propenoic acid
  434633.1475  0.0083 -3.8977 3  499.0788111  72503 303551640      541639        s-trans-Propenoic acid
  434715.2595  0.0083 -4.6445 3  509.3356115  72503 303571245      561344        s-trans-Propenoic acid
  434743.0774  0.0193 -4.7091 3  373.4843 95  72503 303471335      461234        s-trans-Propenoic acid
  434757.9599  0.0576 -4.3002 3  655.8831115  72503 303572928      562927        s-trans-Propenoic acid
  434757.9599  0.0576 -4.3002 3  655.8831115  72503 303572929      562928        s-trans-Propenoic acid
  434778.1192  0.1178 -4.9676 3  507.7424 85  72503 303423210      423111        s-trans-Propenoic acid
  434778.1192  0.1178 -4.9676 3  507.7424 85  72503 303423211      423112        s-trans-Propenoic acid
  434828.0794  0.0178 -4.0018 3  543.0275113  72503 303562037      552036        s-trans-Propenoic acid
  434834.4694  0.0178 -4.0018 3  543.0277113  72503 303562036      552035        s-trans-Propenoic acid
  434878.5983  0.0650 -5.4210 3  750.6357155  72503 30377 572      77 473        s-trans-Propenoic acid
  434878.5983  0.0650 -5.8502 3  750.6357155  72503 30377 572      77 573        s-trans-Propenoic acid
  434878.5983  0.0650 -5.8502 3  750.6357155  72503 30377 672      77 473        s-trans-Propenoic acid
  434878.5983  0.0650 -5.4210 3  750.6357155  72503 30377 672      77 573        s-trans-Propenoic acid
  434908.3607  0.0816 -5.6530 3 1025.4827175  72503 303871176      871077        s-trans-Propenoic acid
  434908.3607  0.0816 -5.6530 3 1025.4827175  72503 303871276      871177        s-trans-Propenoic acid
  434945.7130  0.1181 -4.9829 3  497.1370 83  72503 3034132 9      413110        s-trans-Propenoic acid
  434945.7130  0.1181 -4.9829 3  497.1370 83  72503 303413210      413111        s-trans-Propenoic acid
  434957.2921  0.0079 -3.8244 3  461.6381107  72503 303531439      521438        s-trans-Propenoic acid
  434967.5238  0.0307 -5.9650 3  348.6006 89  72503 303441529      441232        s-trans-Propenoic acid
  435102.8376  0.1185 -5.0030 3  486.7872 81  72503 3034032 8      4031 9        s-trans-Propenoic acid
  435102.8376  0.1185 -5.0030 3  486.7872 81  72503 3034032 9      403110        s-trans-Propenoic acid
  435197.9420  0.2687 -5.4581 3  997.8258149  72503 303743341      743242        s-trans-Propenoic acid
  435197.9420  0.2687 -5.4581 3  997.8258149  72503 303743342      743243        s-trans-Propenoic acid
  435249.9757  0.1189 -5.0288 3  476.6928 79  72503 3033932 7      3931 8        s-trans-Propenoic acid
  435249.9757  0.1189 -5.0288 3  476.6928 79  72503 3033932 8      3931 9        s-trans-Propenoic acid
  435282.0702  0.0526 -4.2621 3  642.9458115  72503 303572829      562828        s-trans-Propenoic acid
  435282.0702  0.0526 -4.2621 3  642.9458115  72503 303572830      562829        s-trans-Propenoic acid
  435387.5957  0.1193 -5.0618 3  466.8537 77  72503 3033832 6      3831 7        s-trans-Propenoic acid
  435387.5957  0.1193 -5.0618 3  466.8537 77  72503 3033832 7      3831 8        s-trans-Propenoic acid
  435439.2886  0.0711 -5.7935 3  596.0662143  72503 30371 170      71 071        s-trans-Propenoic acid
  435439.2886  0.0711 -5.7935 3  596.0662143  72503 30371 270      71 171        s-trans-Propenoic acid
  435479.2566  0.0659 -5.4760 3  671.8033149  72503 30374 371      74 272        s-trans-Propenoic acid
  435479.2566  0.0659 -5.8912 3  671.8033149  72503 30374 371      74 372        s-trans-Propenoic acid
  435479.2566  0.0659 -5.8912 3  671.8033149  72503 30374 471      74 272        s-trans-Propenoic acid
  435479.2566  0.0659 -5.4760 3  671.8033149  72503 30374 471      74 372        s-trans-Propenoic acid
  435505.8185  0.0093 -3.8944 3  509.3356115  72503 303571345      561344        s-trans-Propenoic acid
  435516.1516  0.1198 -5.1041 3  457.2695 75  72503 3033732 5      3731 6        s-trans-Propenoic acid
  435516.1516  0.1198 -5.1041 3  457.2695 75  72503 3033732 6      3731 7        s-trans-Propenoic acid
  435626.6878  0.0068 -5.7326 3  145.1773 51  72503 30325 917      24 618        s-trans-Propenoic acid
  435636.0839  0.1203 -5.1589 3  447.9400 73  72503 3033632 4      3631 5        s-trans-Propenoic acid
  435636.0839  0.1203 -5.1589 3  447.9400 73  72503 3033632 5      3631 6        s-trans-Propenoic acid
  435747.8195  0.1208 -5.2317 3  438.8651 71  72503 3033532 3      3531 4        s-trans-Propenoic acid
  435747.8195  0.1208 -5.2317 3  438.8651 71  72503 3033532 4      3531 5        s-trans-Propenoic acid
  435763.6492  0.1519 -5.3413 3  669.1368131  72503 303651748      641847        s-trans-Propenoic acid
  435770.9297  0.0700 -5.4942 3  883.9000165  72503 30382 874      82 775        s-trans-Propenoic acid
  435770.9297  0.0700 -5.9451 3  883.9000165  72503 30382 874      82 875        s-trans-Propenoic acid
  435770.9297  0.0700 -5.9451 3  883.9000165  72503 30382 974      82 775        s-trans-Propenoic acid
  435770.9297  0.0700 -5.4942 3  883.9000165  72503 30382 974      82 875        s-trans-Propenoic acid
  435819.9172  0.0064 -5.5903 3  151.9209 53  72503 30326 918      25 619        s-trans-Propenoic acid
  435851.7720  0.1213 -5.3328 3  430.0446 69  72503 3033432 2      3431 3        s-trans-Propenoic acid
  435851.7720  0.1213 -5.3328 3  430.0446 69  72503 3033432 3      3431 4        s-trans-Propenoic acid
  435865.3915  0.0478 -4.2254 3  630.4949115  72503 303572730      562729        s-trans-Propenoic acid
  435865.3915  0.0478 -4.2254 3  630.4949115  72503 303572731      562730        s-trans-Propenoic acid
  435948.3424  0.1218 -5.4854 3  421.4783 67  72503 3033332 1      3331 2        s-trans-Propenoic acid
  435948.3424  0.1218 -5.4854 3  421.4783 67  72503 3033332 2      3331 3        s-trans-Propenoic acid
  435999.2696  0.2554 -5.4271 3  978.9064147  72503 303733340      733241        s-trans-Propenoic acid
  435999.2696  0.2554 -5.4271 3  978.9064147  72503 303733341      733242        s-trans-Propenoic acid
  436032.5682  0.0098 -3.8933 3  509.2916115  72503 303571245      561244        s-trans-Propenoic acid
  436037.9187  0.1223 -5.7631 3  413.1659 65  72503 3033232 0      3231 1        s-trans-Propenoic acid
  436037.9187  0.1223 -5.7631 3  413.1659 65  72503 3033232 1      3231 2        s-trans-Propenoic acid
  436145.0459  0.0097 -3.8616 3  486.4894111  72503 303551342      541341        s-trans-Propenoic acid
  436301.9558  0.0919 -5.7291 3 1081.4678179  72503 303891277      891178        s-trans-Propenoic acid
  436301.9558  0.0919 -5.7291 3 1081.4678179  72503 303891377      891278        s-trans-Propenoic acid
  436356.1576  0.0080 -3.8855 3  501.4665113  72503 303561443      551442        s-trans-Propenoic acid
  436445.6460  0.0305 -5.9060 3  405.5273 95  72503 303471830      471631        s-trans-Propenoic acid
  436493.8775  0.0237 -4.0656 3  199.7325 45  72503 3032220 2      2119 3        s-trans-Propenoic acid
  436493.8775  0.0237 -4.0656 3  199.7325 45  72503 3032220 3      2119 2        s-trans-Propenoic acid
  436519.2079  0.0432 -4.1902 3  618.5352115  72503 303572631      562630        s-trans-Propenoic acid
  436519.2079  0.0432 -4.1902 3  618.5352115  72503 303572632      562631        s-trans-Propenoic acid
  436554.5978  0.2412 -5.9121 3 1121.8291117  72503 3035853 5      5753 4        s-trans-Propenoic acid
  436554.5978  0.2412 -5.9121 3 1121.8291117  72503 3035853 6      5753 5        s-trans-Propenoic acid
  436588.4069  0.0296 -4.8822 3  537.2079117  72503 303581444      571543        s-trans-Propenoic acid
  436692.2269  0.0148 -3.9747 3  534.7299113  72503 303561938      551937        s-trans-Propenoic acid
  436698.9543  0.2317 -5.7863 3 1097.6856117  72503 3035852 6      5752 5        s-trans-Propenoic acid
  436698.9543  0.2317 -5.7863 3 1097.6856117  72503 3035852 7      5752 6        s-trans-Propenoic acid
  436720.7192  0.0048 -5.2049 3  220.2546 69  72503 303341024      33 825        s-trans-Propenoic acid
  436747.3064  0.0906 -5.8013 3  621.6614125  72503 303621844      621547        s-trans-Propenoic acid
  436750.1866  0.0148 -3.9746 3  534.7321113  72503 303561937      551936        s-trans-Propenoic acid
  436752.5140  0.0304 -5.9054 3  405.5171 95  72503 303471829      471632        s-trans-Propenoic acid
  436765.9983  0.2430 -5.3969 3  960.2527145  72503 303723339      723240        s-trans-Propenoic acid
  436765.9983  0.2430 -5.3969 3  960.2527145  72503 303723340      723241        s-trans-Propenoic acid
  436766.1677  0.0069 -5.8787 3  138.6633 49  72503 30324 916      23 617        s-trans-Propenoic acid
  436818.4960  0.0740 -5.9590 3  534.7298113  72503 303561937      561740        s-trans-Propenoic acid
  436823.1273  0.0111 -4.6400 3  509.2916115  72503 303571345      561244        s-trans-Propenoic acid
  436846.7419  0.2223 -5.6737 3 1074.0022117  72503 3035851 7      5751 6        s-trans-Propenoic acid
  436846.7419  0.2223 -5.6737 3 1074.0022117  72503 3035851 8      5751 7        s-trans-Propenoic acid
  436881.7270  0.0615 -5.0354 3  574.2211121  72503 303601545      591644        s-trans-Propenoic acid
  436998.3433  0.2131 -5.5711 3 1050.7791117  72503 3035850 8      5750 7        s-trans-Propenoic acid
  436998.3433  0.2131 -5.5711 3 1050.7791117  72503 3035850 9      5750 8        s-trans-Propenoic acid
  437005.3810  0.0372 -5.9307 3  401.6376 99  72503 303491336      491039        s-trans-Propenoic acid
  437154.1816  0.2041 -5.4762 3 1028.0168117  72503 3035849 9      5749 8        s-trans-Propenoic acid
  437154.1816  0.2041 -5.4762 3 1028.0168117  72503 303584910      5749 9        s-trans-Propenoic acid
  437218.6735  0.0092 -4.7414 3  516.0218115  72503 303571344      561443        s-trans-Propenoic acid
  437257.9032  0.0387 -4.1564 3  607.0720115  72503 303572532      562531        s-trans-Propenoic acid
  437257.9032  0.0387 -4.1564 3  607.0720115  72503 303572533      562532        s-trans-Propenoic acid
  437309.7579  0.5444 -5.9394 3 1282.2366175  72503 303873453      873354        s-trans-Propenoic acid
  437309.7586  0.5444 -5.9394 3 1282.2366175  72503 303873454      873355        s-trans-Propenoic acid
  437314.7255  0.1953 -5.3878 3 1005.7156117  72503 303584810      5748 9        s-trans-Propenoic acid
  437314.7255  0.1953 -5.3878 3 1005.7156117  72503 303584811      574810        s-trans-Propenoic acid
  437430.6999  0.0686 -5.4402 3  799.9885159  72503 30379 673      79 574        s-trans-Propenoic acid
  437430.6999  0.0686 -5.8763 3  799.9885159  72503 30379 673      79 674        s-trans-Propenoic acid
  437430.6999  0.0686 -5.8763 3  799.9885159  72503 30379 773      79 574        s-trans-Propenoic acid
  437430.6999  0.0686 -5.4402 3  799.9885159  72503 30379 773      79 674        s-trans-Propenoic acid
  437480.4949  0.1866 -5.3047 3  983.8758117  72503 303584711      574710        s-trans-Propenoic acid
  437480.4949  0.1866 -5.3047 3  983.8758117  72503 303584712      574711        s-trans-Propenoic acid
  437481.8924  0.1058 -5.8112 3 1138.7449183  72503 303911378      911279        s-trans-Propenoic acid
  437481.8925  0.1058 -5.8112 3 1138.7449183  72503 303911478      911379        s-trans-Propenoic acid
  437496.8952  0.0721 -5.9548 3  520.1366111  72503 303551937      551738        s-trans-Propenoic acid
  437499.4740  0.2313 -5.3675 3  941.8642143  72503 303713338      713239        s-trans-Propenoic acid
  437499.4740  0.2313 -5.3675 3  941.8642143  72503 303713339      713240        s-trans-Propenoic acid
  437526.3174  0.0052 -5.6565 3  137.7416 53  72503 30326 422      25 323        s-trans-Propenoic acid
  437652.0688  0.1781 -5.2262 3  962.4980117  72503 303584612      574611        s-trans-Propenoic acid
  437652.0688  0.1781 -5.2262 3  962.4980117  72503 303584613      574612        s-trans-Propenoic acid
  437725.1817  0.0190 -4.0942 3  202.5534 49  72503 3032419 5      2318 6        s-trans-Propenoic acid
  437725.1817  0.0190 -4.0942 3  202.5534 49  72503 3032419 6      2318 5        s-trans-Propenoic acid
  437779.2613  0.0747 -5.5491 3  936.5949169  72503 30384 975      84 876        s-trans-Propenoic acid
  437779.2613  0.0747 -5.5491 3  936.5949169  72503 303841075      84 976        s-trans-Propenoic acid
  437830.0930  0.1699 -5.1517 3  941.5824117  72503 303584513      574512        s-trans-Propenoic acid
  437830.0930  0.1699 -5.1517 3  941.5824117  72503 303584514      574513        s-trans-Propenoic acid
  437864.7951  0.0051 -5.6560 3  137.7415 53  72503 30326 522      25 223        s-trans-Propenoic acid
  437948.6737  0.0052 -5.4624 3  148.1935 55  72503 30327 522      26 423        s-trans-Propenoic acid
  437970.5301  0.0052 -5.8437 3  148.1927 55  72503 30327 522      26 323        s-trans-Propenoic acid
  438007.6618  0.0059 -5.4606 3  158.8717 55  72503 30327 919      26 620        s-trans-Propenoic acid
  438015.2896  0.1617 -5.0808 3  921.1297117  72503 303584414      574413        s-trans-Propenoic acid
  438015.2896  0.1617 -5.0808 3  921.1297117  72503 303584415      574414        s-trans-Propenoic acid
  438057.8661  0.1197 -5.8063 3  588.7939121  72503 303601842      601545        s-trans-Propenoic acid
  438100.1995  0.0344 -4.1239 3  596.1123115  72503 303572434      562433        s-trans-Propenoic acid
  438100.2000  0.0344 -4.1239 3  596.1123115  72503 303572433      562432        s-trans-Propenoic acid
  438200.9799  0.2205 -5.3390 3  923.7405141  72503 303703337      703238        s-trans-Propenoic acid
  438200.9799  0.2205 -5.3390 3  923.7405141  72503 303703338      703239        s-trans-Propenoic acid
  438208.4692  0.1538 -5.0131 3  901.1402117  72503 303584315      574314        s-trans-Propenoic acid
  438208.4692  0.1538 -5.0131 3  901.1402117  72503 303584316      574315        s-trans-Propenoic acid
  438340.5883  0.0057 -4.6650 3  252.6737 75  72503 303371126      361027        s-trans-Propenoic acid
  438364.9128  0.0684 -5.4448 3  719.1073153  72503 30376 472      76 373        s-trans-Propenoic acid
  438364.9128  0.0684 -5.8667 3  719.1073153  72503 30376 472      76 473        s-trans-Propenoic acid
  438364.9128  0.0684 -5.8667 3  719.1073153  72503 30376 572      76 373        s-trans-Propenoic acid
  438364.9128  0.0684 -5.4448 3  719.1073153  72503 30376 572      76 473        s-trans-Propenoic acid
  438410.5435  0.1461 -4.9484 3  881.6146117  72503 303584216      574215        s-trans-Propenoic acid
  438410.5435  0.1461 -4.9484 3  881.6146117  72503 303584217      574216        s-trans-Propenoic acid
  438439.3526  0.1241 -5.8990 3 1197.3081187  72503 303931479      931380        s-trans-Propenoic acid
  438439.3527  0.1241 -5.8990 3 1197.3081187  72503 303931579      931480        s-trans-Propenoic acid
  438573.9485  0.5176 -5.8985 3 1259.8602173  72503 303863452      863353        s-trans-Propenoic acid
  438573.9488  0.5176 -5.8985 3 1259.8602173  72503 303863453      863354        s-trans-Propenoic acid
  438597.0964  0.0201 -3.9041 3  565.0465137  72503 30368 266      67 265        s-trans-Propenoic acid
  438597.0964  0.0201 -4.3170 3  565.0465137  72503 30368 266      67 365        s-trans-Propenoic acid
  438597.0964  0.0201 -4.3170 3  565.0465137  72503 30368 366      67 265        s-trans-Propenoic acid
  438597.0964  0.0201 -3.9041 3  565.0465137  72503 30368 366      67 365        s-trans-Propenoic acid
  438599.6975  0.0239 -3.8973 3  566.0795139  72503 30369 168      68 167        s-trans-Propenoic acid
  438599.6975  0.0239 -4.2954 3  566.0795139  72503 30369 168      68 267        s-trans-Propenoic acid
  438599.6975  0.0239 -4.2954 3  566.0795139  72503 30369 268      68 167        s-trans-Propenoic acid
  438599.6975  0.0239 -3.8973 3  566.0795139  72503 30369 268      68 267        s-trans-Propenoic acid
  438600.0453  0.0178 -3.9099 3  563.4934135  72503 30367 364      66 363        s-trans-Propenoic acid
  438600.0453  0.0178 -4.3389 3  563.4934135  72503 30367 364      66 463        s-trans-Propenoic acid
  438600.0453  0.0178 -4.3389 3  563.4934135  72503 30367 464      66 363        s-trans-Propenoic acid
  438600.0453  0.0178 -3.9099 3  563.4934135  72503 30367 464      66 463        s-trans-Propenoic acid
  438603.8634  0.0295 -3.8896 3  566.5987141  72503 30370 070      69 069        s-trans-Propenoic acid
  438603.8634  0.0295 -4.2742 3  566.5987141  72503 30370 070      69 169        s-trans-Propenoic acid
  438603.8634  0.0295 -4.2742 3  566.5987141  72503 30370 170      69 069        s-trans-Propenoic acid
  438603.8634  0.0295 -3.8896 3  566.5987141  72503 30370 170      69 169        s-trans-Propenoic acid
  438613.9930  0.0164 -3.9146 3  561.4131133  72503 30366 462      65 461        s-trans-Propenoic acid
  438613.9930  0.0164 -4.3616 3  561.4131133  72503 30366 462      65 561        s-trans-Propenoic acid
  438613.9930  0.0164 -4.3616 3  561.4131133  72503 30366 562      65 461        s-trans-Propenoic acid
  438613.9930  0.0164 -3.9146 3  561.4131133  72503 30366 562      65 561        s-trans-Propenoic acid
  438622.5420  0.1385 -4.8863 3  862.5534117  72503 303584117      574116        s-trans-Propenoic acid
  438622.5420  0.1385 -4.8863 3  862.5534117  72503 303584118      574117        s-trans-Propenoic acid
  438636.1922  0.0712 -5.5815 3  641.3001147  72503 30373 271      73 172        s-trans-Propenoic acid
  438636.1922  0.0712 -5.5815 3  641.3001147  72503 30373 371      73 272        s-trans-Propenoic acid
  438646.5101  0.0155 -3.9183 3  558.7962131  72503 30365 560      64 559        s-trans-Propenoic acid
  438646.5101  0.0155 -4.3851 3  558.7962131  72503 30365 560      64 659        s-trans-Propenoic acid
  438646.5101  0.0155 -4.3851 3  558.7962131  72503 30365 660      64 559        s-trans-Propenoic acid
  438646.5101  0.0155 -3.9183 3  558.7962131  72503 30365 660      64 659        s-trans-Propenoic acid
  438669.1764  0.0038 -4.3976 3  252.3979 73  72503 303361324      351223        s-trans-Propenoic acid
  438708.3292  0.0148 -3.9209 3  555.6316129  72503 30364 658      63 657        s-trans-Propenoic acid
  438708.3292  0.0148 -4.4099 3  555.6316129  72503 30364 658      63 757        s-trans-Propenoic acid
  438708.3292  0.0148 -4.4099 3  555.6316129  72503 30364 758      63 657        s-trans-Propenoic acid
  438708.3292  0.0148 -3.9209 3  555.6316129  72503 30364 758      63 757        s-trans-Propenoic acid
  438815.0577  0.0142 -4.4364 3  551.9046127  72503 30363 756      62 855        s-trans-Propenoic acid
  438815.0577  0.0142 -3.9222 3  551.9046127  72503 30363 856      62 855        s-trans-Propenoic acid
  438815.0578  0.0142 -3.9222 3  551.9046127  72503 30363 756      62 755        s-trans-Propenoic acid
  438815.0578  0.0142 -4.4364 3  551.9046127  72503 30363 856      62 755        s-trans-Propenoic acid
  438845.6307  0.1311 -4.8267 3  843.9573117  72503 303584018      574017        s-trans-Propenoic acid
  438845.6307  0.1311 -4.8267 3  843.9573117  72503 303584019      574018        s-trans-Propenoic acid
  438871.7408  0.2104 -5.3113 3  905.8811139  72503 303693336      693237        s-trans-Propenoic acid
  438871.7408  0.2104 -5.3113 3  905.8811139  72503 303693337      693238        s-trans-Propenoic acid
  438911.5672  0.0149 -4.1255 3  206.8842 53  72503 3032618 8      2517 9        s-trans-Propenoic acid
  438911.5672  0.0149 -4.1255 3  206.8842 53  72503 3032618 9      2517 8        s-trans-Propenoic acid
  438953.5376  0.0553 -5.8941 3  416.2145 99  72503 303491633      491336        s-trans-Propenoic acid
  438967.7130  0.0122 -3.9485 3  527.0454113  72503 303561839      551838        s-trans-Propenoic acid
  438990.1528  0.0136 -4.4653 3  547.5963125  72503 30362 854      61 953        s-trans-Propenoic acid
  438990.1543  0.0136 -3.9223 3  547.5963125  72503 30362 954      61 953        s-trans-Propenoic acid
  438990.1558  0.0136 -3.9223 3  547.5963125  72503 30362 854      61 853        s-trans-Propenoic acid
  438990.1573  0.0136 -4.4653 3  547.5963125  72503 30362 954      61 853        s-trans-Propenoic acid
  439071.1029  0.0302 -4.0926 3  585.6649115  72503 303572335      562334        s-trans-Propenoic acid
  439071.1107  0.0302 -4.0926 3  585.6649115  72503 303572334      562333        s-trans-Propenoic acid
  439081.1354  0.1239 -4.7695 3  825.8270117  72503 303583919      573918        s-trans-Propenoic acid
  439081.1354  0.1239 -4.7695 3  825.8270117  72503 303583920      573919        s-trans-Propenoic acid
  439094.7532  0.0042 -5.8559 3  135.4420 45  72503 303221111      21 912        s-trans-Propenoic acid
  439147.1412  0.0042 -5.8558 3  135.4403 45  72503 303221112      21 913        s-trans-Propenoic acid
  439270.4059  0.0129 -4.4977 3  542.6817123  72503 30361 952      601051        s-trans-Propenoic acid
  439270.4569  0.0129 -3.9209 3  542.6817123  72503 303611052      601051        s-trans-Propenoic acid
  439270.5039  0.0129 -3.9209 3  542.6817123  72503 30361 952      60 951        s-trans-Propenoic acid
  439270.5548  0.0129 -4.4977 3  542.6817123  72503 303611052      60 951        s-trans-Propenoic acid
  439330.5694  0.1168 -4.7144 3  808.1634117  72503 303583820      573819        s-trans-Propenoic acid
  439330.5694  0.1168 -4.7144 3  808.1634117  72503 303583821      573820        s-trans-Propenoic acid
  439379.8957  0.0113 -5.9467 3  303.2029 83  72503 303411329      411032        s-trans-Propenoic acid
  439402.5057  0.0122 -3.9476 3  527.0641113  72503 303561838      551837        s-trans-Propenoic acid
  439512.9271  0.2010 -5.2844 3  888.2856137  72503 303683335      683236        s-trans-Propenoic acid
  439512.9271  0.2010 -5.2844 3  888.2856137  72503 303683336      683237        s-trans-Propenoic acid
  439595.6675  0.1100 -4.6614 3  790.9672117  72503 303583721      573720        s-trans-Propenoic acid
  439595.6675  0.1100 -4.6614 3  790.9672117  72503 303583722      573721        s-trans-Propenoic acid
  439598.7776  0.0806 -5.6125 3  990.5995173  72503 303861076      86 977        s-trans-Propenoic acid
  439598.7776  0.0806 -5.6125 3  990.5995173  72503 303861176      861077        s-trans-Propenoic acid
  439715.6970  0.0121 -4.5350 3  537.1257121  72503 303601050      591149        s-trans-Propenoic acid
  439717.0752  0.0121 -3.9179 3  537.1257121  72503 303601150      591149        s-trans-Propenoic acid
  439718.2524  0.0121 -3.9179 3  537.1256121  72503 303601050      591049        s-trans-Propenoic acid
  439719.6306  0.0121 -4.5350 3  537.1256121  72503 303601150      591049        s-trans-Propenoic acid
  439774.2702  0.0284 -5.9093 3  393.2947 93  72503 303461829      461630        s-trans-Propenoic acid
  439785.8131  0.4920 -5.8584 3 1237.7552171  72503 303853451      853352        s-trans-Propenoic acid
  439785.8132  0.4920 -5.8584 3 1237.7552171  72503 303853452      853353        s-trans-Propenoic acid
  439811.8061  0.0724 -5.4747 3  850.6678163  72503 30381 774      81 675        s-trans-Propenoic acid
  439811.8061  0.0724 -5.9177 3  850.6678163  72503 30381 774      81 775        s-trans-Propenoic acid
  439811.8061  0.0724 -5.9177 3  850.6678163  72503 30381 874      81 675        s-trans-Propenoic acid
  439811.8061  0.0724 -5.4747 3  850.6678163  72503 30381 874      81 775        s-trans-Propenoic acid
  439812.5754  0.0037 -4.3958 3  252.3663 73  72503 303361323      351224        s-trans-Propenoic acid
  439878.4277  0.1033 -4.6104 3  774.2396117  72503 303583622      573621        s-trans-Propenoic acid
  439878.4277  0.1033 -4.6104 3  774.2396117  72503 303583623      573622        s-trans-Propenoic acid
  439936.6266  0.0283 -5.9090 3  393.2893 93  72503 303461828      461631        s-trans-Propenoic acid
  439958.7220  0.0050 -5.8409 3  148.1935 55  72503 30327 622      26 423        s-trans-Propenoic acid
  439980.5784  0.0049 -5.4597 3  148.1927 55  72503 30327 622      26 323        s-trans-Propenoic acid
  440000.4878  0.0114 -4.1606 3  212.7440 57  72503 303281711      271612        s-trans-Propenoic acid
  440000.4878  0.0114 -4.1606 3  212.7440 57  72503 303281712      271611        s-trans-Propenoic acid
  440125.6588  0.1924 -5.2585 3  870.9536135  72503 303673334      673235        s-trans-Propenoic acid
  440125.6588  0.1924 -5.2585 3  870.9536135  72503 303673335      673236        s-trans-Propenoic acid
  440181.1625  0.0967 -4.5613 3  757.9816117  72503 303583523      573522        s-trans-Propenoic acid
  440181.1625  0.0967 -4.5613 3  757.9816117  72503 303583524      573523        s-trans-Propenoic acid
  440205.1033  0.0262 -4.0626 3  575.7412115  72503 303572236      562235        s-trans-Propenoic acid
  440205.2068  0.0262 -4.0626 3  575.7412115  72503 303572235      562234        s-trans-Propenoic acid
  440404.4578  0.0112 -4.5801 3  530.8771119  72503 303591148      581247        s-trans-Propenoic acid
  440433.5831  0.0113 -3.9128 3  530.8771119  72503 303591248      581247        s-trans-Propenoic acid
  440448.6071  0.0044 -5.5651 3  162.8494 55  72503 303271018      26 819        s-trans-Propenoic acid
  440456.2439  0.0113 -3.9127 3  530.8754119  72503 303591148      581147        s-trans-Propenoic acid
  440479.8715  0.0129 -3.8481 3  480.0471109  72503 303541539      531538        s-trans-Propenoic acid
  440485.3692  0.0114 -4.5799 3  530.8754119  72503 303591248      581147        s-trans-Propenoic acid
  440506.5637  0.0904 -4.5140 3  742.1946117  72503 303583424      573423        s-trans-Propenoic acid
  440506.5637  0.0904 -4.5140 3  742.1946117  72503 303583425      573424        s-trans-Propenoic acid
  440711.0086  0.1846 -5.2334 3  853.8847133  72503 303663333      663234        s-trans-Propenoic acid
  440711.0086  0.1846 -5.2334 3  853.8847133  72503 303663334      663235        s-trans-Propenoic acid
  440775.8641  0.0107 -3.8753 3  501.0377113  72503 303561343      551342        s-trans-Propenoic acid
  440840.3143  0.0492 -5.8947 3  446.9333105  72503 303521438      521141        s-trans-Propenoic acid
  440857.7835  0.0842 -4.4685 3  726.8800117  72503 303583325      573324        s-trans-Propenoic acid
  440857.7835  0.0842 -4.4685 3  726.8800117  72503 303583326      573325        s-trans-Propenoic acid
  440895.4044  0.0085 -4.2013 3  220.1618 61  72503 303301615      291514        s-trans-Propenoic acid
  440895.4060  0.0085 -4.2013 3  220.1618 61  72503 303301614      291515        s-trans-Propenoic acid
  440947.6361  0.4676 -5.8190 3 1215.9209169  72503 303843450      843351        s-trans-Propenoic acid
  440947.6361  0.4676 -5.8190 3 1215.9209169  72503 303843451      843352        s-trans-Propenoic acid
  441067.1237  0.0097 -4.6397 3  523.8625117  72503 303581246      571345        s-trans-Propenoic acid
  441089.5743  0.0716 -5.4446 3  767.7486157  72503 30378 573      78 474        s-trans-Propenoic acid
  441089.5743  0.0716 -5.8732 3  767.7486157  72503 30378 573      78 574        s-trans-Propenoic acid
  441089.5743  0.0716 -5.8732 3  767.7486157  72503 30378 673      78 474        s-trans-Propenoic acid
  441089.5743  0.0716 -5.4446 3  767.7486157  72503 30378 673      78 574        s-trans-Propenoic acid
  441135.7699  0.0045 -5.4914 3  173.6289 59  72503 30329 921      28 722        s-trans-Propenoic acid
  441160.8835  0.0045 -4.3116 3  239.8776 69  72503 303341421      331320        s-trans-Propenoic acid
  441186.5643  0.0045 -4.3116 3  239.8768 69  72503 303341420      331321        s-trans-Propenoic acid
  441223.3684  0.0883 -5.6833 3 1045.9083177  72503 303881177      881078        s-trans-Propenoic acid
  441223.3684  0.0883 -5.6833 3 1045.9083177  72503 303881277      881178        s-trans-Propenoic acid
  441238.5377  0.0782 -4.4246 3  712.0396117  72503 303583226      573225        s-trans-Propenoic acid
  441238.5377  0.0782 -4.4246 3  712.0396117  72503 303583227      573226        s-trans-Propenoic acid
  441270.0054  0.1773 -5.2092 3  837.0784131  72503 303653332      653233        s-trans-Propenoic acid
  441270.0054  0.1773 -5.2092 3  837.0784131  72503 303653333      653234        s-trans-Propenoic acid
  441309.5095  0.0079 -3.8901 3  507.5333113  72503 303561542      551541        s-trans-Propenoic acid
  441402.6691  0.0103 -3.9237 3  520.0062113  72503 303561740      551739        s-trans-Propenoic acid
  441412.5779  0.0062 -4.2501 3  229.1819 65  72503 303321518      311417        s-trans-Propenoic acid
  441412.8692  0.0062 -4.2501 3  229.1819 65  72503 303321517      311418        s-trans-Propenoic acid
  441452.8763  0.0049 -5.6834 3  158.9036 57  72503 30328 722      27 523        s-trans-Propenoic acid
  441470.9785  0.0677 -5.9480 3  520.0062111  72503 303551936      551739        s-trans-Propenoic acid
  441534.4037  0.0178 -4.6933 3  360.9102 93  72503 303461334      451233        s-trans-Propenoic acid
  441535.8955  0.0105 -3.9051 3  523.8625117  72503 303581346      571345        s-trans-Propenoic acid
  441551.5482  0.0224 -4.0337 3  566.3565115  72503 303572137      562136        s-trans-Propenoic acid
  441552.7599  0.0224 -4.0337 3  566.3566115  72503 303572136      562135        s-trans-Propenoic acid
  441637.4408  0.0049 -5.3154 3  158.8975 57  72503 30328 722      27 423        s-trans-Propenoic acid
  441640.2524  0.0781 -5.8128 3  611.1105145  72503 30372 171      72 072        s-trans-Propenoic acid
  441640.2524  0.0781 -5.8128 3  611.1105145  72503 30372 271      72 172        s-trans-Propenoic acid
  441653.2406  0.0724 -4.3823 3  697.6753117  72503 303583127      573126        s-trans-Propenoic acid
  441653.2406  0.0724 -4.3823 3  697.6753117  72503 303583128      573127        s-trans-Propenoic acid
  441680.3761  0.0726 -5.4974 3  687.8820151  72503 30375 372      75 273        s-trans-Propenoic acid
  441680.3761  0.0726 -5.9123 3  687.8820151  72503 30375 372      75 373        s-trans-Propenoic acid
  441680.3761  0.0726 -5.9123 3  687.8820151  72503 30375 472      75 273        s-trans-Propenoic acid
  441680.3761  0.0726 -5.4974 3  687.8820151  72503 30375 472      75 373        s-trans-Propenoic acid
  441704.1285  0.0133 -3.8840 3  499.5226111  72503 303551639      541638        s-trans-Propenoic acid
  441803.6368  0.1708 -5.1860 3  820.5344129  72503 303643331      643232        s-trans-Propenoic acid
  441803.6368  0.1708 -5.1860 3  820.5344129  72503 303643332      643233        s-trans-Propenoic acid
  441857.6827  0.0108 -3.9044 3  523.8361117  72503 303581246      571245        s-trans-Propenoic acid
  442017.5298  0.0767 -5.5211 3  902.6681167  72503 30383 875      83 776        s-trans-Propenoic acid
  442017.5298  0.0767 -5.5211 3  902.6681167  72503 30383 975      83 876        s-trans-Propenoic acid
  442061.5615  0.4443 -5.7804 3 1194.3567167  72503 303833449      833350        s-trans-Propenoic acid
  442061.5616  0.4443 -5.7804 3 1194.3567167  72503 303833450      833351        s-trans-Propenoic acid
  442062.1790  0.0905 -5.8489 3  490.9011109  72503 303541737      541440        s-trans-Propenoic acid
  442107.1799  0.0668 -4.3416 3  683.7896117  72503 303583028      573027        s-trans-Propenoic acid
  442107.1799  0.0668 -4.3416 3  683.7896117  72503 303583029      573028        s-trans-Propenoic acid
  442252.5926  0.2108 -5.4698 3  728.4528137  72503 303681850      671949        s-trans-Propenoic acid
  442312.8515  0.1649 -5.1637 3  804.2523127  72503 303633330      633231        s-trans-Propenoic acid
  442312.8515  0.1649 -5.1637 3  804.2523127  72503 303633331      633232        s-trans-Propenoic acid
  442325.9547  0.0070 -3.8321 3  476.1467109  72503 303541440      531439        s-trans-Propenoic acid
  442326.4545  0.0117 -4.6371 3  523.8361117  72503 303581346      571245        s-trans-Propenoic acid
  442385.4664  0.0069 -5.2072 3  177.0363 61  72503 30330 723      29 624        s-trans-Propenoic acid
  442606.7513  0.0613 -4.3025 3  670.3851117  72503 303582929      572928        s-trans-Propenoic acid
  442606.7513  0.0613 -4.3025 3  670.3851117  72503 303582930      572929        s-trans-Propenoic acid
  442629.6105  0.0092 -3.8956 3  516.0218115  72503 303571444      561443        s-trans-Propenoic acid
  442646.2671  0.0988 -5.7606 3 1102.5153181  72503 303901278      901179        s-trans-Propenoic acid
  442646.2671  0.0988 -5.7606 3 1102.5153181  72503 303901378      901279        s-trans-Propenoic acid
  442673.6113  0.0055 -5.3510 3  166.0121 57  72503 30328 920      27 621        s-trans-Propenoic acid
  442784.6163  0.0267 -5.9147 3  381.3453 91  72503 303451828      451629        s-trans-Propenoic acid
  442790.1199  0.0287 -4.0364 3  203.4488 43  72503 3032121 0      2020 1        s-trans-Propenoic acid
  442790.1199  0.0287 -4.0364 3  203.4488 43  72503 3032121 1      2020 0        s-trans-Propenoic acid
  442798.5624  0.1596 -5.1424 3  788.2317125  72503 303623329      623230        s-trans-Propenoic acid
  442798.5624  0.1596 -5.1424 3  788.2317125  72503 303623330      623231        s-trans-Propenoic acid
  442810.9826  0.0088 -3.9029 3  513.5766113  72503 303561641      551640        s-trans-Propenoic acid
  442868.5827  0.0267 -5.9145 3  381.3426 91  72503 303451827      451630        s-trans-Propenoic acid
  443061.3068  0.0068 -5.5631 3  177.0138 61  72503 30330 723      29 524        s-trans-Propenoic acid
  443129.6056  0.4222 -5.7426 3 1173.0620165  72503 303823448      823349        s-trans-Propenoic acid
  443129.6056  0.4222 -5.7426 3 1173.0620165  72503 303823449      823350        s-trans-Propenoic acid
  443159.7766  0.0560 -4.2648 3  657.4652117  72503 303582830      572829        s-trans-Propenoic acid
  443159.7766  0.0560 -4.2648 3  657.4652117  72503 303582831      572830        s-trans-Propenoic acid
  443182.3440  0.0188 -4.0059 3  557.5318115  72503 303572038      562037        s-trans-Propenoic acid
  443194.5955  0.0188 -4.0059 3  557.5322115  72503 303572037      562036        s-trans-Propenoic acid
  443261.6479  0.1548 -5.1220 3  772.4723123  72503 303613328      613229        s-trans-Propenoic acid
  443261.6479  0.1548 -5.1220 3  772.4723123  72503 303613329      613230        s-trans-Propenoic acid
  443645.4704  0.0642 -5.9429 3  505.6467109  72503 303541936      541737        s-trans-Propenoic acid
  443649.7092  0.0753 -5.4651 3  817.7218161  72503 30380 674      80 575        s-trans-Propenoic acid
  443649.7092  0.0753 -5.9005 3  817.7218161  72503 30380 674      80 675        s-trans-Propenoic acid
  443649.7092  0.0753 -5.9005 3  817.7218161  72503 30380 774      80 575        s-trans-Propenoic acid
  443649.7092  0.0753 -5.4651 3  817.7218161  72503 30380 774      80 675        s-trans-Propenoic acid
  443702.9545  0.1506 -5.1027 3  756.9738121  72503 303603327      603228        s-trans-Propenoic acid
  443702.9545  0.1506 -5.1027 3  756.9738121  72503 303603328      603229        s-trans-Propenoic acid
  443775.9451  0.0509 -4.2285 3  645.0338117  72503 303582731      572730        s-trans-Propenoic acid
  443775.9451  0.0509 -4.2285 3  645.0338117  72503 303582732      572731        s-trans-Propenoic acid
  443859.9591  0.1130 -5.8440 3 1160.4148185  72503 303921379      921280        s-trans-Propenoic acid
  443859.9591  0.1130 -5.8440 3 1160.4148185  72503 303921479      921380        s-trans-Propenoic acid
  443940.7575  0.0117 -3.9189 3  520.1366113  72503 303561739      551738        s-trans-Propenoic acid
  444034.5474  0.0234 -4.0635 3  205.2846 47  72503 3032320 3      2219 4        s-trans-Propenoic acid
  444034.5474  0.0234 -4.0635 3  205.2846 47  72503 3032320 4      2219 3        s-trans-Propenoic acid
  444043.0533  0.0816 -5.5774 3  955.9839171  72503 30385 976      85 877        s-trans-Propenoic acid
  444043.0533  0.0816 -5.5774 3  955.9839171  72503 303851076      85 977        s-trans-Propenoic acid
  444064.5144  0.0038 -4.5327 3  266.7145 77  72503 303381226      371127        s-trans-Propenoic acid
  444123.2984  0.1469 -5.0844 3  741.7357119  72503 303593326      593227        s-trans-Propenoic acid
  444123.2984  0.1469 -5.0844 3  741.7357119  72503 303593327      593228        s-trans-Propenoic acid
  444132.7126  0.2570 -5.8521 3 1136.3910119  72503 3035953 6      5853 5        s-trans-Propenoic acid
  444132.7126  0.2570 -5.8521 3 1136.3910119  72503 3035953 7      5853 6        s-trans-Propenoic acid
  444153.6676  0.4011 -5.7056 3 1152.0362163  72503 303813447      813348        s-trans-Propenoic acid
  444153.6676  0.4011 -5.7056 3 1152.0362163  72503 303813448      813349        s-trans-Propenoic acid
  444282.3588  0.2468 -5.7385 3 1112.2523119  72503 3035952 7      5852 6        s-trans-Propenoic acid
  444282.3588  0.2468 -5.7385 3 1112.2523119  72503 3035952 8      5852 7        s-trans-Propenoic acid
  444435.6632  0.2368 -5.6348 3 1088.5738119  72503 3035951 8      5851 7        s-trans-Propenoic acid
  444435.6632  0.2368 -5.6348 3 1088.5738119  72503 3035951 9      5851 8        s-trans-Propenoic acid
  444467.4431  0.0459 -4.1937 3  633.0959117  72503 303582632      572631        s-trans-Propenoic acid
  444467.4431  0.0459 -4.1937 3  633.0959117  72503 303582633      572632        s-trans-Propenoic acid
  444523.4673  0.1437 -5.0673 3  726.7577117  72503 303583325      583226        s-trans-Propenoic acid
  444523.4673  0.1437 -5.0673 3  726.7577117  72503 303583326      583227        s-trans-Propenoic acid
  444547.3727  0.0627 -5.8706 3  494.9380111  72503 303551540      551243        s-trans-Propenoic acid
  444568.9589  0.0753 -5.4675 3  735.8065155  72503 30377 473      77 374        s-trans-Propenoic acid
  444568.9589  0.0753 -5.8890 3  735.8065155  72503 30377 473      77 474        s-trans-Propenoic acid
  444568.9589  0.0753 -5.8890 3  735.8065155  72503 30377 573      77 374        s-trans-Propenoic acid
  444568.9589  0.0753 -5.4675 3  735.8065155  72503 30377 573      77 474        s-trans-Propenoic acid
  444574.0185  0.0040 -4.4134 3  261.8057 75  72503 303371325      361224        s-trans-Propenoic acid
  444593.0293  0.2271 -5.5390 3 1065.3558119  72503 3035950 9      5850 8        s-trans-Propenoic acid
  444593.0293  0.2271 -5.5390 3 1065.3558119  72503 303595010      5850 9        s-trans-Propenoic acid
  444754.9032  0.2175 -5.4495 3 1042.5987119  72503 303594910      5849 9        s-trans-Propenoic acid
  444754.9032  0.2175 -5.4495 3 1042.5987119  72503 303594911      584910        s-trans-Propenoic acid
  444803.3618  0.0220 -3.9162 3  579.6765139  72503 30369 267      68 266        s-trans-Propenoic acid
  444803.3618  0.0220 -4.3285 3  579.6765139  72503 30369 267      68 366        s-trans-Propenoic acid
  444803.3618  0.0220 -4.3285 3  579.6765139  72503 30369 367      68 266        s-trans-Propenoic acid
  444803.3618  0.0220 -3.9162 3  579.6765139  72503 30369 367      68 366        s-trans-Propenoic acid
  444805.7951  0.0194 -3.9218 3  578.1235137  72503 30368 365      67 364        s-trans-Propenoic acid
  444805.7951  0.0194 -4.3500 3  578.1235137  72503 30368 365      67 464        s-trans-Propenoic acid
  444805.7951  0.0194 -4.3500 3  578.1235137  72503 30368 465      67 364        s-trans-Propenoic acid
  444805.7951  0.0194 -3.9218 3  578.1235137  72503 30368 465      67 464        s-trans-Propenoic acid
  444806.1735  0.0261 -3.9095 3  580.7096141  72503 30370 169      69 168        s-trans-Propenoic acid
  444806.1735  0.0261 -4.3073 3  580.7096141  72503 30370 169      69 268        s-trans-Propenoic acid
  444806.1735  0.0261 -4.3073 3  580.7096141  72503 30370 269      69 168        s-trans-Propenoic acid
  444806.1735  0.0261 -3.9095 3  580.7096141  72503 30370 269      69 268        s-trans-Propenoic acid
  444810.3845  0.0321 -3.9019 3  581.2290143  72503 30371 071      70 070        s-trans-Propenoic acid
  444810.3845  0.0321 -4.2864 3  581.2290143  72503 30371 071      70 170        s-trans-Propenoic acid
  444810.3845  0.0321 -4.2864 3  581.2290143  72503 30371 171      70 070        s-trans-Propenoic acid
  444810.3845  0.0321 -3.9019 3  581.2290143  72503 30371 171      70 170        s-trans-Propenoic acid
  444818.7024  0.0178 -3.9264 3  576.0436135  72503 30367 463      66 462        s-trans-Propenoic acid
  444818.7024  0.0178 -4.3722 3  576.0436135  72503 30367 463      66 562        s-trans-Propenoic acid
  444818.7024  0.0178 -4.3722 3  576.0436135  72503 30367 563      66 462        s-trans-Propenoic acid
  444818.7024  0.0178 -3.9264 3  576.0436135  72503 30367 563      66 562        s-trans-Propenoic acid
  444835.7071  0.0783 -5.6021 3  656.9652149  72503 30374 272      74 173        s-trans-Propenoic acid
  444835.7071  0.0783 -5.6021 3  656.9652149  72503 30374 372      74 273        s-trans-Propenoic acid
  444849.3066  0.0168 -3.9300 3  573.4279133  72503 30366 561      65 560        s-trans-Propenoic acid
  444849.3066  0.0168 -4.3951 3  573.4279133  72503 30366 561      65 660        s-trans-Propenoic acid
  444849.3066  0.0168 -4.3951 3  573.4279133  72503 30366 661      65 560        s-trans-Propenoic acid
  444849.3066  0.0168 -3.9300 3  573.4279133  72503 30366 661      65 660        s-trans-Propenoic acid
  444856.0729  0.1315 -5.9330 3 1219.6010189  72503 303941480      941381        s-trans-Propenoic acid
  444856.0729  0.1315 -5.9330 3 1219.6010189  72503 303941580      941481        s-trans-Propenoic acid
  444899.5884  0.0048 -5.5604 3  169.8484 59  72503 30329 822      28 623        s-trans-Propenoic acid
  444904.2215  0.1409 -5.0512 3  712.0396115  72503 303573324      573225        s-trans-Propenoic acid
  444904.2215  0.1409 -5.0512 3  712.0396115  72503 303573325      573226        s-trans-Propenoic acid
  444907.7786  0.0162 -3.9324 3  570.2653131  72503 30365 659      64 658        s-trans-Propenoic acid
  444907.7786  0.0162 -4.4193 3  570.2653131  72503 30365 659      64 758        s-trans-Propenoic acid
  444907.7786  0.0162 -4.4193 3  570.2653131  72503 30365 759      64 658        s-trans-Propenoic acid
  444907.7786  0.0162 -3.9324 3  570.2653131  72503 30365 759      64 758        s-trans-Propenoic acid
  444921.7788  0.2080 -5.3654 3 1020.3028119  72503 303594811      584810        s-trans-Propenoic acid
  444921.7788  0.2080 -5.3654 3 1020.3028119  72503 303594812      584811        s-trans-Propenoic acid
  445008.7946  0.0155 -3.9337 3  566.5418129  72503 30364 757      63 756        s-trans-Propenoic acid
  445008.7946  0.0155 -4.4450 3  566.5418129  72503 30364 757      63 856        s-trans-Propenoic acid
  445008.7946  0.0155 -4.4450 3  566.5418129  72503 30364 857      63 756        s-trans-Propenoic acid
  445008.7946  0.0155 -3.9337 3  566.5418129  72503 30364 857      63 856        s-trans-Propenoic acid
  445094.2048  0.1988 -5.2859 3  998.4686119  72503 303594712      584711        s-trans-Propenoic acid
  445094.2048  0.1988 -5.2859 3  998.4686119  72503 303594713      584712        s-trans-Propenoic acid
  445135.5405  0.3811 -5.6694 3 1131.2789161  72503 303803446      803347        s-trans-Propenoic acid
  445135.5405  0.3811 -5.6694 3 1131.2789161  72503 303803447      803348        s-trans-Propenoic acid
  445174.2044  0.0149 -4.4730 3  562.2395127  72503 30363 855      62 954        s-trans-Propenoic acid
  445174.2052  0.0149 -3.9336 3  562.2395127  72503 30363 955      62 954        s-trans-Propenoic acid
  445174.2059  0.0149 -3.9336 3  562.2395127  72503 30363 855      62 854        s-trans-Propenoic acid
  445174.2067  0.0149 -4.4730 3  562.2395127  72503 30363 955      62 854        s-trans-Propenoic acid
  445190.0367  0.0156 -3.9789 3  549.2964115  72503 303571939      561938        s-trans-Propenoic acid
  445249.8772  0.0411 -4.1602 3  621.6574117  72503 303582534      572533        s-trans-Propenoic acid
  445249.8773  0.0411 -4.1602 3  621.6574117  72503 303582533      572532        s-trans-Propenoic acid
  445255.9114  0.0187 -4.0926 3  208.6206 51  72503 3032519 6      2418 7        s-trans-Propenoic acid
  445255.9114  0.0187 -4.0926 3  208.6206 51  72503 3032519 7      2418 6        s-trans-Propenoic acid
  445266.2961  0.1386 -5.0363 3  697.5810113  72503 303563323      563224        s-trans-Propenoic acid
  445266.2961  0.1386 -5.0363 3  697.5810113  72503 303563324      563225        s-trans-Propenoic acid
  445272.7916  0.1898 -5.2104 3  977.0965119  72503 303594613      584612        s-trans-Propenoic acid
  445272.7916  0.1898 -5.2104 3  977.0965119  72503 303594614      584613        s-trans-Propenoic acid
  445294.9568  0.0156 -3.9787 3  549.3005115  72503 303571938      561937        s-trans-Propenoic acid
  445389.5378  0.0081 -4.7244 3  530.7863117  72503 303581345      571444        s-trans-Propenoic acid
  445437.8913  0.0141 -4.5041 3  557.3342125  72503 30362 953      611052        s-trans-Propenoic acid
  445437.9177  0.0141 -3.9322 3  557.3342125  72503 303621053      611052        s-trans-Propenoic acid
  445437.9423  0.0141 -3.9322 3  557.3342125  72503 30362 953      61 952        s-trans-Propenoic acid
  445437.9687  0.0141 -4.5041 3  557.3342125  72503 303621053      61 952        s-trans-Propenoic acid
  445458.2207  0.1810 -5.1385 3  956.1869119  72503 303594514      584513        s-trans-Propenoic acid
  445458.2207  0.1810 -5.1385 3  956.1869119  72503 303594515      584514        s-trans-Propenoic acid
  445520.8994  0.0255 -5.9222 3  369.6766 89  72503 303441827      441628        s-trans-Propenoic acid
  445540.5333  0.0041 -5.7981 3  141.1037 47  72503 303231112      22 913        s-trans-Propenoic acid
  445563.3352  0.0254 -5.9221 3  369.6752 89  72503 303441826      441629        s-trans-Propenoic acid
  445610.4017  0.1366 -5.0227 3  683.3815111  72503 303553322      553223        s-trans-Propenoic acid
  445610.4017  0.1366 -5.0227 3  683.3815111  72503 303553323      553224        s-trans-Propenoic acid
  445651.2543  0.1723 -5.0697 3  935.7403119  72503 303594415      584414        s-trans-Propenoic acid
  445651.2543  0.1723 -5.0697 3  935.7403119  72503 303594416      584415        s-trans-Propenoic acid
  445654.9545  0.0116 -3.8889 3  515.7404115  72503 303571344      561343        s-trans-Propenoic acid
  445660.1094  0.0041 -5.7979 3  141.0997 47  72503 303231113      22 914        s-trans-Propenoic acid
  445823.6482  0.0886 -5.8320 3  638.3110127  72503 303631845      631548        s-trans-Propenoic acid
  445852.7480  0.1639 -5.0039 3  915.7573119  72503 303594316      584315        s-trans-Propenoic acid
  445852.7480  0.1639 -5.0039 3  915.7573119  72503 303594317      584316        s-trans-Propenoic acid
  445854.6911  0.0134 -4.5398 3  551.7931123  72503 303611051      601150        s-trans-Propenoic acid
  445855.4300  0.0134 -3.9291 3  551.7931123  72503 303611151      601150        s-trans-Propenoic acid
  445856.0693  0.0134 -3.9291 3  551.7930123  72503 303611051      601050        s-trans-Propenoic acid
  445856.8081  0.0134 -4.5398 3  551.7930123  72503 303611151      601050        s-trans-Propenoic acid
  445883.0763  0.0876 -5.6421 3 1010.6096175  72503 303871077      87 978        s-trans-Propenoic acid
  445883.0763  0.0876 -5.6421 3 1010.6096175  72503 303871177      871078        s-trans-Propenoic acid
  445937.2257  0.1349 -5.0104 3  669.4409109  72503 303543321      543222        s-trans-Propenoic acid
  445937.2257  0.1349 -5.0104 3  669.4409109  72503 303543322      543223        s-trans-Propenoic acid
  445991.3524  0.0618 -5.9388 3  505.5696109  72503 303541935      541738        s-trans-Propenoic acid
  446041.4595  0.0794 -5.5009 3  869.0216165  72503 30382 775      82 676        s-trans-Propenoic acid
  446041.4595  0.0794 -5.9431 3  869.0216165  72503 30382 775      82 776        s-trans-Propenoic acid
  446041.4595  0.0794 -5.9431 3  869.0216165  72503 30382 875      82 676        s-trans-Propenoic acid
  446041.4595  0.0794 -5.5009 3  869.0216165  72503 30382 875      82 776        s-trans-Propenoic acid
  446063.6648  0.1556 -4.9408 3  896.2384119  72503 303594217      584216        s-trans-Propenoic acid
  446063.6648  0.1556 -4.9408 3  896.2384119  72503 303594218      584217        s-trans-Propenoic acid
  446076.7325  0.0047 -5.2194 3  169.8092 59  72503 30329 822      28 523        s-trans-Propenoic acid
  446076.9189  0.3621 -5.6340 3 1110.7894159  72503 303793445      793346        s-trans-Propenoic acid
  446076.9189  0.3621 -5.6340 3 1110.7894159  72503 303793446      793347        s-trans-Propenoic acid
  446143.6813  0.0365 -4.1280 3  610.7258117  72503 303582435      572434        s-trans-Propenoic acid
  446143.6824  0.0365 -4.1280 3  610.7258117  72503 303582434      572433        s-trans-Propenoic acid
  446247.4336  0.1335 -4.9994 3  655.7590107  72503 303533320      533221        s-trans-Propenoic acid
  446247.4336  0.1335 -4.9994 3  655.7590107  72503 303533321      533222        s-trans-Propenoic acid
  446285.0920  0.1475 -4.8802 3  877.1843119  72503 303594118      584117        s-trans-Propenoic acid
  446285.0920  0.1475 -4.8802 3  877.1843119  72503 303594119      584118        s-trans-Propenoic acid
  446420.8080  0.0147 -4.1246 3  213.4714 55  72503 3032718 9      261710        s-trans-Propenoic acid
  446420.8080  0.0147 -4.1246 3  213.4714 55  72503 303271810      2617 9        s-trans-Propenoic acid
  446504.9125  0.0125 -4.5824 3  545.5684121  72503 303601149      591248        s-trans-Propenoic acid
  446518.2621  0.1396 -4.8219 3  858.5956119  72503 303594019      584018        s-trans-Propenoic acid
  446518.2621  0.1396 -4.8219 3  858.5956119  72503 303594020      584019        s-trans-Propenoic acid
  446521.1668  0.0125 -3.9240 3  545.5684121  72503 303601249      591248        s-trans-Propenoic acid
  446534.0378  0.0126 -3.9240 3  545.5674121  72503 303601149      591148        s-trans-Propenoic acid
  446541.6700  0.1325 -4.9899 3  642.3353105  72503 303523319      523220        s-trans-Propenoic acid
  446541.6700  0.1325 -4.9899 3  642.3353105  72503 303523320      523221        s-trans-Propenoic acid
  446550.2921  0.0126 -4.5823 3  545.5674121  72503 303601249      591148        s-trans-Propenoic acid
  446693.9683  0.0038 -4.4101 3  261.7477 75  72503 303371324      361225        s-trans-Propenoic acid
  446764.5769  0.1319 -4.7658 3  840.4732119  72503 303593920      583919        s-trans-Propenoic acid
  446764.5769  0.1319 -4.7658 3  840.4732119  72503 303593921      583920        s-trans-Propenoic acid
  446782.1446  0.0117 -5.9428 3  313.9645 85  72503 303421330      421033        s-trans-Propenoic acid
  446820.5594  0.1316 -4.9819 3  629.1696103  72503 303513318      513219        s-trans-Propenoic acid
  446820.5594  0.1316 -4.9819 3  629.1696103  72503 303513319      513220        s-trans-Propenoic acid
  446951.2932  0.0079 -5.1007 3  196.4449 65  72503 30332 824      31 725        s-trans-Propenoic acid
  446979.4081  0.3441 -5.5993 3 1090.5673157  72503 303783444      783345        s-trans-Propenoic acid
  446979.4081  0.3441 -5.5993 3 1090.5673157  72503 303783445      783346        s-trans-Propenoic acid
  447025.6375  0.1244 -4.7118 3  822.8178119  72503 303593821      583820        s-trans-Propenoic acid
  447025.6375  0.1244 -4.7118 3  822.8178119  72503 303593822      583821        s-trans-Propenoic acid
  447084.7070  0.1310 -4.9755 3  616.2616101  72503 303503317      503218        s-trans-Propenoic acid
  447084.7070  0.1310 -4.9755 3  616.2616101  72503 303503318      503219        s-trans-Propenoic acid
  447150.7112  0.2817 -5.6020 3  790.4941143  72503 303711952      702051        s-trans-Propenoic acid
  447176.3547  0.0320 -4.0971 3  600.3107117  72503 303582336      572335        s-trans-Propenoic acid
  447176.3716  0.0320 -4.0971 3  600.3107117  72503 303582335      572334        s-trans-Propenoic acid
  447288.1753  0.0112 -4.6374 3  538.5905119  72503 303591247      581346        s-trans-Propenoic acid
  447298.8081  0.0787 -5.4687 3  785.0682159  72503 30379 574      79 475        s-trans-Propenoic acid
  447298.8081  0.0787 -5.8968 3  785.0682159  72503 30379 574      79 575        s-trans-Propenoic acid
  447298.8081  0.0787 -5.8968 3  785.0682159  72503 30379 674      79 475        s-trans-Propenoic acid
  447298.8081  0.0787 -5.4687 3  785.0682159  72503 30379 674      79 575        s-trans-Propenoic acid
  447303.2804  0.1171 -4.6598 3  805.6305119  72503 303593722      583721        s-trans-Propenoic acid
  447303.2804  0.1171 -4.6598 3  805.6305119  72503 303593723      583722        s-trans-Propenoic acid
  447334.7000  0.1305 -4.9710 3  603.6111 99  72503 303493316      493217        s-trans-Propenoic acid
  447334.7000  0.1305 -4.9710 3  603.6111 99  72503 303493317      493218        s-trans-Propenoic acid
  447353.7240  0.0045 -5.5244 3  169.8780 57  72503 303281019      27 820        s-trans-Propenoic acid
  447452.2896  0.1311 -5.8367 3  572.5828119  72503 303591841      591544        s-trans-Propenoic acid
  447468.7823  0.0112 -4.1609 3  219.8582 59  72503 303291713      281612        s-trans-Propenoic acid
  447468.7824  0.0112 -4.1609 3  219.8582 59  72503 303291712      281613        s-trans-Propenoic acid
  447531.7543  0.0956 -5.7141 3 1066.5397179  72503 303891178      891079        s-trans-Propenoic acid
  447531.7543  0.0956 -5.7141 3 1066.5397179  72503 303891278      891179        s-trans-Propenoic acid
  447563.1208  0.0117 -3.9165 3  538.5905119  72503 303591347      581346        s-trans-Propenoic acid
  447571.1076  0.1302 -4.9683 3  591.2178 97  72503 303483315      483216        s-trans-Propenoic acid
  447571.1076  0.1302 -4.9683 3  591.2178 97  72503 303483316      483217        s-trans-Propenoic acid
  447597.5551  0.0129 -3.9529 3  541.6878115  72503 303571840      561839        s-trans-Propenoic acid
  447599.6223  0.1099 -4.6097 3  788.9123119  72503 303593623      583622        s-trans-Propenoic acid
  447599.6223  0.1099 -4.6097 3  788.9123119  72503 303593624      583623        s-trans-Propenoic acid
  447756.9470  0.0120 -3.9161 3  538.5749119  72503 303591247      581246        s-trans-Propenoic acid
  447794.4825  0.1301 -4.9679 3  579.0815 95  72503 303473314      473215        s-trans-Propenoic acid
  447794.4825  0.1301 -4.9679 3  579.0815 95  72503 303473315      473216        s-trans-Propenoic acid
  447840.5332  0.0856 -5.8327 3  626.3618147  72503 30373 172      73 073        s-trans-Propenoic acid
  447840.5332  0.0856 -5.8327 3  626.3618147  72503 30373 272      73 173        s-trans-Propenoic acid
  447844.5302  0.3270 -5.5654 3 1070.6120155  72503 303773443      773344        s-trans-Propenoic acid
  447844.5302  0.3270 -5.5654 3 1070.6120155  72503 303773444      773345        s-trans-Propenoic acid
  447880.4398  0.0799 -5.5194 3  704.1676153  72503 30376 373      76 274        s-trans-Propenoic acid
  447880.4398  0.0799 -5.9340 3  704.1676153  72503 30376 373      76 374        s-trans-Propenoic acid
  447880.4398  0.0799 -5.9340 3  704.1676153  72503 30376 473      76 274        s-trans-Propenoic acid
  447880.4398  0.0799 -5.5194 3  704.1676153  72503 30376 473      76 374        s-trans-Propenoic acid
  447917.1153  0.1030 -4.5613 3  772.6644119  72503 303593524      583523        s-trans-Propenoic acid
  447917.1153  0.1030 -4.5613 3  772.6644119  72503 303593525      583524        s-trans-Propenoic acid
  448005.3608  0.1300 -4.9697 3  567.2018 93  72503 303463313      463214        s-trans-Propenoic acid
  448005.3608  0.1300 -4.9697 3  567.2018 93  72503 303463314      463215        s-trans-Propenoic acid
  448016.5158  0.0246 -5.9318 3  358.2863 87  72503 303431826      431627        s-trans-Propenoic acid
  448031.8926  0.0125 -4.6359 3  538.5749119  72503 303591347      581246        s-trans-Propenoic acid
  448037.4645  0.0245 -5.9318 3  358.2856 87  72503 303431825      431628        s-trans-Propenoic acid
  448038.1297  0.0158 -4.6674 3  348.6006 91  72503 303451333      441232        s-trans-Propenoic acid
  448142.7013  0.0045 -4.3196 3  248.6544 71  72503 303351422      341321        s-trans-Propenoic acid
  448192.2261  0.0053 -5.1934 3  229.3457 71  72503 303351025      34 826        s-trans-Propenoic acid
  448197.7974  0.0045 -4.3195 3  248.6528 71  72503 303351421      341322        s-trans-Propenoic acid
  448204.2630  0.1301 -4.9742 3  555.5785 91  72503 303453312      453213        s-trans-Propenoic acid
  448204.2630  0.1301 -4.9742 3  555.5785 91  72503 303453313      453214        s-trans-Propenoic acid
  448258.6162  0.0962 -4.5147 3  756.8883119  72503 303593425      583424        s-trans-Propenoic acid
  448258.6162  0.0962 -4.5147 3  756.8883119  72503 303593426      583425        s-trans-Propenoic acid
  448260.6031  0.0838 -5.5486 3  921.6425169  72503 30384 876      84 777        s-trans-Propenoic acid
  448260.6031  0.0838 -5.5486 3  921.6425169  72503 30384 976      84 877        s-trans-Propenoic acid
  448289.2269  0.0083 -4.2032 3  227.8127 63  72503 303311616      301515        s-trans-Propenoic acid
  448289.2318  0.0083 -4.2032 3  227.8127 63  72503 303311615      301516        s-trans-Propenoic acid
  448310.4055  0.0088 -3.8991 3  522.2538115  72503 303571543      561542        s-trans-Propenoic acid
  448333.3509  0.0130 -3.9515 3  541.7210115  72503 303571839      561838        s-trans-Propenoic acid
  448371.4056  0.0085 -4.9821 3  217.1233 69  72503 30334 925      33 826        s-trans-Propenoic acid
  448386.1798  0.0277 -4.0673 3  590.4249117  72503 303582237      572236        s-trans-Propenoic acid
  448386.3957  0.0277 -4.0673 3  590.4249117  72503 303582236      572235        s-trans-Propenoic acid
  448391.6945  0.1303 -4.9817 3  544.2115 89  72503 303443311      443212        s-trans-Propenoic acid
  448391.6945  0.1303 -4.9817 3  544.2115 89  72503 303443312      443213        s-trans-Propenoic acid
  448568.1459  0.1305 -4.9926 3  533.1004 87  72503 303433310      433211        s-trans-Propenoic acid
  448568.1459  0.1305 -4.9926 3  533.1004 87  72503 303433311      433212        s-trans-Propenoic acid
  448627.4742  0.0897 -4.4698 3  741.5854119  72503 303593326      583325        s-trans-Propenoic acid
  448627.4742  0.0897 -4.4698 3  741.5854119  72503 303593327      583326        s-trans-Propenoic acid
  448656.5396  0.0073 -3.8434 3  490.9011111  72503 303551441      541440        s-trans-Propenoic acid
  448670.5310  0.0061 -4.2543 3  237.3840 67  72503 303331519      321418        s-trans-Propenoic acid
  448671.2567  0.0061 -4.2543 3  237.3839 67  72503 303331518      321419        s-trans-Propenoic acid
  448673.7313  0.3110 -5.5324 3 1050.9231153  72503 303763442      763343        s-trans-Propenoic acid
  448673.7313  0.3110 -5.5324 3 1050.9231153  72503 303763443      763344        s-trans-Propenoic acid
  448734.0937  0.1308 -5.0074 3  522.2451 85  72503 3034233 9      423210        s-trans-Propenoic acid
  448734.0937  0.1308 -5.0074 3  522.2451 85  72503 303423310      423211        s-trans-Propenoic acid
  448770.4891  0.0769 -5.8594 3  545.6429117  72503 303581642      581345        s-trans-Propenoic acid
  448793.8117  0.0105 -3.9068 3  530.7863117  72503 303581445      571444        s-trans-Propenoic acid
  448890.0005  0.1311 -5.0271 3  511.6452 83  72503 3034133 8      4132 9        s-trans-Propenoic acid
  448890.0005  0.1311 -5.0271 3  511.6452 83  72503 3034133 9      413210        s-trans-Propenoic acid
  448949.8517  0.0576 -5.9338 3  491.4651107  72503 303531935      531736        s-trans-Propenoic acid
  448982.6278  0.1062 -5.7928 3 1123.7685183  72503 303911279      911180        s-trans-Propenoic acid
  448982.6278  0.1062 -5.7928 3 1123.7685183  72503 303911379      911280        s-trans-Propenoic acid
  449001.0334  0.0264 -4.7271 3  486.4894111  72503 303551442      541341        s-trans-Propenoic acid
  449027.6430  0.0833 -4.4265 3  726.7577119  72503 303593227      583226        s-trans-Propenoic acid
  449027.6430  0.0833 -4.4265 3  726.7577119  72503 303593228      583227        s-trans-Propenoic acid
  449036.3156  0.1315 -5.0524 3  501.3007 81  72503 3034033 7      4032 8        s-trans-Propenoic acid
  449036.3156  0.1315 -5.0524 3  501.3007 81  72503 3034033 8      4032 9        s-trans-Propenoic acid
  449080.7284  0.0075 -5.4417 3  196.3739 65  72503 30332 824      31 625        s-trans-Propenoic acid
  449173.4750  0.1319 -5.0850 3  491.2112 79  72503 3033933 6      3932 7        s-trans-Propenoic acid
  449173.4750  0.1319 -5.0850 3  491.2112 79  72503 3033933 7      3932 8        s-trans-Propenoic acid
  449187.2294  0.0216 -4.8433 3  552.3873119  72503 303591445      581544        s-trans-Propenoic acid
  449212.1451  0.0233 -4.7190 3  501.0377113  72503 303561443      551342        s-trans-Propenoic acid
  449301.9023  0.1324 -5.1268 3  481.3766 77  72503 3033833 5      3832 6        s-trans-Propenoic acid
  449301.9023  0.1324 -5.1268 3  481.3766 77  72503 3033833 6      3832 7        s-trans-Propenoic acid
  449422.0083  0.1329 -5.1812 3  471.7967 75  72503 3033733 4      3732 5        s-trans-Propenoic acid
  449422.0083  0.1329 -5.1812 3  471.7967 75  72503 3033733 5      3732 6        s-trans-Propenoic acid
  449463.8264  0.0770 -4.3848 3  712.4073119  72503 303593128      583127        s-trans-Propenoic acid
  449463.8264  0.0770 -4.3848 3  712.4073119  72503 303593129      583128        s-trans-Propenoic acid
  449468.3868  0.2958 -5.5001 3 1031.5000151  72503 303753441      753342        s-trans-Propenoic acid
  449468.3868  0.2958 -5.5001 3 1031.5000151  72503 303753442      753343        s-trans-Propenoic acid
  449534.1917  0.1334 -5.2537 3  462.4713 73  72503 3033633 3      3632 4        s-trans-Propenoic acid
  449534.1917  0.1334 -5.2537 3  462.4713 73  72503 3033633 4      3632 5        s-trans-Propenoic acid
  449638.8395  0.1339 -5.3544 3  453.4001 71  72503 3033533 2      3532 3        s-trans-Propenoic acid
  449638.8395  0.1339 -5.3544 3  453.4001 71  72503 3033533 3      3532 4        s-trans-Propenoic acid
  449736.3267  0.1344 -5.5066 3  444.5831 69  72503 3033433 1      3432 2        s-trans-Propenoic acid
  449736.3267  0.1344 -5.5066 3  444.5831 69  72503 3033433 2      3432 3        s-trans-Propenoic acid
  449827.0167  0.1349 -5.7840 3  436.0199 67  72503 3033333 0      3332 1        s-trans-Propenoic acid
  449827.0167  0.1349 -5.7840 3  436.0199 67  72503 3033333 1      3332 2        s-trans-Propenoic acid
  449828.3806  0.0237 -4.0387 3  581.0851117  72503 303582138      572137        s-trans-Propenoic acid
  449830.7853  0.0237 -4.0387 3  581.0852117  72503 303582137      572136        s-trans-Propenoic acid
  449851.0780  0.0964 -5.1492 3  628.9064127  72503 303631647      621746        s-trans-Propenoic acid
  449866.5122  0.0826 -5.4906 3  835.6618163  72503 30381 675      81 576        s-trans-Propenoic acid
  449866.5122  0.0826 -5.9253 3  835.6618163  72503 30381 675      81 676        s-trans-Propenoic acid
  449866.5122  0.0826 -5.9253 3  835.6618163  72503 30381 775      81 576        s-trans-Propenoic acid
  449866.5122  0.0826 -5.4906 3  835.6618163  72503 30381 775      81 676        s-trans-Propenoic acid
  449906.0432  0.0043 -4.4326 3  271.5122 77  72503 303381326      371225        s-trans-Propenoic acid
  449941.6696  0.0710 -4.3446 3  698.5367119  72503 303593029      583028        s-trans-Propenoic acid
  449941.6696  0.0710 -4.3446 3  698.5367119  72503 303593030      583029        s-trans-Propenoic acid
  449958.3474  0.0109 -3.9288 3  534.7298115  72503 303571741      561740        s-trans-Propenoic acid
  450029.8421  0.0051 -5.2652 3  173.3322 59  72503 30329 921      28 622        s-trans-Propenoic acid
  450227.6462  0.0084 -4.8484 3  239.0762 73  72503 303361026      35 927        s-trans-Propenoic acid
  450228.5381  0.1206 -5.8775 3 1182.2901187  72503 303931380      931281        s-trans-Propenoic acid
  450228.5381  0.1206 -5.8775 3 1182.2901187  72503 303931480      931381        s-trans-Propenoic acid
  450229.8069  0.2815 -5.4686 3 1012.3424149  72503 303743440      743341        s-trans-Propenoic acid
  450229.8069  0.2815 -5.4686 3 1012.3424149  72503 303743441      743342        s-trans-Propenoic acid
  450297.5735  0.0240 -5.9436 3  347.1725 85  72503 303421825      421626        s-trans-Propenoic acid
  450302.5116  0.0889 -5.6062 3  975.5791173  72503 30386 977      86 878        s-trans-Propenoic acid
  450302.5116  0.0889 -5.6062 3  975.5791173  72503 303861077      86 978        s-trans-Propenoic acid
  450303.1867  0.0564 -5.9315 3  491.4206107  72503 303531934      531737        s-trans-Propenoic acid
  450307.6690  0.0240 -5.9436 3  347.1722 85  72503 303421824      421627        s-trans-Propenoic acid
  450332.8610  0.0284 -4.0346 3  208.7434 45  72503 3032221 1      2120 2        s-trans-Propenoic acid
  450332.8610  0.0284 -4.0346 3  208.7434 45  72503 3032221 2      2120 1        s-trans-Propenoic acid
  450468.0158  0.0652 -4.3059 3  685.1489119  72503 303592930      582929        s-trans-Propenoic acid
  450468.0158  0.0652 -4.3059 3  685.1489119  72503 303592931      582930        s-trans-Propenoic acid
  450484.7034  0.0125 -3.8495 3  494.7400111  72503 303551540      541539        s-trans-Propenoic acid
  450714.6202  0.0294 -4.7349 3  472.0911109  72503 303541441      531340        s-trans-Propenoic acid
  450771.6579  0.0827 -5.4909 3  752.7125157  72503 30378 474      78 375        s-trans-Propenoic acid
  450771.6579  0.0827 -5.9119 3  752.7125157  72503 30378 474      78 475        s-trans-Propenoic acid
  450771.6579  0.0827 -5.9119 3  752.7125157  72503 30378 574      78 375        s-trans-Propenoic acid
  450771.6579  0.0827 -5.4909 3  752.7125157  72503 30378 574      78 475        s-trans-Propenoic acid
  450781.3193  0.0094 -3.9097 3  528.3471115  72503 303571642      561641        s-trans-Propenoic acid
  450800.4748  0.0125 -3.9024 3  530.6058117  72503 303581345      571344        s-trans-Propenoic acid
  450835.1155  0.3635 -5.7365 3  855.2615149  72503 303742054      732153        s-trans-Propenoic acid
  450959.2412  0.2681 -5.4380 3  993.4498147  72503 303733439      733340        s-trans-Propenoic acid
  450959.2412  0.2681 -5.4380 3  993.4498147  72503 303733440      733341        s-trans-Propenoic acid
  451009.0108  0.0240 -3.9289 3  594.5135141  72503 30370 268      69 267        s-trans-Propenoic acid
  451009.0108  0.0240 -4.3407 3  594.5135141  72503 30370 268      69 367        s-trans-Propenoic acid
  451009.0108  0.0240 -4.3407 3  594.5135141  72503 30370 368      69 267        s-trans-Propenoic acid
  451009.0108  0.0240 -3.9289 3  594.5135141  72503 30370 368      69 367        s-trans-Propenoic acid
  451010.9504  0.0211 -3.9344 3  592.9607139  72503 30369 366      68 365        s-trans-Propenoic acid
  451010.9504  0.0211 -4.3618 3  592.9607139  72503 30369 366      68 465        s-trans-Propenoic acid
  451010.9504  0.0211 -4.3618 3  592.9607139  72503 30369 466      68 365        s-trans-Propenoic acid
  451010.9504  0.0211 -3.9344 3  592.9607139  72503 30369 466      68 465        s-trans-Propenoic acid
  451012.0246  0.0284 -3.9224 3  595.5468143  72503 30371 170      70 169        s-trans-Propenoic acid
  451012.0246  0.0284 -4.3199 3  595.5468143  72503 30371 170      70 269        s-trans-Propenoic acid
  451012.0246  0.0284 -4.3199 3  595.5468143  72503 30371 270      70 169        s-trans-Propenoic acid
  451012.0246  0.0284 -3.9224 3  595.5468143  72503 30371 270      70 269        s-trans-Propenoic acid
  451016.2782  0.0350 -3.9149 3  596.0662145  72503 30372 072      71 071        s-trans-Propenoic acid
  451016.2782  0.0350 -4.2993 3  596.0662145  72503 30372 072      71 171        s-trans-Propenoic acid
  451016.2782  0.0350 -4.2993 3  596.0662145  72503 30372 172      71 071        s-trans-Propenoic acid
  451016.2782  0.0350 -3.9149 3  596.0662145  72503 30372 172      71 171        s-trans-Propenoic acid
  451022.8661  0.0194 -3.9389 3  590.8812137  72503 30368 464      67 463        s-trans-Propenoic acid
  451022.8661  0.0194 -4.3835 3  590.8812137  72503 30368 464      67 563        s-trans-Propenoic acid
  451022.8661  0.0194 -4.3835 3  590.8812137  72503 30368 564      67 463        s-trans-Propenoic acid
  451022.8661  0.0194 -3.9389 3  590.8812137  72503 30368 564      67 563        s-trans-Propenoic acid
  451034.3856  0.0859 -5.6234 3  672.8371151  72503 30375 273      75 174        s-trans-Propenoic acid
  451034.3856  0.0859 -5.6234 3  672.8371151  72503 30375 373      75 274        s-trans-Propenoic acid
  451051.2565  0.0595 -4.2687 3  672.2474119  72503 303592831      582830        s-trans-Propenoic acid
  451051.2565  0.0595 -4.2687 3  672.2474119  72503 303592832      582831        s-trans-Propenoic acid
  451051.6561  0.0183 -3.9423 3  588.2665135  72503 30367 562      66 561        s-trans-Propenoic acid
  451051.6561  0.0183 -4.4059 3  588.2665135  72503 30367 562      66 661        s-trans-Propenoic acid
  451051.6561  0.0183 -4.4059 3  588.2665135  72503 30367 662      66 561        s-trans-Propenoic acid
  451051.6561  0.0183 -3.9423 3  588.2665135  72503 30367 662      66 661        s-trans-Propenoic acid
  451065.8915  0.0207 -4.7118 3  515.7404115  72503 303571444      561343        s-trans-Propenoic acid
  451106.9722  0.0176 -3.9447 3  585.1058133  72503 30366 660      65 659        s-trans-Propenoic acid
  451106.9722  0.0176 -4.4294 3  585.1058133  72503 30366 660      65 759        s-trans-Propenoic acid
  451106.9722  0.0176 -4.4294 3  585.1058133  72503 30366 760      65 659        s-trans-Propenoic acid
  451106.9722  0.0176 -3.9447 3  585.1058133  72503 30366 760      65 759        s-trans-Propenoic acid
  451202.6369  0.0169 -3.9458 3  581.3857131  72503 30365 758      64 757        s-trans-Propenoic acid
  451202.6369  0.0169 -4.4544 3  581.3857131  72503 30365 758      64 857        s-trans-Propenoic acid
  451202.6369  0.0169 -4.4544 3  581.3857131  72503 30365 858      64 757        s-trans-Propenoic acid
  451202.6369  0.0169 -3.9458 3  581.3857131  72503 30365 858      64 857        s-trans-Propenoic acid
  451359.0453  0.0163 -4.4815 3  577.0889129  72503 30364 856      63 955        s-trans-Propenoic acid
  451359.0457  0.0163 -3.9457 3  577.0889129  72503 30364 956      63 955        s-trans-Propenoic acid
  451359.0461  0.0163 -3.9457 3  577.0889129  72503 30364 856      63 855        s-trans-Propenoic acid
  451359.0464  0.0163 -4.4815 3  577.0889129  72503 30364 956      63 855        s-trans-Propenoic acid
  451561.8801  0.2845 -5.9197 3 1175.7993121  72503 3036054 6      5954 5        s-trans-Propenoic acid
  451561.8801  0.2845 -5.9197 3 1175.7993121  72503 3036054 7      5954 6        s-trans-Propenoic acid
  451572.4390  0.0231 -4.0620 3  211.0918 49  72503 3032420 4      2319 5        s-trans-Propenoic acid
  451572.4390  0.0231 -4.0620 3  211.0918 49  72503 3032420 5      2319 4        s-trans-Propenoic acid
  451582.5744  0.0198 -4.0110 3  572.3148117  72503 303582039      572038        s-trans-Propenoic acid
  451605.6315  0.0198 -4.0110 3  572.3156117  72503 303582038      572037        s-trans-Propenoic acid
  451607.4784  0.0155 -4.5115 3  572.1924127  72503 30363 954      621053        s-trans-Propenoic acid
  451607.4920  0.0155 -3.9441 3  572.1924127  72503 303631054      621053        s-trans-Propenoic acid
  451607.5048  0.0155 -3.9441 3  572.1924127  72503 30363 954      62 953        s-trans-Propenoic acid
  451607.5184  0.0155 -4.5115 3  572.1924127  72503 303631054      62 953        s-trans-Propenoic acid
  451657.8830  0.2556 -5.4081 3  974.8216145  72503 303723438      723339        s-trans-Propenoic acid
  451657.8830  0.2556 -5.4081 3  974.8216145  72503 303723439      723340        s-trans-Propenoic acid
  451701.8209  0.0540 -4.2328 3  659.8366119  72503 303592732      582731        s-trans-Propenoic acid
  451701.8209  0.0540 -4.2328 3  659.8366119  72503 303592733      582732        s-trans-Propenoic acid
  451713.4523  0.2734 -5.8050 3 1151.2056121  72503 3036053 7      5953 6        s-trans-Propenoic acid
  451713.4523  0.2734 -5.8050 3 1151.2056121  72503 3036053 8      5953 7        s-trans-Propenoic acid
  451746.2446  0.0041 -5.7441 3  147.0386 49  72503 303241113      23 914        s-trans-Propenoic acid
  451868.5335  0.2626 -5.7003 3 1127.0720121  72503 3036052 8      5952 7        s-trans-Propenoic acid
  451868.5335  0.2626 -5.7003 3 1127.0720121  72503 3036052 9      5952 8        s-trans-Propenoic acid
  451998.1169  0.0147 -4.5456 3  566.6652125  72503 303621052      611151        s-trans-Propenoic acid
  451998.5108  0.0147 -3.9410 3  566.6652125  72503 303621152      611151        s-trans-Propenoic acid
  451998.8558  0.0147 -3.9410 3  566.6652125  72503 303621052      611051        s-trans-Propenoic acid
  451999.2497  0.0147 -4.5456 3  566.6652125  72503 303621152      611051        s-trans-Propenoic acid
  452005.9125  0.0041 -5.7438 3  147.0298 49  72503 303241114      23 915        s-trans-Propenoic acid
  452027.5089  0.2520 -5.6035 3 1103.3986121  72503 3036051 9      5951 8        s-trans-Propenoic acid
  452027.5089  0.2520 -5.6035 3 1103.3986121  72503 303605110      5951 9        s-trans-Propenoic acid
  452162.1014  0.0952 -5.6722 3 1030.8257177  72503 303881078      88 979        s-trans-Propenoic acid
  452162.1014  0.0952 -5.6722 3 1030.8257177  72503 303881178      881079        s-trans-Propenoic acid
  452190.8037  0.2416 -5.5130 3 1080.1858121  72503 303605010      5950 9        s-trans-Propenoic acid
  452190.8037  0.2416 -5.5130 3 1080.1858121  72503 303605011      595010        s-trans-Propenoic acid
  452268.3501  0.0868 -5.5277 3  887.5820167  72503 30383 776      83 677        s-trans-Propenoic acid
  452268.3501  0.0868 -5.5277 3  887.5820167  72503 30383 876      83 777        s-trans-Propenoic acid
  452326.8734  0.2439 -5.3792 3  956.4576143  72503 303713437      713338        s-trans-Propenoic acid
  452326.8734  0.2439 -5.3792 3  956.4576143  72503 303713438      713339        s-trans-Propenoic acid
  452358.8877  0.2313 -5.4279 3 1057.4341121  72503 303604911      594910        s-trans-Propenoic acid
  452358.8877  0.2313 -5.4279 3 1057.4341121  72503 303604912      594911        s-trans-Propenoic acid
  452432.8781  0.0487 -4.1983 3  647.9217119  72503 303592633      582632        s-trans-Propenoic acid
  452432.8781  0.0487 -4.1983 3  647.9217119  72503 303592634      582633        s-trans-Propenoic acid
  452502.0210  0.0154 -3.8842 3  514.2563113  72503 303561640      551639        s-trans-Propenoic acid
  452532.2814  0.2213 -5.3473 3 1035.1438121  72503 303604812      594811        s-trans-Propenoic acid
  452532.2814  0.2213 -5.3473 3 1035.1438121  72503 303604813      594812        s-trans-Propenoic acid
  452608.7518  0.0139 -4.5860 3  560.4628123  72503 303611150      601249        s-trans-Propenoic acid
  452617.7574  0.0139 -3.9360 3  560.4628123  72503 303611250      601249        s-trans-Propenoic acid
  452625.0061  0.0139 -3.9360 3  560.4622123  72503 303611150      601149        s-trans-Propenoic acid
  452634.0117  0.0139 -4.5860 3  560.4622123  72503 303611250      601149        s-trans-Propenoic acid
  452711.5629  0.2115 -5.2708 3 1013.3154121  72503 303604713      594712        s-trans-Propenoic acid
  452711.5629  0.2115 -5.2708 3 1013.3154121  72503 303604714      594713        s-trans-Propenoic acid
  452775.6932  0.0091 -4.7132 3  545.7564119  72503 303591346      581445        s-trans-Propenoic acid
  452781.1589  0.0185 -4.0916 3  214.9442 53  72503 3032619 7      2518 8        s-trans-Propenoic acid
  452781.1589  0.0185 -4.0916 3  214.9442 53  72503 3032619 8      2518 7        s-trans-Propenoic acid
  452897.3758  0.2019 -5.1978 3  991.9492121  72503 303604614      594613        s-trans-Propenoic acid
  452897.3758  0.2019 -5.1978 3  991.9492121  72503 303604615      594614        s-trans-Propenoic acid
  452967.3047  0.2330 -5.3510 3  938.3573141  72503 303703436      703337        s-trans-Propenoic acid
  452967.3047  0.2330 -5.3510 3  938.3573141  72503 303703437      703338        s-trans-Propenoic acid
  453090.4384  0.1925 -5.1281 3  971.0458121  72503 303604515      594514        s-trans-Propenoic acid
  453090.4384  0.1925 -5.1281 3  971.0458121  72503 303604516      594515        s-trans-Propenoic acid
  453168.2001  0.0057 -5.9280 3  133.0767 53  72503 30326 323      25 224        s-trans-Propenoic acid
  453190.1049  0.0057 -5.9280 3  133.0767 53  72503 30326 423      25 124        s-trans-Propenoic acid
  453261.3783  0.0436 -4.1652 3  636.5093119  72503 303592535      582534        s-trans-Propenoic acid
  453261.3785  0.0436 -4.1652 3  636.5093119  72503 303592534      582533        s-trans-Propenoic acid
  453291.5549  0.1833 -5.0613 3  950.6056121  72503 303604416      594415        s-trans-Propenoic acid
  453291.5549  0.1833 -5.0613 3  950.6056121  72503 303604417      594416        s-trans-Propenoic acid
  453434.8043  0.0127 -4.6371 3  553.5196121  72503 303601248      591347        s-trans-Propenoic acid
  453501.6276  0.1743 -4.9971 3  930.6293121  72503 303604317      594316        s-trans-Propenoic acid
  453501.6276  0.1743 -4.9971 3  930.6293121  72503 303604318      594317        s-trans-Propenoic acid
  453506.3293  0.0862 -5.4934 3  802.5945161  72503 30380 575      80 476        s-trans-Propenoic acid
  453506.3293  0.0862 -5.9210 3  802.5945161  72503 30380 575      80 576        s-trans-Propenoic acid
  453506.3293  0.0862 -5.9210 3  802.5945161  72503 30380 675      80 476        s-trans-Propenoic acid
  453506.3293  0.0862 -5.4934 3  802.5945161  72503 30380 675      80 576        s-trans-Propenoic acid
  453560.5454  0.0134 -4.6332 3  336.5862 89  72503 303441332      431231        s-trans-Propenoic acid
  453580.2234  0.2229 -5.3237 3  920.5203139  72503 303693435      693336        s-trans-Propenoic acid
  453580.2234  0.2229 -5.3237 3  920.5203139  72503 303693436      693337        s-trans-Propenoic acid
  453594.4594  0.0130 -3.9286 3  553.5196121  72503 303601348      591347        s-trans-Propenoic acid
  453600.3263  0.0521 -5.9273 3  477.5839105  72503 303521934      521735        s-trans-Propenoic acid
  453709.7499  0.0132 -3.9284 3  553.5104121  72503 303601248      591247        s-trans-Propenoic acid
  453716.7642  0.0039 -4.4269 3  271.4091 77  72503 303381325      371226        s-trans-Propenoic acid
  453721.6728  0.1655 -4.9355 3  911.1175121  72503 303604218      594217        s-trans-Propenoic acid
  453721.6728  0.1655 -4.9355 3  911.1175121  72503 303604219      594218        s-trans-Propenoic acid
  453725.2452  0.4535 -5.8726 3  922.7554155  72503 303772156      762255        s-trans-Propenoic acid
  453739.5306  0.0164 -3.9842 3  564.1463117  72503 303581940      571939        s-trans-Propenoic acid
  453833.7771  0.1033 -5.7456 3 1087.3770181  72503 303901179      901080        s-trans-Propenoic acid
  453833.7771  0.1033 -5.7456 3 1087.3770181  72503 303901279      901180        s-trans-Propenoic acid
  453861.4867  0.0136 -3.9216 3  534.9448115  72503 303571740      561739        s-trans-Propenoic acid
  453869.4050  0.0136 -4.6363 3  553.5104121  72503 303601348      591247        s-trans-Propenoic acid
  453920.3880  0.0144 -4.1245 3  220.3168 57  72503 303281810      271711        s-trans-Propenoic acid
  453920.3880  0.0144 -4.1245 3  220.3168 57  72503 303281811      271710        s-trans-Propenoic acid
  453925.7269  0.0164 -3.9839 3  564.1539117  72503 303581939      571938        s-trans-Propenoic acid
  453952.8386  0.1569 -4.8762 3  892.0707121  72503 303604119      594118        s-trans-Propenoic acid
  453952.8386  0.1569 -4.8762 3  892.0707121  72503 303604120      594119        s-trans-Propenoic acid
  454040.1244  0.0937 -5.8532 3  641.8200149  72503 30374 173      74 074        s-trans-Propenoic acid
  454040.1244  0.0937 -5.8532 3  641.8200149  72503 30374 273      74 174        s-trans-Propenoic acid
  454075.7973  0.0093 -3.8575 3  505.8667113  72503 303561442      551441        s-trans-Propenoic acid
  454079.4519  0.0877 -5.5421 3  720.6600155  72503 30377 374      77 275        s-trans-Propenoic acid
  454079.4519  0.0877 -5.5421 3  720.6600155  72503 30377 474      77 375        s-trans-Propenoic acid
  454166.6337  0.2136 -5.2973 3  902.9462137  72503 303683434      683335        s-trans-Propenoic acid
  454166.6337  0.2136 -5.2973 3  902.9462137  72503 303683435      683336        s-trans-Propenoic acid
  454178.1174  0.0908 -5.8628 3  599.0381123  72503 303611744      611447        s-trans-Propenoic acid
  454196.4268  0.1485 -4.8191 3  873.4899121  72503 303604020      594019        s-trans-Propenoic acid
  454196.4268  0.1485 -4.8191 3  873.4899121  72503 303604021      594020        s-trans-Propenoic acid
  454204.7487  0.0188 -4.7061 3  530.6058117  72503 303581445      571344        s-trans-Propenoic acid
  454209.6560  0.0386 -4.1333 3  625.6075119  72503 303592436      582435        s-trans-Propenoic acid
  454209.6587  0.0386 -4.1333 3  625.6075119  72503 303592435      582434        s-trans-Propenoic acid
  454212.2284  0.0075 -5.3160 3  216.9285 69  72503 30334 925      33 726        s-trans-Propenoic acid
  454242.1392  0.0503 -4.9785 3  590.0043123  72503 303611546      601645        s-trans-Propenoic acid
  454318.0553  0.0048 -5.4740 3  181.0198 61  72503 30330 922      29 723        s-trans-Propenoic acid
  454364.0468  0.0515 -5.9260 3  477.5587105  72503 303521933      521736        s-trans-Propenoic acid
  454411.7112  0.0048 -4.4557 3  281.5269 79  72503 303391327      381226        s-trans-Propenoic acid
  454441.4261  0.0317 -4.7406 3  457.8460107  72503 303531440      521339        s-trans-Propenoic acid
  454453.9187  0.1403 -4.7640 3  855.3757121  72503 303603921      593920        s-trans-Propenoic acid
  454453.9187  0.1403 -4.7640 3  855.3757121  72503 303603922      593921        s-trans-Propenoic acid
  454500.2557  0.0915 -5.5768 3  940.8234171  72503 30385 877      85 778        s-trans-Propenoic acid
  454500.2557  0.0915 -5.5768 3  940.8234171  72503 30385 977      85 878        s-trans-Propenoic acid
  454513.5654  0.5340 -5.9067 3 1274.4895173  72503 303863551      863452        s-trans-Propenoic acid
  454513.5655  0.5340 -5.9067 3 1274.4895173  72503 303863552      863453        s-trans-Propenoic acid
  454580.0406  0.0056 -5.3137 3  165.6669 59  72503 30329 623      28 524        s-trans-Propenoic acid
  454679.8543  0.0056 -5.6861 3  165.6635 59  72503 30329 623      28 424        s-trans-Propenoic acid
  454727.0072  0.1323 -4.7110 3  837.7290121  72503 303603822      593821        s-trans-Propenoic acid
  454727.0072  0.1323 -4.7110 3  837.7290121  72503 303603823      593822        s-trans-Propenoic acid
  454727.4998  0.2050 -5.2718 3  885.6346135  72503 303673433      673334        s-trans-Propenoic acid
  454727.4998  0.2050 -5.2718 3  885.6346135  72503 303673434      673335        s-trans-Propenoic acid
  454882.4202  0.0118 -3.9188 3  545.7564119  72503 303591446      581445        s-trans-Propenoic acid
  454920.8659  0.0110 -4.1621 3  227.2328 61  72503 303301713      291614        s-trans-Propenoic acid
  454920.8659  0.0110 -4.1621 3  227.2328 61  72503 303301714      291613        s-trans-Propenoic acid
  454928.8819  0.0047 -5.4876 3  177.1601 59  72503 303291020      28 821        s-trans-Propenoic acid
  455017.6357  0.1245 -4.6598 3  820.5510121  72503 303603723      593722        s-trans-Propenoic acid
  455017.6357  0.1245 -4.6598 3  820.5510121  72503 303603724      593723        s-trans-Propenoic acid
  455022.4609  0.0046 -4.3291 3  257.7067 73  72503 303361423      351322        s-trans-Propenoic acid
  455067.2222  0.0099 -3.9095 3  537.2079117  72503 303581544      571543        s-trans-Propenoic acid
  455137.1064  0.0046 -4.3289 3  257.7034 73  72503 303361422      351323        s-trans-Propenoic acid
  455263.7484  0.1972 -5.2471 3  868.5852133  72503 303663432      663333        s-trans-Propenoic acid
  455263.7484  0.1972 -5.2471 3  868.5852133  72503 303663433      663334        s-trans-Propenoic acid
  455308.0120  0.0339 -4.1026 3  615.2269119  72503 303592337      582336        s-trans-Propenoic acid
  455308.0484  0.0339 -4.1026 3  615.2269119  72503 303592336      582335        s-trans-Propenoic acid
  455308.7496  0.0046 -4.5662 3  276.6742 79  72503 303391227      381128        s-trans-Propenoic acid
  455311.3661  0.1142 -5.8255 3 1145.2273185  72503 303921280      921181        s-trans-Propenoic acid
  455311.3661  0.1142 -5.8255 3 1145.2273185  72503 303921380      921281        s-trans-Propenoic acid
  455328.0455  0.1169 -4.6104 3  803.8426121  72503 303603624      593623        s-trans-Propenoic acid
  455328.0455  0.1169 -4.6104 3  803.8426121  72503 303603625      593624        s-trans-Propenoic acid
  455607.4571  0.5081 -5.8670 3 1252.4248171  72503 303853550      853451        s-trans-Propenoic acid
  455607.4571  0.5081 -5.8670 3 1252.4248171  72503 303853551      853452        s-trans-Propenoic acid
  455656.1218  0.0082 -4.2062 3  235.7270 65  72503 303321617      311516        s-trans-Propenoic acid
  455656.1356  0.0082 -4.2062 3  235.7270 65  72503 303321616      311517        s-trans-Propenoic acid
  455660.8354  0.1095 -4.5628 3  787.6054121  72503 303603525      593524        s-trans-Propenoic acid
  455660.8354  0.1095 -4.5628 3  787.6054121  72503 303603526      593525        s-trans-Propenoic acid
  455776.2713  0.1900 -5.2234 3  851.7976131  72503 303653431      653332        s-trans-Propenoic acid
  455776.2713  0.1900 -5.2234 3  851.7976131  72503 303653432      653333        s-trans-Propenoic acid
  455882.1358  0.0060 -4.2598 3  245.8540 69  72503 303341520      331419        s-trans-Propenoic acid
  455883.8806  0.0060 -4.2598 3  245.8539 69  72503 303341519      331420        s-trans-Propenoic acid
  455971.2897  0.1436 -5.8640 3  678.6011131  72503 303651946      651649        s-trans-Propenoic acid
  456019.0364  0.1023 -4.5169 3  771.8406121  72503 303603426      593425        s-trans-Propenoic acid
  456019.0364  0.1023 -4.5169 3  771.8406121  72503 303603427      593426        s-trans-Propenoic acid
  456081.1567  0.0903 -5.5166 3  853.8084165  72503 30382 676      82 577        s-trans-Propenoic acid
  456081.1567  0.0903 -5.5166 3  853.8084165  72503 30382 776      82 677        s-trans-Propenoic acid
  456179.9672  0.0134 -3.9160 3  545.6429119  72503 303591346      581345        s-trans-Propenoic acid
  456239.4442  0.0074 -4.7164 3  262.3221 77  72503 303381127      371028        s-trans-Propenoic acid
  456251.7055  0.0136 -3.9584 3  556.6181117  72503 303581841      571840        s-trans-Propenoic acid
  456265.9272  0.1835 -5.2006 3  835.2714129  72503 303643430      643331        s-trans-Propenoic acid
  456265.9272  0.1835 -5.2006 3  835.2714129  72503 303643431      643332        s-trans-Propenoic acid
  456406.2060  0.0953 -4.4725 3  756.5500121  72503 303603327      593326        s-trans-Propenoic acid
  456406.2060  0.0953 -4.4725 3  756.5500121  72503 303603328      593327        s-trans-Propenoic acid
  456557.7790  0.0968 -5.6357 3  995.3805175  72503 30387 978      87 879        s-trans-Propenoic acid
  456557.7790  0.0968 -5.6357 3  995.3805175  72503 303871078      87 979        s-trans-Propenoic acid
  456588.0415  0.1287 -5.9115 3 1204.3708189  72503 303941381      941282        s-trans-Propenoic acid
  456588.0415  0.1287 -5.9115 3 1204.3708189  72503 303941481      941382        s-trans-Propenoic acid
  456599.0325  0.0293 -4.0731 3  605.3815119  72503 303592238      582237        s-trans-Propenoic acid
  456599.4750  0.0293 -4.0731 3  605.3815119  72503 303592237      582236        s-trans-Propenoic acid
  456657.7132  0.4834 -5.8280 3 1230.6293169  72503 303843549      843450        s-trans-Propenoic acid
  456657.7132  0.4834 -5.8280 3 1230.6293169  72503 303843550      843451        s-trans-Propenoic acid
  456701.5734  0.0052 -5.6499 3  143.6635 55  72503 30327 423      26 324        s-trans-Propenoic acid
  456733.5434  0.1777 -5.1788 3  819.0063127  72503 303633429      633330        s-trans-Propenoic acid
  456733.5434  0.1777 -5.1788 3  819.0063127  72503 303633430      633331        s-trans-Propenoic acid
  456826.5500  0.0884 -4.4298 3  741.7357121  72503 303603228      593227        s-trans-Propenoic acid
  456826.5500  0.0884 -4.4298 3  741.7357121  72503 303603229      593228        s-trans-Propenoic acid
  456887.0515  0.0052 -5.6497 3  143.6635 55  72503 30327 523      26 224        s-trans-Propenoic acid
  456973.0239  0.0906 -5.5149 3  769.8252159  72503 30379 475      79 376        s-trans-Propenoic acid
  456973.0239  0.0906 -5.5149 3  769.8252159  72503 30379 575      79 476        s-trans-Propenoic acid
  457179.9182  0.1725 -5.1580 3  803.0019125  72503 303623428      623329        s-trans-Propenoic acid
  457179.9182  0.1725 -5.1580 3  803.0019125  72503 303623429      623330        s-trans-Propenoic acid
  457214.0340  0.0261 -3.9423 3  609.5576143  72503 30371 269      70 268        s-trans-Propenoic acid
  457214.0340  0.0261 -4.3536 3  609.5576143  72503 30371 269      70 368        s-trans-Propenoic acid
  457214.0340  0.0261 -4.3536 3  609.5576143  72503 30371 369      70 268        s-trans-Propenoic acid
  457214.0340  0.0261 -3.9423 3  609.5576143  72503 30371 369      70 368        s-trans-Propenoic acid
  457215.5003  0.0230 -3.9477 3  608.0048141  72503 30370 367      69 366        s-trans-Propenoic acid
  457215.5003  0.0230 -4.3744 3  608.0048141  72503 30370 367      69 466        s-trans-Propenoic acid
  457215.5003  0.0230 -4.3744 3  608.0048141  72503 30370 467      69 366        s-trans-Propenoic acid
  457215.5003  0.0230 -3.9477 3  608.0048141  72503 30370 467      69 466        s-trans-Propenoic acid
  457217.2419  0.0310 -3.9359 3  610.5909145  72503 30372 171      71 170        s-trans-Propenoic acid
  457217.2419  0.0310 -4.3332 3  610.5909145  72503 30372 171      71 270        s-trans-Propenoic acid
  457217.2419  0.0310 -4.3332 3  610.5909145  72503 30372 271      71 170        s-trans-Propenoic acid
  457217.2419  0.0310 -3.9359 3  610.5909145  72503 30372 271      71 270        s-trans-Propenoic acid
  457221.5357  0.0380 -3.9286 3  611.1105147  72503 30373 073      72 072        s-trans-Propenoic acid
  457221.5357  0.0380 -4.3128 3  611.1105147  72503 30373 073      72 172        s-trans-Propenoic acid
  457221.5357  0.0380 -4.3128 3  611.1105147  72503 30373 173      72 072        s-trans-Propenoic acid
  457221.5357  0.0380 -3.9286 3  611.1105147  72503 30373 173      72 172        s-trans-Propenoic acid
  457226.4697  0.0211 -3.9521 3  605.9257139  72503 30369 465      68 464        s-trans-Propenoic acid
  457226.4697  0.0211 -4.3956 3  605.9257139  72503 30369 465      68 564        s-trans-Propenoic acid
  457226.4697  0.0211 -4.3956 3  605.9257139  72503 30369 565      68 464        s-trans-Propenoic acid
  457226.4697  0.0211 -3.9521 3  605.9257139  72503 30369 565      68 564        s-trans-Propenoic acid
  457232.2248  0.0941 -5.6452 3  688.9160153  72503 30376 274      76 175        s-trans-Propenoic acid
  457232.2248  0.0941 -5.6452 3  688.9160153  72503 30376 374      76 275        s-trans-Propenoic acid
  457253.5373  0.0199 -3.9554 3  603.3120137  72503 30368 563      67 562        s-trans-Propenoic acid
  457253.5373  0.0199 -4.4175 3  603.3120137  72503 30368 563      67 662        s-trans-Propenoic acid
  457253.5373  0.0199 -4.4175 3  603.3120137  72503 30368 663      67 562        s-trans-Propenoic acid
  457253.5373  0.0199 -3.9554 3  603.3120137  72503 30368 663      67 662        s-trans-Propenoic acid
  457285.0799  0.0818 -4.3886 3  727.3998121  72503 303603129      593128        s-trans-Propenoic acid
  457285.0799  0.0818 -4.3886 3  727.3998121  72503 303603130      593129        s-trans-Propenoic acid
  457305.8732  0.0191 -3.9576 3  600.1531135  72503 30367 661      66 660        s-trans-Propenoic acid
  457305.8732  0.0191 -4.4404 3  600.1531135  72503 30367 661      66 760        s-trans-Propenoic acid
  457305.8732  0.0191 -4.4404 3  600.1531135  72503 30367 761      66 660        s-trans-Propenoic acid
  457305.8732  0.0191 -3.9576 3  600.1531135  72503 30367 761      66 760        s-trans-Propenoic acid
  457396.5166  0.0185 -3.9586 3  596.4362133  72503 30366 759      65 758        s-trans-Propenoic acid
  457396.5166  0.0185 -4.4647 3  596.4362133  72503 30366 759      65 858        s-trans-Propenoic acid
  457396.5166  0.0185 -4.4647 3  596.4362133  72503 30366 859      65 758        s-trans-Propenoic acid
  457396.5166  0.0185 -3.9586 3  596.4362133  72503 30366 859      65 858        s-trans-Propenoic acid
  457467.4829  0.0140 -3.9563 3  556.6758117  72503 303581840      571839        s-trans-Propenoic acid
  457525.6497  0.0110 -4.5940 3  324.8929 87  72503 303431331      421230        s-trans-Propenoic acid
  457544.5420  0.0178 -4.4909 3  592.1446131  72503 30365 857      64 956        s-trans-Propenoic acid
  457544.5422  0.0178 -3.9584 3  592.1446131  72503 30365 957      64 956        s-trans-Propenoic acid
  457544.5424  0.0178 -3.9584 3  592.1446131  72503 30365 857      64 856        s-trans-Propenoic acid
  457544.5425  0.0178 -4.4909 3  592.1446131  72503 30365 957      64 856        s-trans-Propenoic acid
  457605.8220  0.1678 -5.1382 3  787.2580123  72503 303613427      613328        s-trans-Propenoic acid
  457605.8220  0.1678 -5.1382 3  787.2580123  72503 303613428      613329        s-trans-Propenoic acid
  457642.2275  0.0042 -5.6938 3  153.2504 51  72503 303251114      24 915        s-trans-Propenoic acid
  457666.0719  0.4598 -5.7899 3 1209.1022167  72503 303833548      833449        s-trans-Propenoic acid
  457666.0719  0.4598 -5.7899 3 1209.1022167  72503 303833549      833450        s-trans-Propenoic acid
  457733.9485  0.0475 -5.9230 3  463.9969103  72503 303511933      511734        s-trans-Propenoic acid
  457762.9809  0.0057 -4.4836 3  291.8617 81  72503 303401328      391227        s-trans-Propenoic acid
  457778.8975  0.0170 -4.5198 3  587.2564129  72503 30364 955      631054        s-trans-Propenoic acid
  457778.9045  0.0170 -3.9568 3  587.2564129  72503 303641055      631054        s-trans-Propenoic acid
  457778.9111  0.0170 -3.9568 3  587.2564129  72503 30364 955      63 954        s-trans-Propenoic acid
  457778.9181  0.0170 -4.5198 3  587.2564129  72503 303641055      63 954        s-trans-Propenoic acid
  457787.8226  0.0754 -4.3489 3  713.5451121  72503 303603030      593029        s-trans-Propenoic acid
  457787.8226  0.0754 -4.3489 3  713.5451121  72503 303603031      593030        s-trans-Propenoic acid
  457874.0781  0.0280 -4.0333 3  214.2924 47  72503 3032321 2      2220 3        s-trans-Propenoic acid
  457874.0781  0.0280 -4.0333 3  214.2924 47  72503 3032321 3      2220 2        s-trans-Propenoic acid
  457926.4814  0.0051 -5.4551 3  154.5344 57  72503 30328 523      27 424        s-trans-Propenoic acid
  457937.7002  0.0051 -5.8380 3  154.5340 57  72503 30328 523      27 324        s-trans-Propenoic acid
  458011.9991  0.1637 -5.1194 3  771.7741121  72503 303603426      603327        s-trans-Propenoic acid
  458011.9991  0.1637 -5.1194 3  771.7741121  72503 303603427      603328        s-trans-Propenoic acid
  458144.5141  0.0249 -4.0447 3  596.0898119  72503 303592139      582138        s-trans-Propenoic acid
  458145.5411  0.0162 -4.5525 3  581.7423127  72503 303631053      621152        s-trans-Propenoic acid
  458145.7500  0.0162 -3.9537 3  581.7423127  72503 303631153      621152        s-trans-Propenoic acid
  458145.9351  0.0162 -3.9537 3  581.7423127  72503 303631053      621052        s-trans-Propenoic acid
  458146.1440  0.0162 -4.5525 3  581.7423127  72503 303631153      621052        s-trans-Propenoic acid
  458149.2013  0.0249 -4.0447 3  596.0899119  72503 303592138      582137        s-trans-Propenoic acid
  458155.7694  0.0471 -5.9223 3  463.9829103  72503 303511932      511735        s-trans-Propenoic acid
  458180.2375  0.0041 -5.6930 3  153.2323 51  72503 303251115      24 916        s-trans-Propenoic acid
  458286.6942  0.0178 -4.7020 3  545.6429119  72503 303591446      581345        s-trans-Propenoic acid
  458342.1011  0.0692 -4.3106 3  700.1749121  72503 303602931      592930        s-trans-Propenoic acid
  458342.1011  0.0692 -4.3106 3  700.1749121  72503 303602932      592931        s-trans-Propenoic acid
  458399.1688  0.1601 -5.1018 3  756.5500119  72503 303593425      593326        s-trans-Propenoic acid
  458399.1688  0.1601 -5.1018 3  756.5500119  72503 303593426      593327        s-trans-Propenoic acid
  458416.8174  0.1672 -5.8679 3  661.1842129  72503 303641945      641648        s-trans-Propenoic acid
  458423.1684  0.0116 -3.9352 3  549.7388117  72503 303581742      571741        s-trans-Propenoic acid
  458436.0402  0.1032 -5.7030 3 1051.2479179  72503 303891079      89 980        s-trans-Propenoic acid
  458436.0402  0.1032 -5.7030 3 1051.2479179  72503 303891179      891080        s-trans-Propenoic acid
  458492.5485  0.0948 -5.5551 3  906.3489169  72503 30384 777      84 678        s-trans-Propenoic acid
  458492.5485  0.0948 -5.5551 3  906.3489169  72503 30384 877      84 778        s-trans-Propenoic acid
  458509.9269  0.0101 -3.9180 3  543.3836117  72503 303581643      571642        s-trans-Propenoic acid
  458634.1782  0.4374 -5.7525 3 1187.8432165  72503 303823547      823448        s-trans-Propenoic acid
  458634.1782  0.4374 -5.7525 3 1187.8432165  72503 303823548      823449        s-trans-Propenoic acid
  458717.6824  0.0153 -4.5908 3  575.5605125  72503 303621151      611250        s-trans-Propenoic acid
  458722.6378  0.0153 -3.9487 3  575.5605125  72503 303621251      611250        s-trans-Propenoic acid
  458726.6879  0.0154 -3.9487 3  575.5602125  72503 303621151      611150        s-trans-Propenoic acid
  458731.6434  0.0154 -4.5908 3  575.5602125  72503 303621251      611150        s-trans-Propenoic acid
  458768.0268  0.1569 -5.0852 3  741.5854117  72503 303583424      583325        s-trans-Propenoic acid
  458768.0268  0.1569 -5.0852 3  741.5854117  72503 303583425      583326        s-trans-Propenoic acid
  458834.9169  0.0119 -3.8735 3  521.0130115  72503 303571443      561442        s-trans-Propenoic acid
  458956.9207  0.0631 -4.2737 3  687.2929121  72503 303602832      592831        s-trans-Propenoic acid
  458956.9207  0.0631 -4.2737 3  687.2929121  72503 303602833      592832        s-trans-Propenoic acid
  459103.6255  0.0050 -5.8364 3  154.5344 57  72503 30328 623      27 424        s-trans-Propenoic acid
  459106.8682  0.0228 -4.0610 3  217.1544 51  72503 3032520 5      2419 6        s-trans-Propenoic acid
  459106.8682  0.0228 -4.0610 3  217.1544 51  72503 3032520 6      2419 5        s-trans-Propenoic acid
  459114.8443  0.0050 -5.4535 3  154.5340 57  72503 30328 623      27 324        s-trans-Propenoic acid
  459119.2465  0.1542 -5.0699 3  726.8800115  72503 303573423      573324        s-trans-Propenoic acid
  459119.2465  0.1542 -5.0699 3  726.8800115  72503 303573424      573325        s-trans-Propenoic acid
  459139.9319  0.3022 -5.8733 3 1190.8618123  72503 3036154 7      6054 6        s-trans-Propenoic acid
  459139.9319  0.3022 -5.8733 3 1190.8618123  72503 3036154 8      6054 7        s-trans-Propenoic acid
  459234.7095  0.0885 -5.8988 3  476.1467107  72503 303531736      531439        s-trans-Propenoic acid
  459296.8619  0.2905 -5.7676 3 1166.2732123  72503 3036153 8      6053 7        s-trans-Propenoic acid
  459296.8619  0.2905 -5.7676 3 1166.2732123  72503 3036153 9      6053 8        s-trans-Propenoic acid
  459453.4800  0.1519 -5.0558 3  712.4334113  72503 303563422      563323        s-trans-Propenoic acid
  459453.4800  0.1519 -5.0558 3  712.4334113  72503 303563423      563324        s-trans-Propenoic acid
  459457.5260  0.2790 -5.6697 3 1142.1447123  72503 3036152 9      6052 8        s-trans-Propenoic acid
  459457.5260  0.2790 -5.6697 3 1142.1447123  72503 303615210      6052 9        s-trans-Propenoic acid
  459542.0221  0.0142 -4.6386 3  568.6499123  72503 303611249      601348        s-trans-Propenoic acid
  459563.5906  0.4160 -5.7159 3 1166.8516163  72503 303813546      813447        s-trans-Propenoic acid
  459563.5906  0.4160 -5.7159 3 1166.8516163  72503 303813547      813448        s-trans-Propenoic acid
  459566.6077  0.0088 -4.5540 3  313.5381 85  72503 303421330      411229        s-trans-Propenoic acid
  459590.4293  0.0070 -4.5165 3  302.5288 83  72503 303411329      401228        s-trans-Propenoic acid
  459622.3297  0.2677 -5.5782 3 1118.4766123  72503 303615110      6051 9        s-trans-Propenoic acid
  459622.3297  0.2677 -5.5782 3 1118.4766123  72503 303615111      605110        s-trans-Propenoic acid
  459633.8767  0.0145 -3.9414 3  568.6499123  72503 303611349      601348        s-trans-Propenoic acid
  459638.2241  0.0110 -4.7063 3  560.9297121  72503 303601347      591446        s-trans-Propenoic acid
  459643.5123  0.0573 -4.2383 3  674.9038121  72503 303602733      592732        s-trans-Propenoic acid
  459643.5123  0.0573 -4.2383 3  674.9038121  72503 303602734      592733        s-trans-Propenoic acid
  459653.8084  0.0114 -3.8543 3  509.7665113  72503 303561541      551540        s-trans-Propenoic acid
  459701.6773  0.0146 -3.9413 3  568.6446123  72503 303611249      601248        s-trans-Propenoic acid
  459712.1652  0.0943 -5.5187 3  820.3275163  72503 30381 576      81 477        s-trans-Propenoic acid
  459712.1652  0.0943 -5.5187 3  820.3275163  72503 30381 676      81 577        s-trans-Propenoic acid
  459771.3590  0.1500 -5.0429 3  698.2455111  72503 303553421      553322        s-trans-Propenoic acid
  459771.3590  0.1500 -5.0429 3  698.2455111  72503 303553422      553323        s-trans-Propenoic acid
  459791.7203  0.2566 -5.4920 3 1095.2693123  72503 303615011      605010        s-trans-Propenoic acid
  459791.7203  0.2566 -5.4920 3 1095.2693123  72503 303615012      605011        s-trans-Propenoic acid
  459793.5318  0.0148 -4.6381 3  568.6446123  72503 303611349      601248        s-trans-Propenoic acid
  459832.3062  0.0150 -4.8155 3  567.7849121  72503 303601446      591545        s-trans-Propenoic acid
  459966.1924  0.2458 -5.4105 3 1072.5232123  72503 303614912      604911        s-trans-Propenoic acid
  459966.1924  0.2458 -5.4105 3 1072.5232123  72503 303614913      604912        s-trans-Propenoic acid
  459989.5893  0.0326 -4.7414 3  443.7678105  72503 303521439      511338        s-trans-Propenoic acid
  460008.4628  0.0050 -5.2027 3  180.8300 61  72503 30330 922      29 623        s-trans-Propenoic acid
  460031.3439  0.0209 -4.0172 3  587.3780119  72503 303592040      582039        s-trans-Propenoic acid
  460073.4959  0.1484 -5.0315 3  684.3158109  72503 303543420      543321        s-trans-Propenoic acid
  460073.4959  0.1484 -5.0315 3  684.3158109  72503 303543421      543322        s-trans-Propenoic acid
  460073.9401  0.0208 -4.0171 3  587.3796119  72503 303592039      582038        s-trans-Propenoic acid
  460129.6777  0.1116 -5.7777 3 1108.4202183  72503 303911180      911081        s-trans-Propenoic acid
  460129.6777  0.1116 -5.7777 3 1108.4202183  72503 303911280      911181        s-trans-Propenoic acid
  460142.7297  0.1256 -5.8815 3  696.1568133  72503 303661947      661650        s-trans-Propenoic acid
  460146.2941  0.2351 -5.3329 3 1050.2387123  72503 303614813      604812        s-trans-Propenoic acid
  460146.2941  0.2351 -5.3329 3 1050.2387123  72503 303614814      604813        s-trans-Propenoic acid
  460239.0191  0.1023 -5.8742 3  657.4852151  72503 30375 174      75 075        s-trans-Propenoic acid
  460239.0191  0.1023 -5.8742 3  657.4852151  72503 30375 274      75 175        s-trans-Propenoic acid
  460270.4481  0.0050 -5.6797 3  165.6669 59  72503 30329 723      28 524        s-trans-Propenoic acid
  460277.4157  0.0960 -5.5653 3  737.3593157  72503 30378 375      78 276        s-trans-Propenoic acid
  460277.4157  0.0960 -5.5653 3  737.3593157  72503 30378 475      78 376        s-trans-Propenoic acid
  460299.9597  0.0182 -4.0912 3  221.5247 55  72503 3032719 8      2618 9        s-trans-Propenoic acid
  460299.9597  0.0182 -4.0912 3  221.5247 55  72503 3032719 9      2618 8        s-trans-Propenoic acid
  460332.6342  0.2247 -5.2590 3 1028.4162123  72503 303614714      604713        s-trans-Propenoic acid
  460332.6342  0.2247 -5.2590 3 1028.4162123  72503 303614715      604714        s-trans-Propenoic acid
  460360.4846  0.1471 -5.0215 3  670.6442107  72503 303533419      533320        s-trans-Propenoic acid
  460360.4846  0.1471 -5.0215 3  670.6442107  72503 303533420      533321        s-trans-Propenoic acid
  460370.2618  0.0049 -5.3077 3  165.6635 59  72503 30329 723      28 424        s-trans-Propenoic acid
  460416.1186  0.0516 -4.2041 3  663.0133121  72503 303602634      592633        s-trans-Propenoic acid
  460416.1186  0.0516 -4.2041 3  663.0133121  72503 303602635      592634        s-trans-Propenoic acid
  460455.7888  0.3958 -5.6800 3 1146.1270161  72503 303803545      803446        s-trans-Propenoic acid
  460455.7888  0.3958 -5.6800 3 1146.1270161  72503 303803546      803447        s-trans-Propenoic acid
  460509.2126  0.1448 -5.2736 3  686.3104133  72503 303661749      651848        s-trans-Propenoic acid
  460525.8906  0.2145 -5.1882 3 1007.0562123  72503 303614615      604614        s-trans-Propenoic acid
  460525.8906  0.2145 -5.1882 3 1007.0562123  72503 303614616      604615        s-trans-Propenoic acid
  460632.9010  0.1460 -5.0130 3  657.2303105  72503 303523418      523319        s-trans-Propenoic acid
  460632.9010  0.1460 -5.0130 3  657.2303105  72503 303523419      523320        s-trans-Propenoic acid
  460726.8203  0.2045 -5.1203 3  986.1592123  72503 303614516      604515        s-trans-Propenoic acid
  460726.8203  0.2045 -5.1203 3  986.1592123  72503 303614517      604516        s-trans-Propenoic acid
  460736.5865  0.0996 -5.6055 3  960.2106173  72503 30386 878      86 779        s-trans-Propenoic acid
  460736.5865  0.0996 -5.6055 3  960.2106173  72503 30386 978      86 879        s-trans-Propenoic acid
  460891.3044  0.1452 -5.0062 3  644.0739103  72503 303513417      513318        s-trans-Propenoic acid
  460891.3044  0.1452 -5.0062 3  644.0739103  72503 303513418      513319        s-trans-Propenoic acid
  460923.3209  0.0133 -3.9316 3  560.9297121  72503 303601447      591446        s-trans-Propenoic acid
  460936.2705  0.1947 -5.0552 3  965.7258123  72503 303614417      604416        s-trans-Propenoic acid
  460936.2705  0.1947 -5.0552 3  965.7258123  72503 303614418      604417        s-trans-Propenoic acid
  461046.1542  0.0040 -4.4465 3  281.3497 79  72503 303391326      381227        s-trans-Propenoic acid
  461136.2375  0.1446 -5.0011 3  631.1748101  72503 303503416      503317        s-trans-Propenoic acid
  461136.2375  0.1446 -5.0011 3  631.1748101  72503 303503417      503318        s-trans-Propenoic acid
  461155.1929  0.1851 -4.9925 3  945.7565123  72503 303614318      604317        s-trans-Propenoic acid
  461155.1929  0.1851 -4.9925 3  945.7565123  72503 303614319      604318        s-trans-Propenoic acid
  461293.1700  0.0461 -4.1713 3  651.6285121  72503 303602536      592535        s-trans-Propenoic acid
  461293.1703  0.0461 -4.1713 3  651.6285121  72503 303602535      592534        s-trans-Propenoic acid
  461312.1790  0.3765 -5.6449 3 1125.6690159  72503 303793544      793445        s-trans-Propenoic acid
  461312.1790  0.3765 -5.6449 3 1125.6690159  72503 303793545      793446        s-trans-Propenoic acid
  461368.2273  0.1442 -4.9980 3  618.5326 99  72503 303493415      493316        s-trans-Propenoic acid
  461368.2273  0.1442 -4.9980 3  618.5326 99  72503 303493416      493317        s-trans-Propenoic acid
  461384.6591  0.1757 -4.9322 3  926.2520123  72503 303614219      604218        s-trans-Propenoic acid
  461384.6591  0.1757 -4.9322 3  926.2520123  72503 303614220      604219        s-trans-Propenoic acid
  461408.9346  0.0142 -4.1252 3  227.4209 59  72503 303291811      281712        s-trans-Propenoic acid
  461408.9346  0.0142 -4.1252 3  227.4209 59  72503 303291812      281711        s-trans-Propenoic acid
  461430.6614  0.1058 -5.8826 3  655.1127129  72503 303641846      641549        s-trans-Propenoic acid
  461448.3025  0.0435 -5.9208 3  450.6994101  72503 303501932      501733        s-trans-Propenoic acid
  461454.4320  0.1366 -5.8777 3  556.5428117  72503 303581840      581543        s-trans-Propenoic acid
  461587.7860  0.1440 -4.9970 3  606.1472 97  72503 303483414      483315        s-trans-Propenoic acid
  461587.7860  0.1440 -4.9970 3  606.1472 97  72503 303483415      483316        s-trans-Propenoic acid
  461608.9950  0.0113 -3.9211 3  552.3873119  72503 303591545      581544        s-trans-Propenoic acid
  461625.8807  0.1666 -4.8740 3  907.2130123  72503 303614120      604119        s-trans-Propenoic acid
  461625.8807  0.1666 -4.8740 3  907.2130123  72503 303614121      604120        s-trans-Propenoic acid
  461632.7874  0.1226 -5.8589 3 1166.8917187  72503 303931281      931182        s-trans-Propenoic acid
  461632.7874  0.1226 -5.8589 3 1166.8917187  72503 303931381      931282        s-trans-Propenoic acid
  461676.3889  0.0434 -5.9205 3  450.6919101  72503 303501931      501734        s-trans-Propenoic acid
  461744.9511  0.0145 -3.9299 3  560.8594121  72503 303601347      591346        s-trans-Propenoic acid
  461772.9701  0.0046 -4.3403 3  267.0368 75  72503 303371424      361323        s-trans-Propenoic acid
  461795.4108  0.1438 -4.9984 3  594.0183 95  72503 303473413      473314        s-trans-Propenoic acid
  461795.4108  0.1438 -4.9984 3  594.0183 95  72503 303473414      473315        s-trans-Propenoic acid
  461880.2316  0.1577 -4.8180 3  888.6402123  72503 303614021      604020        s-trans-Propenoic acid
  461880.2316  0.1577 -4.8180 3  888.6402123  72503 303614022      604021        s-trans-Propenoic acid
  461991.5850  0.1438 -5.0025 3  582.1456 93  72503 303463412      463313        s-trans-Propenoic acid
  461991.5850  0.1438 -5.0025 3  582.1456 93  72503 303463413      463314        s-trans-Propenoic acid
  462004.5933  0.0046 -4.3399 3  267.0303 75  72503 303371423      361324        s-trans-Propenoic acid
  462134.0995  0.3583 -5.6106 3 1105.4769157  72503 303783543      783444        s-trans-Propenoic acid
  462134.0995  0.3583 -5.6106 3 1105.4769157  72503 303783544      783445        s-trans-Propenoic acid
  462149.2766  0.1489 -4.7639 3  870.5346123  72503 303613922      603921        s-trans-Propenoic acid
  462149.2766  0.1489 -4.7639 3  870.5346123  72503 303613923      603922        s-trans-Propenoic acid
  462176.7784  0.1439 -5.0095 3  570.5290 91  72503 303453411      453312        s-trans-Propenoic acid
  462176.7784  0.1439 -5.0095 3  570.5290 91  72503 303453412      453313        s-trans-Propenoic acid
  462280.1476  0.0050 -5.5552 3  177.0363 61  72503 30330 823      29 624        s-trans-Propenoic acid
  462293.6870  0.0986 -5.5433 3  872.1616167  72503 30383 677      83 578        s-trans-Propenoic acid
  462293.6870  0.0986 -5.5433 3  872.1616167  72503 30383 777      83 678        s-trans-Propenoic acid
  462299.1175  0.0408 -4.1397 3  640.7583121  72503 303602437      592436        s-trans-Propenoic acid
  462299.1233  0.0408 -4.1397 3  640.7583121  72503 303602436      592435        s-trans-Propenoic acid
  462338.7753  0.0172 -3.9905 3  579.2814119  72503 303591941      581940        s-trans-Propenoic acid
  462351.4474  0.1441 -5.0199 3  559.1682 89  72503 303443410      443311        s-trans-Propenoic acid
  462351.4474  0.1441 -5.0199 3  559.1682 89  72503 303443411      443312        s-trans-Propenoic acid
  462354.7194  0.0108 -4.1641 3  234.8685 63  72503 303311715      301614        s-trans-Propenoic acid
  462354.7196  0.0108 -4.1641 3  234.8685 63  72503 303311714      301615        s-trans-Propenoic acid
  462434.8049  0.1404 -4.7117 3  852.8971123  72503 303613823      603822        s-trans-Propenoic acid
  462434.8049  0.1404 -4.7117 3  852.8971123  72503 303613824      603823        s-trans-Propenoic acid
  462516.0357  0.1443 -5.0343 3  548.0630 87  72503 3034334 9      433310        s-trans-Propenoic acid
  462516.0357  0.1443 -5.0343 3  548.0630 87  72503 303433410      433311        s-trans-Propenoic acid
  462662.5861  0.0172 -3.9899 3  579.2953119  72503 303591940      581939        s-trans-Propenoic acid
  462670.9744  0.1447 -5.0535 3  537.2132 85  72503 3034234 8      4233 9        s-trans-Propenoic acid
  462670.9744  0.1447 -5.0535 3  537.2132 85  72503 3034234 9      423310        s-trans-Propenoic acid
  462738.8715  0.1321 -4.6613 3  835.7287123  72503 303613724      603723        s-trans-Propenoic acid
  462738.8715  0.1321 -4.6613 3  835.7287123  72503 303613725      603724        s-trans-Propenoic acid
  462808.9888  0.1052 -5.6658 3 1015.3881177  72503 30388 979      88 880        s-trans-Propenoic acid
  462808.9888  0.1052 -5.6658 3 1015.3881177  72503 303881079      88 980        s-trans-Propenoic acid
  462816.6826  0.1450 -5.0784 3  526.6186 83  72503 3034134 7      4133 8        s-trans-Propenoic acid
  462816.6826  0.1450 -5.0784 3  526.6186 83  72503 3034134 8      4133 9        s-trans-Propenoic acid
  462922.8261  0.3411 -5.5772 3 1085.5505155  72503 303773542      773443        s-trans-Propenoic acid
  462922.8261  0.3411 -5.5772 3 1085.5505155  72503 303773543      773444        s-trans-Propenoic acid
  462953.5676  0.1454 -5.1105 3  516.2789 81  72503 3034034 6      4033 7        s-trans-Propenoic acid
  462953.5676  0.1454 -5.1105 3  516.2789 81  72503 3034034 7      4033 8        s-trans-Propenoic acid
  462955.9880  0.0049 -5.2037 3  177.0138 61  72503 30330 823      29 524        s-trans-Propenoic acid
  462992.9047  0.0080 -4.2101 3  243.9058 67  72503 303331618      321517        s-trans-Propenoic acid
  462992.9419  0.0080 -4.2101 3  243.9058 67  72503 303331617      321518        s-trans-Propenoic acid
  463030.0479  0.0175 -4.6995 3  560.8594121  72503 303601447      591346        s-trans-Propenoic acid
  463041.3227  0.0059 -4.2665 3  254.5932 71  72503 303351521      341420        s-trans-Propenoic acid
  463045.3790  0.0059 -4.2664 3  254.5931 71  72503 303351520      341421        s-trans-Propenoic acid
  463063.8490  0.1241 -4.6126 3  819.0308123  72503 303613625      603624        s-trans-Propenoic acid
  463063.8490  0.1241 -4.6126 3  819.0308123  72503 303613626      603625        s-trans-Propenoic acid
  463082.0249  0.1459 -5.1519 3  506.1940 79  72503 3033934 5      3933 6        s-trans-Propenoic acid
  463082.0249  0.1459 -5.1519 3  506.1940 79  72503 3033934 6      3933 7        s-trans-Propenoic acid
  463126.5830  0.0043 -5.6467 3  159.7443 53  72503 303261115      25 916        s-trans-Propenoic acid
  463173.0696  0.0991 -5.5395 3  787.1447161  72503 30380 476      80 377        s-trans-Propenoic acid
  463173.0696  0.0991 -5.5395 3  787.1447161  72503 30380 576      80 477        s-trans-Propenoic acid
  463202.4389  0.1463 -5.2059 3  496.3637 77  72503 3033834 4      3833 5        s-trans-Propenoic acid
  463202.4389  0.1463 -5.2059 3  496.3637 77  72503 3033834 5      3833 6        s-trans-Propenoic acid
  463262.0787  0.0144 -3.8905 3  536.3181117  72503 303581444      571443        s-trans-Propenoic acid
  463315.1829  0.1468 -5.2780 3  486.7878 75  72503 3033734 3      3733 4        s-trans-Propenoic acid
  463315.1829  0.1468 -5.2780 3  486.7878 75  72503 3033734 4      3733 5        s-trans-Propenoic acid
  463341.0773  0.0169 -3.8856 3  529.3501115  72503 303571641      561640        s-trans-Propenoic acid
  463393.4577  0.0048 -5.4555 3  184.6887 61  72503 303301021      29 822        s-trans-Propenoic acid
  463412.4905  0.1162 -4.5657 3  802.8046123  72503 303613526      603525        s-trans-Propenoic acid
  463412.4905  0.1162 -4.5657 3  802.8046123  72503 303613527      603526        s-trans-Propenoic acid
  463418.4218  0.0284 -3.9565 3  624.8086145  72503 30372 270      71 269        s-trans-Propenoic acid
  463418.4218  0.0284 -4.3672 3  624.8086145  72503 30372 270      71 369        s-trans-Propenoic acid
  463418.4218  0.0284 -4.3672 3  624.8086145  72503 30372 370      71 269        s-trans-Propenoic acid
  463418.4218  0.0284 -3.9565 3  624.8086145  72503 30372 370      71 369        s-trans-Propenoic acid
  463419.4341  0.0250 -3.9617 3  623.2558143  72503 30371 368      70 367        s-trans-Propenoic acid
  463419.4341  0.0250 -4.3876 3  623.2558143  72503 30371 368      70 467        s-trans-Propenoic acid
  463419.4341  0.0250 -4.3876 3  623.2558143  72503 30371 468      70 367        s-trans-Propenoic acid
  463419.4341  0.0250 -3.9617 3  623.2558143  72503 30371 468      70 467        s-trans-Propenoic acid
  463420.6193  0.1473 -5.3783 3  477.4661 73  72503 3033634 2      3633 3        s-trans-Propenoic acid
  463420.6193  0.1473 -5.3783 3  477.4661 73  72503 3033634 3      3633 4        s-trans-Propenoic acid
  463421.8165  0.0337 -3.9502 3  625.8421147  72503 30373 172      72 171        s-trans-Propenoic acid
  463421.8165  0.0337 -4.3471 3  625.8421147  72503 30373 172      72 271        s-trans-Propenoic acid
  463421.8165  0.0337 -4.3471 3  625.8421147  72503 30373 272      72 171        s-trans-Propenoic acid
  463421.8165  0.0337 -3.9502 3  625.8421147  72503 30373 272      72 271        s-trans-Propenoic acid
  463426.1483  0.0412 -3.9429 3  626.3618149  72503 30374 074      73 073        s-trans-Propenoic acid
  463426.1483  0.0412 -4.3271 3  626.3618149  72503 30374 074      73 173        s-trans-Propenoic acid
  463426.1483  0.0412 -4.3271 3  626.3618149  72503 30374 174      73 073        s-trans-Propenoic acid
  463426.1483  0.0412 -3.9429 3  626.3618149  72503 30374 174      73 173        s-trans-Propenoic acid
  463429.2213  0.1029 -5.6677 3  705.2017155  72503 30377 275      77 176        s-trans-Propenoic acid
  463429.2213  0.1029 -5.6677 3  705.2017155  72503 30377 375      77 276        s-trans-Propenoic acid
  463429.4997  0.0229 -3.9660 3  621.1771141  72503 30370 466      69 465        s-trans-Propenoic acid
  463429.4997  0.0229 -4.4084 3  621.1771141  72503 30370 466      69 565        s-trans-Propenoic acid
  463429.4997  0.0229 -4.4084 3  621.1771141  72503 30370 566      69 465        s-trans-Propenoic acid
  463429.4997  0.0229 -3.9660 3  621.1771141  72503 30370 566      69 565        s-trans-Propenoic acid
  463454.9297  0.0216 -3.9692 3  618.5643139  72503 30369 564      68 563        s-trans-Propenoic acid
  463454.9297  0.0216 -4.4298 3  618.5643139  72503 30369 564      68 663        s-trans-Propenoic acid
  463454.9297  0.0216 -4.4298 3  618.5643139  72503 30369 664      68 563        s-trans-Propenoic acid
  463454.9297  0.0216 -3.9692 3  618.5643139  72503 30369 664      68 663        s-trans-Propenoic acid
  463467.4197  0.0358 -4.1092 3  630.4144121  72503 303602338      592337        s-trans-Propenoic acid
  463467.4965  0.0358 -4.1092 3  630.4144121  72503 303602337      592336        s-trans-Propenoic acid
  463504.4476  0.0208 -3.9713 3  615.4072137  72503 30368 662      67 661        s-trans-Propenoic acid
  463504.4476  0.0208 -4.4522 3  615.4072137  72503 30368 662      67 761        s-trans-Propenoic acid
  463504.4476  0.0208 -4.4522 3  615.4072137  72503 30368 762      67 661        s-trans-Propenoic acid
  463504.4476  0.0208 -3.9713 3  615.4072137  72503 30368 762      67 761        s-trans-Propenoic acid
  463519.0998  0.1479 -5.5301 3  468.3985 71  72503 3033534 1      3533 2        s-trans-Propenoic acid
  463519.0998  0.1479 -5.5301 3  468.3985 71  72503 3033534 2      3533 3        s-trans-Propenoic acid
  463590.3717  0.0201 -3.9722 3  611.6933135  72503 30367 760      66 759        s-trans-Propenoic acid
  463590.3717  0.0201 -4.4758 3  611.6933135  72503 30367 760      66 859        s-trans-Propenoic acid
  463590.3717  0.0201 -4.4758 3  611.6933135  72503 30367 860      66 759        s-trans-Propenoic acid
  463590.3717  0.0201 -3.9722 3  611.6933135  72503 30367 860      66 859        s-trans-Propenoic acid
  463610.9657  0.1484 -5.8072 3  459.5847 69  72503 3033434 0      3433 1        s-trans-Propenoic acid
  463610.9657  0.1484 -5.8072 3  459.5847 69  72503 3033434 1      3433 2        s-trans-Propenoic acid
  463679.5761  0.3249 -5.5444 3 1065.8892153  72503 303763541      763442        s-trans-Propenoic acid
  463679.5761  0.3249 -5.5444 3 1065.8892153  72503 303763542      763443        s-trans-Propenoic acid
  463730.5746  0.0194 -4.5011 3  607.4067133  72503 30366 858      65 957        s-trans-Propenoic acid
  463730.5747  0.0194 -3.9719 3  607.4067133  72503 30366 958      65 957        s-trans-Propenoic acid
  463730.5748  0.0194 -3.9719 3  607.4067133  72503 30366 858      65 857        s-trans-Propenoic acid
  463730.5749  0.0194 -4.5011 3  607.4067133  72503 30366 958      65 857        s-trans-Propenoic acid
  463788.0109  0.1085 -4.5203 3  787.0517123  72503 303613427      603426        s-trans-Propenoic acid
  463788.0109  0.1085 -4.5203 3  787.0517123  72503 303613428      603427        s-trans-Propenoic acid
  463951.9084  0.0186 -4.5290 3  602.5263131  72503 30365 956      641055        s-trans-Propenoic acid
  463951.9119  0.0186 -3.9702 3  602.5263131  72503 303651056      641055        s-trans-Propenoic acid
  463951.9154  0.0186 -3.9702 3  602.5263131  72503 30365 956      64 955        s-trans-Propenoic acid
  463951.9189  0.0186 -4.5290 3  602.5263131  72503 303651056      64 955        s-trans-Propenoic acid
  464142.6855  0.0065 -5.2051 3  238.6121 73  72503 303361026      35 827        s-trans-Propenoic acid
  464168.5911  0.0336 -4.0062 3  218.2187 45  72503 3032222 0      2121 1        s-trans-Propenoic acid
  464168.5911  0.0336 -4.0062 3  218.2187 45  72503 3032222 1      2121 0        s-trans-Propenoic acid
  464192.1129  0.0042 -5.6453 3  159.7082 53  72503 303261116      25 917        s-trans-Propenoic acid
  464194.1879  0.1011 -4.4766 3  771.7741123  72503 303613328      603327        s-trans-Propenoic acid
  464194.1879  0.1011 -4.4766 3  771.7741123  72503 303613329      603328        s-trans-Propenoic acid
  464199.0295  0.0161 -3.9247 3  550.0840117  72503 303581741      571740        s-trans-Propenoic acid
  464296.5335  0.0178 -4.5603 3  597.0244129  72503 303641054      631153        s-trans-Propenoic acid
  464296.6437  0.0178 -3.9670 3  597.0244129  72503 303641154      631153        s-trans-Propenoic acid
  464296.7424  0.0178 -3.9670 3  597.0244129  72503 303641054      631053        s-trans-Propenoic acid
  464296.8526  0.0178 -4.5603 3  597.0244129  72503 303641154      631053        s-trans-Propenoic acid
  464405.5127  0.3096 -5.5125 3 1046.4927151  72503 303753540      753441        s-trans-Propenoic acid
  464405.5127  0.3096 -5.5125 3 1046.4927151  72503 303753541      753442        s-trans-Propenoic acid
  464635.4946  0.0938 -4.4343 3  756.9738123  72503 303613229      603228        s-trans-Propenoic acid
  464635.4946  0.0938 -4.4343 3  756.9738123  72503 303613230      603229        s-trans-Propenoic acid
  464705.0675  0.1119 -5.7344 3 1071.8761181  72503 303901080      90 981        s-trans-Propenoic acid
  464705.0675  0.1119 -5.7344 3 1071.8761181  72503 303901180      901081        s-trans-Propenoic acid
  464714.1206  0.1033 -5.5831 3  925.3222171  72503 30385 778      85 679        s-trans-Propenoic acid
  464714.1206  0.1033 -5.5831 3  925.3222171  72503 30385 878      85 779        s-trans-Propenoic acid
  464832.3026  0.0169 -4.5968 3  590.8618127  72503 303631152      621251        s-trans-Propenoic acid
  464835.0118  0.0169 -3.9620 3  590.8618127  72503 303631252      621251        s-trans-Propenoic acid
  464837.2581  0.0169 -3.9620 3  590.8616127  72503 303631152      621151        s-trans-Propenoic acid
  464839.9673  0.0169 -4.5968 3  590.8616127  72503 303631252      621151        s-trans-Propenoic acid
  464845.5469  0.0309 -4.0800 3  620.6120121  72503 303602239      592238        s-trans-Propenoic acid
  464846.4377  0.0309 -4.0800 3  620.6120121  72503 303602238      592237        s-trans-Propenoic acid
  464908.7967  0.0144 -3.9651 3  571.8370119  72503 303591842      581841        s-trans-Propenoic acid
  465101.7483  0.2952 -5.4815 3 1027.3605149  72503 303743539      743440        s-trans-Propenoic acid
  465101.7483  0.2952 -5.4815 3 1027.3605149  72503 303743540      743441        s-trans-Propenoic acid
  465117.2703  0.0868 -4.3936 3  742.6532123  72503 303613130      603129        s-trans-Propenoic acid
  465117.2703  0.0868 -4.3936 3  742.6532123  72503 303613131      603130        s-trans-Propenoic acid
  465413.2476  0.0277 -4.0324 3  220.0960 49  72503 3032421 3      2320 4        s-trans-Propenoic acid
  465413.2476  0.0277 -4.0324 3  220.0960 49  72503 3032421 4      2320 3        s-trans-Propenoic acid
  465630.8984  0.0158 -4.6417 3  583.9816125  72503 303621250      611349        s-trans-Propenoic acid
  465645.9495  0.0799 -4.3543 3  728.8153123  72503 303613031      603030        s-trans-Propenoic acid
  465645.9495  0.0799 -4.3543 3  728.8153123  72503 303613032      603031        s-trans-Propenoic acid
  465683.2925  0.0160 -3.9549 3  583.9816125  72503 303621350      611349        s-trans-Propenoic acid
  465722.7529  0.0161 -3.9548 3  583.9786125  72503 303621250      611249        s-trans-Propenoic acid
  465769.3486  0.2817 -5.4512 3 1008.4921147  72503 303733538      733439        s-trans-Propenoic acid
  465769.3486  0.2817 -5.4512 3 1008.4921147  72503 303733539      733440        s-trans-Propenoic acid
  465775.1470  0.0162 -4.6414 3  583.9786125  72503 303621350      611249        s-trans-Propenoic acid
  465916.3410  0.1030 -5.5447 3  838.2671165  72503 30382 577      82 478        s-trans-Propenoic acid
  465916.3410  0.1030 -5.5447 3  838.2671165  72503 30382 677      82 578        s-trans-Propenoic acid
  465974.7686  0.0110 -3.9279 3  558.6778119  72503 303591644      581643        s-trans-Propenoic acid
  466164.0584  0.0132 -4.7028 3  576.3044123  72503 303611348      601447        s-trans-Propenoic acid
  466229.3700  0.0733 -4.3164 3  715.4635123  72503 303612932      602931        s-trans-Propenoic acid
  466229.3700  0.0733 -4.3164 3  715.4635123  72503 303612933      602932        s-trans-Propenoic acid
  466409.3350  0.2691 -5.4217 3  989.8873145  72503 303723537      723438        s-trans-Propenoic acid
  466409.3350  0.2691 -5.4217 3  989.8873145  72503 303723538      723439        s-trans-Propenoic acid
  466419.6807  0.1204 -5.8104 3 1129.6692185  72503 303921181      921082        s-trans-Propenoic acid
  466419.6807  0.1204 -5.8104 3 1129.6692185  72503 303921281      921182        s-trans-Propenoic acid
  466437.2107  0.1115 -5.8959 3  673.3573153  72503 30376 175      76 076        s-trans-Propenoic acid
  466437.2107  0.1115 -5.8959 3  673.3573153  72503 30376 275      76 176        s-trans-Propenoic acid
  466474.3339  0.1049 -5.5891 3  754.2653159  72503 30379 376      79 277        s-trans-Propenoic acid
  466474.3339  0.1049 -5.5891 3  754.2653159  72503 30379 476      79 377        s-trans-Propenoic acid
  466502.5094  0.0262 -4.0517 3  611.3718121  72503 303602140      592139        s-trans-Propenoic acid
  466511.4846  0.0262 -4.0517 3  611.3721121  72503 303602139      592138        s-trans-Propenoic acid
  466637.0979  0.0225 -4.0606 3  223.4728 53  72503 3032620 6      2519 7        s-trans-Propenoic acid
  466637.0979  0.0225 -4.0606 3  223.4728 53  72503 3032620 7      2519 6        s-trans-Propenoic acid
  466649.2732  0.0066 -5.2017 3  184.4313 63  72503 30331 724      30 625        s-trans-Propenoic acid
  466720.5568  0.3206 -5.8365 3 1206.1770125  72503 3036254 8      6154 7        s-trans-Propenoic acid
  466720.5568  0.3206 -5.8365 3 1206.1770125  72503 3036254 9      6154 8        s-trans-Propenoic acid
  466751.5866  0.0122 -3.9430 3  565.0301119  72503 303591743      581742        s-trans-Propenoic acid
  466866.1305  0.0152 -3.9617 3  571.9353119  72503 303591841      581840        s-trans-Propenoic acid
  466877.1995  0.0669 -4.2799 3  702.6020123  72503 303612833      602832        s-trans-Propenoic acid
  466877.1995  0.0669 -4.2799 3  702.6020123  72503 303612834      602833        s-trans-Propenoic acid
  466882.9867  0.3082 -5.7376 3 1181.5937125  72503 3036253 9      6153 8        s-trans-Propenoic acid
  466882.9867  0.3082 -5.7376 3 1181.5937125  72503 303625310      6153 9        s-trans-Propenoic acid
  466885.4327  0.1868 -5.8898 3  643.9118127  72503 303631944      631647        s-trans-Propenoic acid
  466887.5752  0.0320 -4.7346 3  429.8803103  72503 303511438      501337        s-trans-Propenoic acid
  466937.9971  0.0149 -3.9451 3  576.3044123  72503 303611448      601447        s-trans-Propenoic acid
  466969.6878  0.1084 -5.6349 3  979.8041175  72503 30387 879      87 780        s-trans-Propenoic acid
  466969.6878  0.1084 -5.6349 3  979.8041175  72503 30387 979      87 880        s-trans-Propenoic acid
  467022.6878  0.2574 -5.3931 3  971.5456143  72503 303713536      713437        s-trans-Propenoic acid
  467022.6878  0.2574 -5.3931 3  971.5456143  72503 303713537      713438        s-trans-Propenoic acid
  467030.7467  0.0065 -5.5625 3  184.4186 63  72503 30331 724      30 525        s-trans-Propenoic acid
  467049.3844  0.2960 -5.6451 3 1157.4705125  72503 303625210      6152 9        s-trans-Propenoic acid
  467049.3844  0.2960 -5.6451 3 1157.4705125  72503 303625211      615210        s-trans-Propenoic acid
  467220.1763  0.2840 -5.5580 3 1133.8079125  72503 303625111      615110        s-trans-Propenoic acid
  467220.1763  0.2840 -5.5580 3 1133.8079125  72503 303625112      615111        s-trans-Propenoic acid
  467395.8330  0.2722 -5.4754 3 1110.6063125  72503 303625012      615011        s-trans-Propenoic acid
  467395.8330  0.2722 -5.4754 3 1110.6063125  72503 303625013      615012        s-trans-Propenoic acid
  467449.1553  0.0158 -3.9441 3  576.2616123  72503 303611348      601347        s-trans-Propenoic acid
  467576.8747  0.2607 -5.3968 3 1087.8660125  72503 303624913      614912        s-trans-Propenoic acid
  467576.8747  0.2607 -5.3968 3 1087.8660125  72503 303624914      614913        s-trans-Propenoic acid
  467601.5400  0.0606 -4.2448 3  690.2358123  72503 303612734      602733        s-trans-Propenoic acid
  467601.5400  0.0606 -4.2448 3  690.2358123  72503 303612735      602734        s-trans-Propenoic acid
  467610.3486  0.2465 -5.3654 3  953.4667141  72503 303703535      703436        s-trans-Propenoic acid
  467610.3486  0.2465 -5.3654 3  953.4667141  72503 303703536      703437        s-trans-Propenoic acid
  467666.0447  0.0162 -3.9076 3  551.7709119  72503 303591445      581444        s-trans-Propenoic acid
  467763.8781  0.2494 -5.3218 3 1065.5875125  72503 303624814      614813        s-trans-Propenoic acid
  467763.8781  0.2494 -5.3218 3 1065.5875125  72503 303624815      614814        s-trans-Propenoic acid
  467803.2275  0.0100 -3.8628 3  525.0989115  72503 303571542      561541        s-trans-Propenoic acid
  467811.2801  0.0179 -4.0916 3  228.3624 57  72503 3032819 9      271810        s-trans-Propenoic acid
  467811.2801  0.0179 -4.0916 3  228.3624 57  72503 303281910      2718 9        s-trans-Propenoic acid
  467947.1758  0.1317 -5.8929 3 1188.7618189  72503 303941282      941183        s-trans-Propenoic acid
  467947.1758  0.1317 -5.8929 3 1188.7618189  72503 303941382      941283        s-trans-Propenoic acid
  467957.4840  0.2383 -5.2500 3 1043.7712125  72503 303624715      614714        s-trans-Propenoic acid
  467957.4840  0.2383 -5.2500 3 1043.7712125  72503 303624716      614715        s-trans-Propenoic acid
  467971.9286  0.0130 -3.9339 3  567.7849121  72503 303601546      591545        s-trans-Propenoic acid
  468052.5983  0.0045 -5.6029 3  166.5268 55  72503 303271116      26 917        s-trans-Propenoic acid
  468158.4059  0.2275 -5.1812 3 1022.4177125  72503 303624616      614615        s-trans-Propenoic acid
  468158.4059  0.2275 -5.1812 3 1022.4177125  72503 303624617      614616        s-trans-Propenoic acid
  468173.2229  0.2364 -5.3385 3  935.6501139  72503 303693534      693435        s-trans-Propenoic acid
  468173.2229  0.2364 -5.3385 3  935.6501139  72503 303693535      693436        s-trans-Propenoic acid
  468219.5925  0.0053 -5.8927 3  139.7091 45  72503 303221210      211011        s-trans-Propenoic acid
  468222.5250  0.0053 -5.8927 3  139.7090 45  72503 303221211      211012        s-trans-Propenoic acid
  468223.0940  0.0178 -4.6988 3  576.2616123  72503 303611448      601347        s-trans-Propenoic acid
  468353.1797  0.0048 -4.3533 3  276.6478 77  72503 303381425      371324        s-trans-Propenoic acid
  468367.4408  0.2169 -5.1150 3 1001.5274125  72503 303624517      614516        s-trans-Propenoic acid
  468367.4408  0.2169 -5.1150 3 1001.5274125  72503 303624518      614517        s-trans-Propenoic acid
  468417.8086  0.0546 -4.2110 3  678.3711123  72503 303612635      602634        s-trans-Propenoic acid
  468417.8086  0.0546 -4.2110 3  678.3711123  72503 303612636      602635        s-trans-Propenoic acid
  468504.1444  0.1075 -5.5706 3  890.7213169  72503 30384 678      84 579        s-trans-Propenoic acid
  468504.1444  0.1075 -5.5706 3  890.7213169  72503 30384 778      84 679        s-trans-Propenoic acid
  468530.7953  0.0219 -4.0243 3  602.7230121  72503 303602041      592040        s-trans-Propenoic acid
  468585.4813  0.2065 -5.0513 3  981.1010125  72503 303624418      614417        s-trans-Propenoic acid
  468585.4813  0.2065 -5.0513 3  981.1010125  72503 303624419      614418        s-trans-Propenoic acid
  468608.0423  0.0218 -4.0242 3  602.7260121  72503 303602040      592039        s-trans-Propenoic acid
  468712.1821  0.2271 -5.3125 3  918.0956137  72503 303683533      683434        s-trans-Propenoic acid
  468712.1821  0.2271 -5.3125 3  918.0956137  72503 303683534      683435        s-trans-Propenoic acid
  468791.1664  0.0060 -4.6074 3  286.8916 81  72503 303401228      391129        s-trans-Propenoic acid
  468807.8986  0.0047 -4.3526 3  276.6351 77  72503 303381424      371325        s-trans-Propenoic acid
  468813.5299  0.1963 -4.9899 3  961.1390125  72503 303624319      614318        s-trans-Propenoic acid
  468813.5299  0.1963 -4.9899 3  961.1390125  72503 303624320      614319        s-trans-Propenoic acid
  468813.6332  0.0050 -5.4623 3  188.6264 63  72503 30331 923      30 724        s-trans-Propenoic acid
  468884.9758  0.0140 -4.1267 3  234.7842 61  72503 303301812      291713        s-trans-Propenoic acid
  468884.9758  0.0140 -4.1267 3  234.7842 61  72503 303301813      291712        s-trans-Propenoic acid
  468930.3802  0.0042 -4.4694 3  291.5680 81  72503 303401327      391228        s-trans-Propenoic acid
  468941.8689  0.2083 -5.4062 3  746.4336139  72503 303691851      681950        s-trans-Propenoic acid
  468956.8870  0.0381 -4.9344 3  606.0187125  72503 303621547      611646        s-trans-Propenoic acid
  468974.3984  0.0112 -4.7967 3  583.3948123  72503 303611447      601546        s-trans-Propenoic acid
  469052.7163  0.1864 -4.9308 3  941.6421125  72503 303624220      614219        s-trans-Propenoic acid
  469052.7163  0.1864 -4.9308 3  941.6421125  72503 303624221      614220        s-trans-Propenoic acid
  469056.2653  0.1141 -5.6964 3 1035.6019179  72503 30389 980      89 881        s-trans-Propenoic acid
  469056.2653  0.1141 -5.6964 3 1035.6019179  72503 303891080      89 981        s-trans-Propenoic acid
  469228.0656  0.2185 -5.2874 3  900.8027135  72503 303673532      673433        s-trans-Propenoic acid
  469228.0656  0.2185 -5.2874 3  900.8027135  72503 303673533      673434        s-trans-Propenoic acid
  469304.3180  0.1767 -4.8737 3  922.6112125  72503 303624121      614120        s-trans-Propenoic acid
  469304.3180  0.1767 -4.8737 3  922.6112125  72503 303624122      614121        s-trans-Propenoic acid
  469346.0710  0.0487 -4.1784 3  667.0155123  72503 303612537      602536        s-trans-Propenoic acid
  469346.0719  0.0487 -4.1784 3  667.0155123  72503 303612536      602535        s-trans-Propenoic acid
  469371.8062  0.1082 -5.5646 3  804.6709163  72503 30381 477      81 378        s-trans-Propenoic acid
  469371.8062  0.1082 -5.5646 3  804.6709163  72503 30381 577      81 478        s-trans-Propenoic acid
  469569.7848  0.1672 -4.8186 3  904.0469125  72503 303624022      614021        s-trans-Propenoic acid
  469569.7848  0.1672 -4.8186 3  904.0469125  72503 303624023      614022        s-trans-Propenoic acid
  469622.1651  0.0309 -3.9712 3  640.2666147  72503 30373 271      72 270        s-trans-Propenoic acid
  469622.1651  0.0309 -4.3816 3  640.2666147  72503 30373 271      72 370        s-trans-Propenoic acid
  469622.1651  0.0309 -4.3816 3  640.2666147  72503 30373 371      72 270        s-trans-Propenoic acid
  469622.1651  0.0309 -3.9712 3  640.2666147  72503 30373 371      72 370        s-trans-Propenoic acid
  469622.7414  0.0272 -3.9764 3  638.7139145  72503 30372 369      71 368        s-trans-Propenoic acid
  469622.7414  0.0272 -4.4016 3  638.7139145  72503 30372 369      71 468        s-trans-Propenoic acid
  469622.7414  0.0272 -4.4016 3  638.7139145  72503 30372 469      71 368        s-trans-Propenoic acid
  469622.7414  0.0272 -3.9764 3  638.7139145  72503 30372 469      71 468        s-trans-Propenoic acid
  469625.3717  0.1122 -5.6907 3  721.6942157  72503 30378 276      78 177        s-trans-Propenoic acid
  469625.3717  0.1122 -5.6907 3  721.6942157  72503 30378 376      78 277        s-trans-Propenoic acid
  469625.7395  0.0366 -3.9651 3  641.3001149  72503 30374 173      73 172        s-trans-Propenoic acid
  469625.7395  0.0366 -4.3618 3  641.3001149  72503 30374 173      73 272        s-trans-Propenoic acid
  469625.7395  0.0366 -4.3618 3  641.3001149  72503 30374 273      73 172        s-trans-Propenoic acid
  469625.7395  0.0366 -3.9651 3  641.3001149  72503 30374 273      73 272        s-trans-Propenoic acid
  469630.1070  0.0447 -3.9579 3  641.8200151  72503 30375 075      74 074        s-trans-Propenoic acid
  469630.1070  0.0447 -4.3420 3  641.8200151  72503 30375 075      74 174        s-trans-Propenoic acid
  469630.1070  0.0447 -4.3420 3  641.8200151  72503 30375 175      74 074        s-trans-Propenoic acid
  469630.1070  0.0447 -3.9579 3  641.8200151  72503 30375 175      74 174        s-trans-Propenoic acid
  469631.9425  0.0248 -3.9805 3  636.6355143  72503 30371 467      70 466        s-trans-Propenoic acid
  469631.9425  0.0248 -4.4219 3  636.6355143  72503 30371 467      70 566        s-trans-Propenoic acid
  469631.9425  0.0248 -4.4219 3  636.6355143  72503 30371 567      70 466        s-trans-Propenoic acid
  469631.9425  0.0248 -3.9805 3  636.6355143  72503 30371 567      70 566        s-trans-Propenoic acid
  469655.8140  0.0235 -3.9836 3  634.0235141  72503 30370 565      69 564        s-trans-Propenoic acid
  469655.8140  0.0235 -4.4429 3  634.0235141  72503 30370 565      69 664        s-trans-Propenoic acid
  469655.8140  0.0235 -4.4429 3  634.0235141  72503 30370 665      69 564        s-trans-Propenoic acid
  469655.8140  0.0235 -3.9836 3  634.0235141  72503 30370 665      69 664        s-trans-Propenoic acid
  469702.6636  0.0225 -3.9856 3  630.8681139  72503 30369 663      68 662        s-trans-Propenoic acid
  469702.6636  0.0225 -4.4646 3  630.8681139  72503 30369 663      68 762        s-trans-Propenoic acid
  469702.6636  0.0225 -4.4646 3  630.8681139  72503 30369 763      68 662        s-trans-Propenoic acid
  469702.6636  0.0225 -3.9856 3  630.8681139  72503 30369 763      68 762        s-trans-Propenoic acid
  469721.6827  0.2107 -5.2632 3  883.7712133  72503 303663531      663432        s-trans-Propenoic acid
  469721.6827  0.2107 -5.2632 3  883.7712133  72503 303663532      663433        s-trans-Propenoic acid
  469768.1618  0.0106 -4.1671 3  242.7660 65  72503 303321716      311615        s-trans-Propenoic acid
  469768.1623  0.0106 -4.1671 3  242.7660 65  72503 303321715      311616        s-trans-Propenoic acid
  469776.2930  0.0825 -5.0884 3  645.5142129  72503 303641648      631747        s-trans-Propenoic acid
  469784.1454  0.0218 -3.9864 3  627.1571137  72503 30368 761      67 760        s-trans-Propenoic acid
  469784.1454  0.0218 -4.4876 3  627.1571137  72503 30368 761      67 860        s-trans-Propenoic acid
  469784.1454  0.0218 -4.4876 3  627.1571137  72503 30368 861      67 760        s-trans-Propenoic acid
  469784.1454  0.0218 -3.9864 3  627.1571137  72503 30368 861      67 860        s-trans-Propenoic acid
  469850.7683  0.1579 -4.7653 3  885.9502125  72503 303623923      613922        s-trans-Propenoic acid
  469850.7683  0.1579 -4.7653 3  885.9502125  72503 303623924      613923        s-trans-Propenoic acid
  469917.0353  0.0211 -4.5122 3  622.8750135  72503 30367 859      66 958        s-trans-Propenoic acid
  469917.0354  0.0211 -3.9860 3  622.8750135  72503 30367 859      66 858        s-trans-Propenoic acid
  469917.0354  0.0211 -3.9860 3  622.8750135  72503 30367 959      66 958        s-trans-Propenoic acid
  469917.0355  0.0211 -4.5122 3  622.8750135  72503 30367 959      66 858        s-trans-Propenoic acid
  470071.3671  0.0044 -5.6004 3  166.4582 55  72503 303271117      26 918        s-trans-Propenoic acid
  470126.2969  0.0204 -4.5391 3  618.0021133  72503 30366 957      651056        s-trans-Propenoic acid
  470126.2987  0.0204 -3.9842 3  618.0021133  72503 303661057      651056        s-trans-Propenoic acid
  470126.3005  0.0204 -3.9842 3  618.0021133  72503 30366 957      65 956        s-trans-Propenoic acid
  470126.3023  0.0204 -4.5391 3  618.0021133  72503 303661057      65 956        s-trans-Propenoic acid
  470140.8459  0.0059 -4.2744 3  263.6031 73  72503 303361522      351421        s-trans-Propenoic acid
  470149.1586  0.1489 -4.7139 3  868.3222125  72503 303623824      613823        s-trans-Propenoic acid
  470149.1586  0.1489 -4.7139 3  868.3222125  72503 303623825      613824        s-trans-Propenoic acid
  470149.9808  0.0059 -4.2744 3  263.6028 73  72503 303361521      351422        s-trans-Propenoic acid
  470193.8140  0.2036 -5.2399 3  867.0006131  72503 303653530      653431        s-trans-Propenoic acid
  470193.8140  0.2036 -5.2399 3  867.0006131  72503 303653531      653432        s-trans-Propenoic acid
  470296.0690  0.0079 -4.2151 3  252.3500 69  72503 303341619      331518        s-trans-Propenoic acid
  470296.1662  0.0079 -4.2151 3  252.3500 69  72503 303341618      331519        s-trans-Propenoic acid
  470413.1431  0.0431 -4.1471 3  656.1790123  72503 303612438      602437        s-trans-Propenoic acid
  470413.1558  0.0431 -4.1471 3  656.1790123  72503 303612437      602436        s-trans-Propenoic acid
  470450.6887  0.0195 -4.5691 3  612.5116131  72503 303651055      641154        s-trans-Propenoic acid
  470450.7466  0.0195 -3.9810 3  612.5116131  72503 303651155      641154        s-trans-Propenoic acid
  470450.7989  0.0195 -3.9810 3  612.5116131  72503 303651055      641054        s-trans-Propenoic acid
  470450.8568  0.0195 -4.5691 3  612.5116131  72503 303651155      641054        s-trans-Propenoic acid
  470467.1283  0.1401 -4.6642 3  851.1640125  72503 303623725      613724        s-trans-Propenoic acid
  470467.1283  0.1401 -4.6642 3  851.1640125  72503 303623726      613725        s-trans-Propenoic acid
  470645.2134  0.1972 -5.2176 3  850.4908129  72503 303643529      643430        s-trans-Propenoic acid
  470645.2134  0.1972 -5.2176 3  850.4908129  72503 303643530      643431        s-trans-Propenoic acid
  470807.1875  0.1315 -4.6162 3  834.4769125  72503 303623626      613625        s-trans-Propenoic acid
  470807.1875  0.1315 -4.6162 3  834.4769125  72503 303623627      613626        s-trans-Propenoic acid
  470933.1281  0.1123 -5.6117 3  944.5019173  72503 30386 779      86 680        s-trans-Propenoic acid
  470933.1281  0.1123 -5.6117 3  944.5019173  72503 30386 879      86 780        s-trans-Propenoic acid
  470952.6140  0.0186 -4.6040 3  606.3670129  72503 303641153      631252        s-trans-Propenoic acid
  470954.0862  0.0186 -3.9760 3  606.3670129  72503 303641253      631252        s-trans-Propenoic acid
  470955.3232  0.0186 -3.9760 3  606.3669129  72503 303641153      631152        s-trans-Propenoic acid
  470956.7954  0.0186 -4.6040 3  606.3669129  72503 303641253      631152        s-trans-Propenoic acid
  470969.3465  0.1210 -5.7664 3 1092.7103183  72503 303911081      91 982        s-trans-Propenoic acid
  470969.3465  0.1210 -5.7664 3 1092.7103183  72503 303911181      911082        s-trans-Propenoic acid
  470982.3922  0.0181 -3.9979 3  594.7034121  72503 303601942      591941        s-trans-Propenoic acid
  471076.6093  0.1915 -5.1963 3  834.2413127  72503 303633528      633429        s-trans-Propenoic acid
  471076.6093  0.1915 -5.1963 3  834.2413127  72503 303633529      633430        s-trans-Propenoic acid
  471157.8226  0.5250 -5.8781 3 1267.6223171  72503 303853649      853550        s-trans-Propenoic acid
  471157.8226  0.5250 -5.8781 3 1267.6223171  72503 303853650      853551        s-trans-Propenoic acid
  471172.2521  0.1231 -4.5699 3  818.2623125  72503 303623527      613526        s-trans-Propenoic acid
  471172.2521  0.1231 -4.5699 3  818.2623125  72503 303623528      613527        s-trans-Propenoic acid
  471488.7058  0.1863 -5.1760 3  818.2518125  72503 303623527      623428        s-trans-Propenoic acid
  471488.7058  0.1863 -5.1760 3  818.2518125  72503 303623528      623429        s-trans-Propenoic acid
  471533.8731  0.0180 -3.9969 3  594.7280121  72503 303601941      591940        s-trans-Propenoic acid
  471565.7307  0.1150 -4.5251 3  802.5220125  72503 303623428      613427        s-trans-Propenoic acid
  471565.7307  0.1150 -4.5251 3  802.5220125  72503 303623429      613428        s-trans-Propenoic acid
  471656.0526  0.0377 -4.1169 3  645.8740123  72503 303612339      602338        s-trans-Propenoic acid
  471656.2122  0.0377 -4.1169 3  645.8740123  72503 303612338      602337        s-trans-Propenoic acid
  471709.6075  0.0332 -4.0055 3  223.7649 47  72503 3032322 1      2221 2        s-trans-Propenoic acid
  471709.6075  0.0332 -4.0055 3  223.7649 47  72503 3032322 2      2221 1        s-trans-Propenoic acid
  471713.6707  0.0176 -4.6462 3  599.5152127  72503 303631251      621350        s-trans-Propenoic acid
  471743.3173  0.0177 -3.9690 3  599.5152127  72503 303631351      621350        s-trans-Propenoic acid
  471766.0648  0.0177 -3.9689 3  599.5134127  72503 303631251      621250        s-trans-Propenoic acid
  471795.7114  0.0178 -4.6460 3  599.5134127  72503 303631351      621250        s-trans-Propenoic acid
  471882.1844  0.1817 -5.1568 3  802.5220123  72503 303613526      613427        s-trans-Propenoic acid
  471882.1844  0.1817 -5.1568 3  802.5220123  72503 303613527      613428        s-trans-Propenoic acid
  471929.3354  0.0073 -5.2689 3  232.0793 71  72503 303351124      34 925        s-trans-Propenoic acid
  471991.6346  0.1071 -4.4818 3  787.2580125  72503 303623329      613328        s-trans-Propenoic acid
  471991.6346  0.1071 -4.4818 3  787.2580125  72503 303623330      613329        s-trans-Propenoic acid
  472113.4698  0.5000 -5.8396 3 1245.8617169  72503 303843648      843549        s-trans-Propenoic acid
  472113.4698  0.5000 -5.8396 3 1245.8617169  72503 303843649      843550        s-trans-Propenoic acid
  472118.8799  0.1122 -5.5712 3  856.4134167  72503 30383 578      83 479        s-trans-Propenoic acid
  472118.8799  0.1122 -5.5712 3  856.4134167  72503 30383 678      83 579        s-trans-Propenoic acid
  472219.5164  0.0048 -5.5623 3  173.6066 57  72503 303281117      27 918        s-trans-Propenoic acid
  472254.0718  0.0176 -3.9247 3  567.3705121  72503 303601446      591445        s-trans-Propenoic acid
  472257.7048  0.1777 -5.1386 3  787.0517121  72503 303603525      603426        s-trans-Propenoic acid
  472257.7048  0.1777 -5.1386 3  787.0517121  72503 303603526      603427        s-trans-Propenoic acid
  472340.5520  0.0050 -5.1597 3  188.5088 63  72503 30331 923      30 624        s-trans-Propenoic acid
  472454.7201  0.0994 -4.4401 3  772.4723125  72503 303623230      613229        s-trans-Propenoic acid
  472454.7201  0.0994 -4.4401 3  772.4723125  72503 303623231      613230        s-trans-Propenoic acid
  472481.1449  0.0154 -4.7021 3  591.8798125  72503 303621349      611448        s-trans-Propenoic acid
  472615.9058  0.1741 -5.1216 3  771.8406119  72503 303593524      593425        s-trans-Propenoic acid
  472615.9058  0.1741 -5.1216 3  771.8406119  72503 303593525      593426        s-trans-Propenoic acid
  472670.2086  0.1144 -5.6135 3  771.3781161  72503 30380 377      80 278        s-trans-Propenoic acid
  472670.2086  0.1144 -5.6135 3  771.3781161  72503 30380 477      80 378        s-trans-Propenoic acid
  472703.9956  0.1298 -5.8436 3 1151.1240187  72503 303931182      931083        s-trans-Propenoic acid
  472703.9956  0.1298 -5.8436 3 1151.1240187  72503 303931282      931183        s-trans-Propenoic acid
  472726.2768  0.0066 -5.2156 3  241.6221 73  72503 303361125      35 926        s-trans-Propenoic acid
  472941.8986  0.0166 -3.9594 3  591.8798125  72503 303621449      611448        s-trans-Propenoic acid
  472947.6648  0.0050 -5.4286 3  192.4563 63  72503 303311022      30 823        s-trans-Propenoic acid
  472949.8024  0.0274 -4.0320 3  226.1546 51  72503 3032521 4      2420 5        s-trans-Propenoic acid
  472949.8024  0.0274 -4.0320 3  226.1546 51  72503 3032521 5      2420 4        s-trans-Propenoic acid
  472957.4067  0.1711 -5.1058 3  756.8883117  72503 303583523      583424        s-trans-Propenoic acid
  472957.4067  0.1711 -5.1058 3  756.8883117  72503 303583524      583425        s-trans-Propenoic acid
  472960.6760  0.0919 -4.3998 3  758.1678125  72503 303623131      613130        s-trans-Propenoic acid
  472960.6760  0.0919 -4.3998 3  758.1678125  72503 303623132      613131        s-trans-Propenoic acid
  473032.0724  0.4761 -5.8018 3 1224.3683167  72503 303833647      833548        s-trans-Propenoic acid
  473032.0724  0.4761 -5.8018 3 1224.3683167  72503 303833648      833549        s-trans-Propenoic acid
  473115.7528  0.0076 -5.3236 3  222.7948 69  72503 303341123      33 924        s-trans-Propenoic acid
  473127.7986  0.0324 -4.0878 3  636.1175123  72503 303612240      602239        s-trans-Propenoic acid
  473129.5612  0.0324 -4.0878 3  636.1176123  72503 303612239      602238        s-trans-Propenoic acid
  473131.7938  0.0079 -5.1088 3  204.4727 67  72503 30333 825      32 726        s-trans-Propenoic acid
  473168.4773  0.0122 -3.9393 3  574.2211121  72503 303601645      591644        s-trans-Propenoic acid
  473199.6459  0.1177 -5.6648 3  999.6039177  72503 30388 880      88 781        s-trans-Propenoic acid
  473199.6459  0.1177 -5.6648 3  999.6039177  72503 30388 980      88 881        s-trans-Propenoic acid
  473255.0835  0.0172 -3.9587 3  591.8540125  72503 303621349      611348        s-trans-Propenoic acid
  473282.8079  0.1685 -5.0912 3  742.1946115  72503 303573522      573423        s-trans-Propenoic acid
  473282.8079  0.1685 -5.0912 3  742.1946115  72503 303573523      573424        s-trans-Propenoic acid
  473516.3726  0.0846 -4.3609 3  744.3476125  72503 303623032      613031        s-trans-Propenoic acid
  473516.3726  0.0846 -4.3609 3  744.3476125  72503 303623033      613032        s-trans-Propenoic acid
  473539.4265  0.0151 -3.9730 3  587.3447121  72503 303601843      591842        s-trans-Propenoic acid
  473592.6920  0.1662 -5.0778 3  727.7592113  72503 303563521      563422        s-trans-Propenoic acid
  473592.6920  0.1662 -5.0778 3  727.7592113  72503 303563522      563423        s-trans-Propenoic acid
  473715.8372  0.0186 -4.6997 3  591.8540125  72503 303621449      611348        s-trans-Propenoic acid
  473874.8900  0.0172 -3.8889 3  544.8055117  72503 303581642      571641        s-trans-Propenoic acid
  473887.6243  0.1644 -5.0659 3  713.5818111  72503 303553520      553421        s-trans-Propenoic acid
  473887.6243  0.1644 -5.0659 3  713.5818111  72503 303553521      553422        s-trans-Propenoic acid
  473914.9985  0.4534 -5.7647 3 1203.1416165  72503 303823646      823547        s-trans-Propenoic acid
  473914.9985  0.4534 -5.7647 3 1203.1416165  72503 303823647      823548        s-trans-Propenoic acid
  474130.2011  0.0775 -4.3234 3  731.0153125  72503 303622933      612932        s-trans-Propenoic acid
  474130.2011  0.0775 -4.3234 3  731.0153125  72503 303622934      612933        s-trans-Propenoic acid
  474162.3370  0.0222 -4.0608 3  230.0474 55  72503 3032720 7      2619 8        s-trans-Propenoic acid
  474162.3370  0.0222 -4.0608 3  230.0474 55  72503 3032720 8      2619 7        s-trans-Propenoic acid
  474168.1537  0.1628 -5.0554 3  699.6622109  72503 303543519      543420        s-trans-Propenoic acid
  474168.1537  0.1628 -5.0554 3  699.6622109  72503 303543520      543421        s-trans-Propenoic acid
  474194.8676  0.0148 -3.9477 3  583.3948123  72503 303611547      601546        s-trans-Propenoic acid
  474303.7974  0.3397 -5.8073 3 1221.7451127  72503 3036354 9      6254 8        s-trans-Propenoic acid
  474303.7974  0.3397 -5.8073 3 1221.7451127  72503 303635410      6254 9        s-trans-Propenoic acid
  474389.6886  0.0076 -5.4549 3  204.4307 67  72503 30333 825      32 626        s-trans-Propenoic acid
  474434.8132  0.1615 -5.0464 3  686.0001107  72503 303533518      533419        s-trans-Propenoic acid
  474434.8132  0.1615 -5.0464 3  686.0001107  72503 303533519      533420        s-trans-Propenoic acid
  474467.3836  0.0300 -4.7180 3  416.2145101  72503 303501437      491336        s-trans-Propenoic acid
  474471.8718  0.3265 -5.7138 3 1197.1672127  72503 303635310      6253 9        s-trans-Propenoic acid
  474471.8718  0.3265 -5.7138 3 1197.1672127  72503 303635311      625310        s-trans-Propenoic acid
  474644.1567  0.3136 -5.6256 3 1173.0496127  72503 303635211      625210        s-trans-Propenoic acid
  474644.1567  0.3136 -5.6256 3 1173.0496127  72503 303635212      625211        s-trans-Propenoic acid
  474688.1208  0.1606 -5.0391 3  672.5953105  72503 303523517      523418        s-trans-Propenoic acid
  474688.1208  0.1606 -5.0391 3  672.5953105  72503 303523518      523419        s-trans-Propenoic acid
  474700.1043  0.0050 -4.3685 3  286.5434 79  72503 303391426      381325        s-trans-Propenoic acid
  474712.5674  0.1169 -5.5984 3  909.4875171  72503 30385 679      85 580        s-trans-Propenoic acid
  474712.5674  0.1169 -5.5984 3  909.4875171  72503 30385 779      85 680        s-trans-Propenoic acid
  474763.5508  0.4318 -5.7285 3 1182.1810163  72503 303813645      813546        s-trans-Propenoic acid
  474763.5508  0.4318 -5.7285 3 1182.1810163  72503 303813646      813547        s-trans-Propenoic acid
  474812.5453  0.0707 -4.2873 3  718.1754125  72503 303622834      612833        s-trans-Propenoic acid
  474812.5453  0.0707 -4.2873 3  718.1754125  72503 303622835      612834        s-trans-Propenoic acid
  474821.1000  0.3009 -5.5420 3 1149.3927127  72503 303635112      625111        s-trans-Propenoic acid
  474821.1000  0.3009 -5.5420 3 1149.3927127  72503 303635113      625112        s-trans-Propenoic acid
  474860.8354  0.0099 -3.8751 3  540.7032117  72503 303581543      571542        s-trans-Propenoic acid
  474898.0152  0.0130 -3.9523 3  580.5993121  72503 303601744      591743        s-trans-Propenoic acid
  474905.0149  0.0091 -5.0121 3  225.7810 71  72503 30335 926      34 827        s-trans-Propenoic acid
  474905.0458  0.0275 -4.0597 3  626.9327123  72503 303612141      602140        s-trans-Propenoic acid
  474921.9310  0.0275 -4.0597 3  626.9333123  72503 303612140      602139        s-trans-Propenoic acid
  474922.9089  0.0189 -3.9283 3  565.5680119  72503 303591742      581741        s-trans-Propenoic acid
  474928.5798  0.1598 -5.0336 3  659.4476103  72503 303513516      513417        s-trans-Propenoic acid
  474928.5798  0.1598 -5.0336 3  659.4476103  72503 303513517      513418        s-trans-Propenoic acid
  474950.6655  0.0097 -4.8978 3  248.3552 75  72503 303371027      36 928        s-trans-Propenoic acid
  475003.1962  0.2884 -5.4624 3 1126.1969127  72503 303635013      625012        s-trans-Propenoic acid
  475003.1962  0.2884 -5.4624 3 1126.1969127  72503 303635014      625013        s-trans-Propenoic acid
  475029.8241  0.0051 -5.8337 3  145.3417 47  72503 303231211      221012        s-trans-Propenoic acid
  475037.4140  0.0051 -5.8337 3  145.3414 47  72503 303231212      221013        s-trans-Propenoic acid
  475114.8322  0.0074 -5.3735 3  213.7954 67  72503 303331122      32 923        s-trans-Propenoic acid
  475156.6796  0.1592 -5.0300 3  646.5566101  72503 303503515      503416        s-trans-Propenoic acid
  475156.6796  0.1592 -5.0300 3  646.5566101  72503 303503516      503417        s-trans-Propenoic acid
  475190.9925  0.2762 -5.3864 3 1103.4627127  72503 303634914      624913        s-trans-Propenoic acid
  475190.9925  0.2762 -5.3864 3 1103.4627127  72503 303634915      624914        s-trans-Propenoic acid
  475299.7250  0.1237 -5.7277 3 1056.0218181  72503 30390 981      90 882        s-trans-Propenoic acid
  475299.7250  0.1237 -5.7277 3 1056.0218181  72503 303901081      90 982        s-trans-Propenoic acid
  475314.0139  0.0177 -4.0927 3  235.4580 59  72503 303291910      281811        s-trans-Propenoic acid
  475314.0139  0.0177 -4.0927 3  235.4580 59  72503 303291911      281810        s-trans-Propenoic acid
  475348.4911  0.2880 -5.5449 3  809.2771145  72503 303721953      712052        s-trans-Propenoic acid
  475372.8957  0.1588 -5.0286 3  633.9222 99  72503 303493514      493415        s-trans-Propenoic acid
  475372.8957  0.1588 -5.0286 3  633.9222 99  72503 303493515      493416        s-trans-Propenoic acid
  475379.4192  0.0052 -5.5246 3  180.9945 59  72503 303291118      28 919        s-trans-Propenoic acid
  475385.0952  0.2642 -5.3136 3 1081.1904127  72503 303634815      624814        s-trans-Propenoic acid
  475385.0952  0.2642 -5.3136 3 1081.1904127  72503 303634816      624815        s-trans-Propenoic acid
  475567.9901  0.0049 -4.3672 3  286.5194 79  72503 303391425      381326        s-trans-Propenoic acid
  475569.2443  0.1178 -5.5904 3  822.4038165  72503 30382 478      82 379        s-trans-Propenoic acid
  475569.2443  0.1178 -5.5904 3  822.4038165  72503 30382 578      82 479        s-trans-Propenoic acid
  475576.4544  0.0641 -4.2524 3  705.8333125  72503 303622735      612734        s-trans-Propenoic acid
  475576.4544  0.0641 -4.2524 3  705.8333125  72503 303622736      612735        s-trans-Propenoic acid
  475577.6910  0.1586 -5.0295 3  621.5441 97  72503 303483513      483414        s-trans-Propenoic acid
  475577.6910  0.1586 -5.0295 3  621.5441 97  72503 303483514      483415        s-trans-Propenoic acid
  475578.9718  0.4113 -5.6930 3 1161.4862161  72503 303803644      803545        s-trans-Propenoic acid
  475578.9718  0.4113 -5.6930 3 1161.4862161  72503 303803645      803546        s-trans-Propenoic acid
  475586.1781  0.2525 -5.2437 3 1059.3806127  72503 303634716      624715        s-trans-Propenoic acid
  475586.1781  0.2525 -5.2437 3 1059.3806127  72503 303634717      624716        s-trans-Propenoic acid
  475771.5152  0.1585 -5.0330 3  609.4221 95  72503 303473512      473413        s-trans-Propenoic acid
  475771.5152  0.1585 -5.0330 3  609.4221 95  72503 303473513      473414        s-trans-Propenoic acid
  475789.6300  0.0053 -5.6448 3  149.7929 57  72503 30328 424      27 325        s-trans-Propenoic acid
  475794.9919  0.2410 -5.1765 3 1038.0338127  72503 303634617      624616        s-trans-Propenoic acid
  475794.9919  0.2410 -5.1765 3 1038.0338127  72503 303634618      624617        s-trans-Propenoic acid
  475820.6720  0.1222 -5.7143 3  738.3936159  72503 30379 277      79 178        s-trans-Propenoic acid
  475820.6720  0.1222 -5.7143 3  738.3936159  72503 30379 377      79 278        s-trans-Propenoic acid
  475825.2543  0.0336 -3.9867 3  655.9315149  72503 30374 272      73 271        s-trans-Propenoic acid
  475825.2543  0.0336 -4.3965 3  655.9315149  72503 30374 272      73 371        s-trans-Propenoic acid
  475825.2543  0.0336 -4.3965 3  655.9315149  72503 30374 372      73 271        s-trans-Propenoic acid
  475825.2543  0.0336 -3.9867 3  655.9315149  72503 30374 372      73 371        s-trans-Propenoic acid
  475825.4116  0.0295 -3.9917 3  654.3788147  72503 30373 370      72 369        s-trans-Propenoic acid
  475825.4116  0.0295 -4.4162 3  654.3788147  72503 30373 370      72 469        s-trans-Propenoic acid
  475825.4116  0.0295 -4.4162 3  654.3788147  72503 30373 470      72 369        s-trans-Propenoic acid
  475825.4116  0.0295 -3.9917 3  654.3788147  72503 30373 470      72 469        s-trans-Propenoic acid
  475829.0018  0.0397 -3.9806 3  656.9652151  72503 30375 174      74 173        s-trans-Propenoic acid
  475829.0018  0.0397 -4.3771 3  656.9652151  72503 30375 174      74 273        s-trans-Propenoic acid
  475829.0018  0.0397 -4.3771 3  656.9652151  72503 30375 274      74 173        s-trans-Propenoic acid
  475829.0018  0.0397 -3.9806 3  656.9652151  72503 30375 274      74 273        s-trans-Propenoic acid
  475831.8424  0.0054 -5.3064 3  172.6367 61  72503 30330 624      29 525        s-trans-Propenoic acid
  475833.4030  0.0483 -3.9736 3  657.4852153  72503 30376 076      75 075        s-trans-Propenoic acid
  475833.4030  0.0483 -4.3576 3  657.4852153  72503 30376 076      75 175        s-trans-Propenoic acid
  475833.4030  0.0483 -4.3576 3  657.4852153  72503 30376 176      75 075        s-trans-Propenoic acid
  475833.4030  0.0483 -3.9736 3  657.4852153  72503 30376 176      75 175        s-trans-Propenoic acid
  475833.7852  0.0269 -3.9958 3  652.3007145  72503 30372 468      71 467        s-trans-Propenoic acid
  475833.7852  0.0269 -4.4361 3  652.3007145  72503 30372 468      71 567        s-trans-Propenoic acid
  475833.7852  0.0269 -4.4361 3  652.3007145  72503 30372 568      71 467        s-trans-Propenoic acid
  475833.7852  0.0269 -3.9958 3  652.3007145  72503 30372 568      71 567        s-trans-Propenoic acid
  475856.1716  0.0254 -3.9987 3  649.6895143  72503 30371 566      70 565        s-trans-Propenoic acid
  475856.1716  0.0254 -4.4566 3  649.6895143  72503 30371 566      70 665        s-trans-Propenoic acid
  475856.1716  0.0254 -4.4566 3  649.6895143  72503 30371 666      70 565        s-trans-Propenoic acid
  475856.1716  0.0254 -3.9987 3  649.6895143  72503 30371 666      70 665        s-trans-Propenoic acid
  475876.8406  0.0045 -5.5581 3  173.4820 57  72503 303281118      27 919        s-trans-Propenoic acid
  475885.1647  0.0054 -5.6816 3  172.6349 61  72503 30330 624      29 425        s-trans-Propenoic acid
  475889.8877  0.0053 -5.6446 3  149.7929 57  72503 30328 524      27 225        s-trans-Propenoic acid
  475900.4916  0.0244 -4.0006 3  646.5357141  72503 30370 664      69 663        s-trans-Propenoic acid
  475900.4916  0.0244 -4.4779 3  646.5357141  72503 30370 664      69 763        s-trans-Propenoic acid
  475900.4916  0.0244 -4.4779 3  646.5357141  72503 30370 764      69 663        s-trans-Propenoic acid
  475900.4916  0.0244 -4.0006 3  646.5357141  72503 30370 764      69 763        s-trans-Propenoic acid
  475954.8061  0.1585 -5.0396 3  597.5560 93  72503 303463511      463412        s-trans-Propenoic acid
  475954.8061  0.1585 -5.0396 3  597.5560 93  72503 303463512      463413        s-trans-Propenoic acid
  475977.7855  0.0237 -4.0013 3  642.8274139  72503 30369 762      68 761        s-trans-Propenoic acid
  475977.7855  0.0237 -4.5002 3  642.8274139  72503 30369 762      68 861        s-trans-Propenoic acid
  475977.7855  0.0237 -4.5002 3  642.8274139  72503 30369 862      68 761        s-trans-Propenoic acid
  475977.7855  0.0237 -4.0013 3  642.8274139  72503 30369 862      68 861        s-trans-Propenoic acid
  476012.3754  0.2297 -5.1118 3 1017.1505127  72503 303634518      624517        s-trans-Propenoic acid
  476012.3754  0.2297 -5.1118 3 1017.1505127  72503 303634519      624518        s-trans-Propenoic acid
  476103.8266  0.0230 -4.0008 3  638.5498137  72503 30368 860      67 859        s-trans-Propenoic acid
  476103.8266  0.0230 -4.5241 3  638.5498137  72503 30368 860      67 959        s-trans-Propenoic acid
  476103.8266  0.0230 -4.5241 3  638.5498137  72503 30368 960      67 859        s-trans-Propenoic acid
  476103.8266  0.0230 -4.0008 3  638.5498137  72503 30368 960      67 959        s-trans-Propenoic acid
  476127.9893  0.1586 -5.0495 3  585.9456 91  72503 303453510      453411        s-trans-Propenoic acid
  476127.9893  0.1586 -5.0495 3  585.9456 91  72503 303453511      453412        s-trans-Propenoic acid
  476239.2680  0.2187 -5.0494 3  996.7313127  72503 303634419      624418        s-trans-Propenoic acid
  476239.2680  0.2187 -5.0494 3  996.7313127  72503 303634420      624419        s-trans-Propenoic acid
  476291.4789  0.1588 -5.0635 3  574.5906 89  72503 3034435 9      443410        s-trans-Propenoic acid
  476291.4789  0.1588 -5.0635 3  574.5906 89  72503 303443510      443411        s-trans-Propenoic acid
  476301.8721  0.0222 -4.5500 3  633.6838135  72503 30367 958      661057        s-trans-Propenoic acid
  476301.8731  0.0222 -3.9990 3  633.6838135  72503 303671058      661057        s-trans-Propenoic acid
  476301.8740  0.0222 -3.9990 3  633.6838135  72503 30367 958      66 957        s-trans-Propenoic acid
  476301.8749  0.0222 -4.5500 3  633.6838135  72503 303671058      66 957        s-trans-Propenoic acid
  476346.9326  0.0138 -4.1289 3  242.4073 63  72503 303311813      301714        s-trans-Propenoic acid
  476346.9326  0.0138 -4.1289 3  242.4073 63  72503 303311814      301713        s-trans-Propenoic acid
  476362.4476  0.3918 -5.6582 3 1141.0567159  72503 303793643      793544        s-trans-Propenoic acid
  476362.4476  0.3918 -5.6582 3 1141.0567159  72503 303793644      793545        s-trans-Propenoic acid
  476438.6343  0.0576 -4.2189 3  693.9958125  72503 303622637      612636        s-trans-Propenoic acid
  476438.6344  0.0576 -4.2189 3  693.9958125  72503 303622636      612635        s-trans-Propenoic acid
  476445.6777  0.1591 -5.0822 3  563.4909 87  72503 3034335 8      4334 9        s-trans-Propenoic acid
  476445.6777  0.1591 -5.0822 3  563.4909 87  72503 3034335 9      433410        s-trans-Propenoic acid
  476476.7254  0.2079 -4.9892 3  976.7769127  72503 303634320      624319        s-trans-Propenoic acid
  476476.7254  0.2079 -4.9892 3  976.7769127  72503 303634321      624320        s-trans-Propenoic acid
  476590.9776  0.1594 -5.1067 3  552.6463 85  72503 3034235 7      4234 8        s-trans-Propenoic acid
  476590.9776  0.1594 -5.1067 3  552.6463 85  72503 3034235 8      4234 9        s-trans-Propenoic acid
  476600.2666  0.0169 -3.9677 3  587.5082121  72503 303601842      591841        s-trans-Propenoic acid
  476607.6361  0.0213 -4.5789 3  628.2042133  72503 303661056      651155        s-trans-Propenoic acid
  476607.6663  0.0213 -3.9957 3  628.2042133  72503 303661156      651155        s-trans-Propenoic acid
  476607.6939  0.0213 -3.9957 3  628.2042133  72503 303661056      651055        s-trans-Propenoic acid
  476607.7242  0.0213 -4.5789 3  628.2042133  72503 303661156      651055        s-trans-Propenoic acid
  476681.3212  0.0058 -5.1730 3  251.3948 75  72503 303371126      36 927        s-trans-Propenoic acid
  476725.9379  0.1974 -4.9311 3  957.2881127  72503 303634221      624220        s-trans-Propenoic acid
  476725.9379  0.1974 -4.9311 3  957.2881127  72503 303634222      624221        s-trans-Propenoic acid
  476727.7596  0.1598 -5.1384 3  542.0565 83  72503 3034135 6      4134 7        s-trans-Propenoic acid
  476727.7596  0.1598 -5.1384 3  542.0565 83  72503 3034135 7      4134 8        s-trans-Propenoic acid
  476856.3941  0.1602 -5.1794 3  531.7214 81  72503 3034035 5      4034 6        s-trans-Propenoic acid
  476856.3941  0.1602 -5.1794 3  531.7214 81  72503 3034035 6      4034 7        s-trans-Propenoic acid
  476913.2211  0.0070 -5.4165 3  205.1043 65  72503 303321121      31 922        s-trans-Propenoic acid
  476977.2416  0.1607 -5.2329 3  521.6408 79  72503 3033935 4      3934 5        s-trans-Propenoic acid
  476977.2416  0.1607 -5.2329 3  521.6408 79  72503 3033935 5      3934 6        s-trans-Propenoic acid
  476988.2518  0.1871 -4.8750 3  938.2655127  72503 303634122      624121        s-trans-Propenoic acid
  476988.2518  0.1871 -4.8750 3  938.2655127  72503 303634123      624122        s-trans-Propenoic acid
  477027.2592  0.0113 -4.7848 3  599.2122125  72503 303621448      611547        s-trans-Propenoic acid
  477078.3177  0.0204 -4.6121 3  622.0764131  72503 303651154      641253        s-trans-Propenoic acid
  477079.1130  0.0204 -3.9907 3  622.0764131  72503 303651254      641253        s-trans-Propenoic acid
  477079.7898  0.0204 -3.9907 3  622.0763131  72503 303651154      641153        s-trans-Propenoic acid
  477080.5851  0.0204 -4.6121 3  622.0763131  72503 303651254      641153        s-trans-Propenoic acid
  477082.1515  0.0229 -4.0325 3  618.3515123  72503 303612042      602041        s-trans-Propenoic acid
  477090.6520  0.1612 -5.3046 3  511.8145 77  72503 3033835 3      3834 4        s-trans-Propenoic acid
  477090.6520  0.1612 -5.3046 3  511.8145 77  72503 3033835 4      3834 5        s-trans-Propenoic acid
  477114.0208  0.0187 -3.9416 3  583.1232123  72503 303611447      601446        s-trans-Propenoic acid
  477115.1123  0.3734 -5.6243 3 1120.8921157  72503 303783642      783543        s-trans-Propenoic acid
  477115.1123  0.3734 -5.6243 3 1120.8921157  72503 303783643      783544        s-trans-Propenoic acid
  477149.6281  0.1220 -5.6409 3  963.8881175  72503 30387 780      87 681        s-trans-Propenoic acid
  477149.6281  0.1220 -5.6409 3  963.8881175  72503 30387 880      87 781        s-trans-Propenoic acid
  477158.8315  0.0105 -4.1710 3  250.9261 67  72503 303331717      321616        s-trans-Propenoic acid
  477158.8331  0.0105 -4.1710 3  250.9261 67  72503 303331716      321617        s-trans-Propenoic acid
  477171.7335  0.0059 -4.2836 3  272.8852 75  72503 303371523      361422        s-trans-Propenoic acid
  477184.9828  0.0095 -4.7722 3  272.2063 79  72503 303391128      381029        s-trans-Propenoic acid
  477191.6907  0.0059 -4.2836 3  272.8846 75  72503 303371522      361423        s-trans-Propenoic acid
  477196.9657  0.1617 -5.4045 3  502.2423 75  72503 3033735 2      3734 3        s-trans-Propenoic acid
  477196.9657  0.1617 -5.4045 3  502.2423 75  72503 3033735 3      3734 4        s-trans-Propenoic acid
  477219.6412  0.0228 -4.0323 3  618.3571123  72503 303612041      602040        s-trans-Propenoic acid
  477229.0295  0.1308 -5.7989 3 1113.7505185  72503 303921082      92 983        s-trans-Propenoic acid
  477229.0295  0.1308 -5.7989 3 1113.7505185  72503 303921182      921083        s-trans-Propenoic acid
  477265.1960  0.1770 -4.8207 3  919.7101127  72503 303634023      624022        s-trans-Propenoic acid
  477265.1960  0.1770 -4.8207 3  919.7101127  72503 303634024      624023        s-trans-Propenoic acid
  477281.3063  0.0058 -5.4891 3  188.7018 61  72503 303301119      29 920        s-trans-Propenoic acid
  477296.5131  0.1622 -5.5559 3  492.9242 73  72503 3033635 1      3634 2        s-trans-Propenoic acid
  477296.5131  0.1622 -5.5559 3  492.9242 73  72503 3033635 2      3634 3        s-trans-Propenoic acid
  477389.6152  0.1627 -5.8326 3  483.8598 71  72503 3033535 0      3534 1        s-trans-Propenoic acid
  477389.6152  0.1627 -5.8326 3  483.8598 71  72503 3033535 1      3534 2        s-trans-Propenoic acid
  477420.9625  0.0514 -4.1866 3  682.6712125  72503 303622538      612537        s-trans-Propenoic acid
  477420.9645  0.0514 -4.1866 3  682.6712125  72503 303622537      612536        s-trans-Propenoic acid
  477558.5132  0.1672 -4.7683 3  901.6228127  72503 303633924      623923        s-trans-Propenoic acid
  477558.5132  0.1672 -4.7683 3  901.6228127  72503 303633925      623924        s-trans-Propenoic acid
  477561.7293  0.0078 -4.2211 3  261.0606 71  72503 303351620      341519        s-trans-Propenoic acid
  477561.9739  0.0078 -4.2211 3  261.0606 71  72503 303351619      341520        s-trans-Propenoic acid
  477610.2198  0.0051 -5.4496 3  161.0824 59  72503 30329 524      28 425        s-trans-Propenoic acid
  477615.9261  0.0051 -5.8340 3  161.0822 59  72503 30329 524      28 325        s-trans-Propenoic acid
  477720.1075  0.0045 -4.4964 3  302.0606 83  72503 303411328      401229        s-trans-Propenoic acid
  477768.8684  0.0064 -5.4540 3  196.7376 63  72503 303311120      30 921        s-trans-Propenoic acid
  477797.1297  0.0194 -4.6520 3  615.2508129  72503 303641252      631351        s-trans-Propenoic acid
  477813.7789  0.0194 -3.9837 3  615.2508129  72503 303641352      631351        s-trans-Propenoic acid
  477826.7763  0.0195 -3.9837 3  615.2498129  72503 303641252      631251        s-trans-Propenoic acid
  477838.0510  0.3561 -5.5912 3 1100.9920155  72503 303773641      773542        s-trans-Propenoic acid
  477838.0510  0.3561 -5.5912 3 1100.9920155  72503 303773642      773543        s-trans-Propenoic acid
  477843.4255  0.0195 -4.6519 3  615.2498129  72503 303641352      631251        s-trans-Propenoic acid
  477870.1991  0.1576 -4.7176 3  884.0047127  72503 303633825      623824        s-trans-Propenoic acid
  477870.1991  0.1576 -4.7176 3  884.0047127  72503 303633826      623825        s-trans-Propenoic acid
  478202.5494  0.1483 -4.6686 3  866.8571127  72503 303633726      623725        s-trans-Propenoic acid
  478202.5494  0.1483 -4.6686 3  866.8571127  72503 303633727      623726        s-trans-Propenoic acid
  478286.0602  0.0050 -5.8330 3  161.0824 59  72503 30329 624      28 425        s-trans-Propenoic acid
  478291.7665  0.0050 -5.4487 3  161.0822 59  72503 30329 624      28 325        s-trans-Propenoic acid
  478319.8034  0.1221 -5.5983 3  874.7662169  72503 30384 579      84 480        s-trans-Propenoic acid
  478319.8034  0.1221 -5.5983 3  874.7662169  72503 30384 679      84 580        s-trans-Propenoic acid
  478532.3034  0.3397 -5.5588 3 1081.3559153  72503 303763640      763541        s-trans-Propenoic acid
  478532.3034  0.3397 -5.5588 3 1081.3559153  72503 303763641      763542        s-trans-Propenoic acid
  478538.2558  0.0084 -5.3448 3  225.6598 71  72503 30335 926      34 727        s-trans-Propenoic acid
  478552.9050  0.0454 -4.1555 3  671.8702125  72503 303622439      612438        s-trans-Propenoic acid
  478552.9321  0.0454 -4.1555 3  671.8702125  72503 303622438      612437        s-trans-Propenoic acid
  478558.2191  0.1392 -4.6212 3  850.1813127  72503 303633627      623626        s-trans-Propenoic acid
  478558.2191  0.1392 -4.6212 3  850.1813127  72503 303633628      623627        s-trans-Propenoic acid
  478673.9505  0.0176 -4.7036 3  607.6555127  72503 303631350      621449        s-trans-Propenoic acid
  478865.0412  0.1245 -5.6384 3  788.6977163  72503 30381 378      81 279        s-trans-Propenoic acid
  478865.0412  0.1245 -5.6384 3  788.6977163  72503 30381 478      81 379        s-trans-Propenoic acid
  478940.2956  0.1303 -4.5754 3  833.9790127  72503 303633528      623527        s-trans-Propenoic acid
  478940.2956  0.1303 -4.5754 3  833.9790127  72503 303633529      623528        s-trans-Propenoic acid
  478945.3848  0.0184 -3.9743 3  607.6555127  72503 303631450      621449        s-trans-Propenoic acid
  478982.8180  0.1398 -5.8775 3 1172.7846189  72503 303941183      941084        s-trans-Propenoic acid
  478982.8180  0.1398 -5.8775 3 1172.7846189  72503 303941283      941184        s-trans-Propenoic acid
  479134.7042  0.0188 -3.9739 3  607.6401127  72503 303631350      621349        s-trans-Propenoic acid
  479198.8667  0.3242 -5.5273 3 1061.9836151  72503 303753639      753540        s-trans-Propenoic acid
  479198.8667  0.3242 -5.5273 3 1061.9836151  72503 303753640      753541        s-trans-Propenoic acid
  479249.1280  0.0329 -4.0053 3  229.5654 49  72503 3032422 2      2321 3        s-trans-Propenoic acid
  479249.1280  0.0329 -4.0053 3  229.5654 49  72503 3032422 3      2321 2        s-trans-Propenoic acid
  479352.3922  0.1217 -4.5311 3  818.2518127  72503 303633429      623428        s-trans-Propenoic acid
  479352.3922  0.1217 -4.5311 3  818.2518127  72503 303633430      623429        s-trans-Propenoic acid
  479358.7611  0.0050 -5.6773 3  172.6367 61  72503 30330 724      29 525        s-trans-Propenoic acid
  479406.1385  0.0197 -4.7022 3  607.6401127  72503 303631450      621349        s-trans-Propenoic acid
  479412.0835  0.0050 -5.3023 3  172.6349 61  72503 30330 724      29 425        s-trans-Propenoic acid
  479426.5413  0.1276 -5.6953 3 1019.6099179  72503 30389 881      89 782        s-trans-Propenoic acid
  479426.5413  0.1276 -5.6953 3 1019.6099179  72503 30389 981      89 882        s-trans-Propenoic acid
  479660.1352  0.0189 -4.0063 3  610.4137123  72503 303611943      601942        s-trans-Propenoic acid
  479798.7670  0.1133 -4.4883 3  803.0019127  72503 303633330      623329        s-trans-Propenoic acid
  479798.7670  0.1133 -4.4883 3  803.0019127  72503 303633331      623330        s-trans-Propenoic acid
  479838.6981  0.3098 -5.4965 3 1042.8746149  72503 303743638      743539        s-trans-Propenoic acid
  479838.6981  0.3098 -5.4965 3 1042.8746149  72503 303743639      743540        s-trans-Propenoic acid
  479875.5333  0.0396 -4.1256 3  661.6067125  72503 303622340      612339        s-trans-Propenoic acid
  479875.8588  0.0396 -4.1256 3  661.6068125  72503 303622339      612338        s-trans-Propenoic acid
  480025.5994  0.3836 -5.6878 3  874.8415151  72503 303752055      742154        s-trans-Propenoic acid
  480087.8102  0.0406 -4.7779 3  551.7709119  72503 303591545      581444        s-trans-Propenoic acid
  480098.8456  0.0138 -3.9521 3  590.0043123  72503 303611646      601645        s-trans-Propenoic acid
  480284.4779  0.1051 -4.4470 3  788.2317127  72503 303633231      623230        s-trans-Propenoic acid
  480284.4779  0.1051 -4.4470 3  788.2317127  72503 303633232      623231        s-trans-Propenoic acid
  480315.2125  0.0167 -3.9625 3  599.2122125  72503 303621548      611547        s-trans-Propenoic acid
  480393.6942  0.0358 -4.7735 3  567.3705121  72503 303601546      591445        s-trans-Propenoic acid
  480396.5129  0.0051 -5.5526 3  184.4313 63  72503 30331 824      30 625        s-trans-Propenoic acid
  480452.7175  0.2962 -5.4666 3 1024.0285147  72503 303733637      733538        s-trans-Propenoic acid
  480452.7175  0.2962 -5.4666 3 1024.0285147  72503 303733638      733539        s-trans-Propenoic acid
  480483.1314  0.0271 -4.0322 3  232.4685 53  72503 3032621 5      2520 6        s-trans-Propenoic acid
  480483.1314  0.0271 -4.0322 3  232.4685 53  72503 3032621 6      2520 5        s-trans-Propenoic acid
  480578.9668  0.0189 -4.0047 3  610.4567123  72503 303611942      601941        s-trans-Propenoic acid
  480717.1350  0.0053 -4.3861 3  296.7286 81  72503 303401427      391326        s-trans-Propenoic acid
  480777.9864  0.0051 -5.1938 3  184.4186 63  72503 30331 824      30 525        s-trans-Propenoic acid
  480815.5857  0.0971 -4.4071 3  773.9441127  72503 303633132      623131        s-trans-Propenoic acid
  480815.5857  0.0971 -4.4071 3  773.9441127  72503 303633133      623132        s-trans-Propenoic acid
  480868.2728  0.0121 -3.8907 3  556.5428119  72503 303591544      581543        s-trans-Propenoic acid
  480918.9917  0.1270 -5.6269 3  928.4602173  72503 30386 680      86 581        s-trans-Propenoic acid
  480918.9917  0.1270 -5.6269 3  928.4602173  72503 30386 780      86 681        s-trans-Propenoic acid
  481041.8098  0.2836 -5.4376 3 1005.4451145  72503 303723636      723537        s-trans-Propenoic acid
  481041.8098  0.2836 -5.4376 3 1005.4451145  72503 303723637      723538        s-trans-Propenoic acid
  481314.0436  0.0266 -4.9023 3  622.2561127  72503 303631548      621647        s-trans-Propenoic acid
  481399.4279  0.0894 -4.3686 3  760.1424127  72503 303633033      623032        s-trans-Propenoic acid
  481399.4279  0.0894 -4.3686 3  760.1424127  72503 303633034      623033        s-trans-Propenoic acid
  481448.0614  0.0340 -4.0967 3  651.8994125  72503 303622241      612240        s-trans-Propenoic acid
  481451.4900  0.0340 -4.0967 3  651.8995125  72503 303622240      612239        s-trans-Propenoic acid
  481539.4765  0.1338 -5.7595 3 1076.6479183  72503 30391 982      91 883        s-trans-Propenoic acid
  481539.4765  0.1338 -5.7595 3 1076.6479183  72503 303911082      91 983        s-trans-Propenoic acid
  481606.8268  0.2718 -5.4093 3  987.1238143  72503 303713635      713536        s-trans-Propenoic acid
  481606.8268  0.2718 -5.4093 3  987.1238143  72503 303713636      713537        s-trans-Propenoic acid
  481681.7383  0.0219 -4.0617 3  236.8786 57  72503 3032820 8      2719 9        s-trans-Propenoic acid
  481681.7383  0.0219 -4.0617 3  236.8786 57  72503 3032820 9      2719 8        s-trans-Propenoic acid
  481703.6892  0.0047 -5.5183 3  180.7781 59  72503 303291119      28 920        s-trans-Propenoic acid
  481705.2734  0.0050 -5.7789 3  151.2414 49  72503 303241212      231013        s-trans-Propenoic acid
  481719.8649  0.3737 -5.8786 3 1262.5986129  72503 3036455 9      6355 8        s-trans-Propenoic acid
  481719.8649  0.3737 -5.8786 3 1262.5986129  72503 303645510      6355 9        s-trans-Propenoic acid
  481723.8854  0.0050 -5.7789 3  151.2408 49  72503 303241213      231014        s-trans-Propenoic acid
  481740.8939  0.0454 -4.7824 3  536.3181117  72503 303581544      571443        s-trans-Propenoic acid
  481765.3930  0.1281 -5.6167 3  840.3434167  72503 30383 479      83 380        s-trans-Propenoic acid
  481765.3930  0.1281 -5.6167 3  840.3434167  72503 30383 579      83 480        s-trans-Propenoic acid
  481889.6965  0.3595 -5.7841 3 1237.5662129  72503 303645410      6354 9        s-trans-Propenoic acid
  481889.6965  0.3595 -5.7841 3 1237.5662129  72503 303645411      635410        s-trans-Propenoic acid
  481974.0583  0.0269 -4.6913 3  402.8043 99  72503 303491436      481335        s-trans-Propenoic acid
  482015.1181  0.1328 -5.7385 3  755.2998161  72503 30380 278      80 179        s-trans-Propenoic acid
  482015.1181  0.1328 -5.7385 3  755.2998161  72503 30380 378      80 279        s-trans-Propenoic acid
  482027.4345  0.0320 -4.0077 3  670.2506149  72503 30374 371      73 370        s-trans-Propenoic acid
  482027.4345  0.0320 -4.4315 3  670.2506149  72503 30374 371      73 470        s-trans-Propenoic acid
  482027.4345  0.0320 -4.4315 3  670.2506149  72503 30374 471      73 370        s-trans-Propenoic acid
  482027.4345  0.0320 -4.0077 3  670.2506149  72503 30374 471      73 470        s-trans-Propenoic acid
  482027.6803  0.0364 -4.0028 3  671.8033151  72503 30375 273      74 272        s-trans-Propenoic acid
  482027.6803  0.0364 -4.4122 3  671.8033151  72503 30375 273      74 372        s-trans-Propenoic acid
  482027.6803  0.0364 -4.4122 3  671.8033151  72503 30375 373      74 272        s-trans-Propenoic acid
  482027.6803  0.0364 -4.0028 3  671.8033151  72503 30375 373      74 372        s-trans-Propenoic acid
  482031.5945  0.0430 -3.9969 3  672.8371153  72503 30376 175      75 174        s-trans-Propenoic acid
  482031.5945  0.0430 -4.3930 3  672.8371153  72503 30376 175      75 274        s-trans-Propenoic acid
  482031.5945  0.0430 -4.3930 3  672.8371153  72503 30376 275      75 174        s-trans-Propenoic acid
  482031.5945  0.0430 -3.9969 3  672.8371153  72503 30376 275      75 274        s-trans-Propenoic acid
  482035.0151  0.0292 -4.0117 3  668.1728147  72503 30373 469      72 468        s-trans-Propenoic acid
  482035.0151  0.0292 -4.4511 3  668.1728147  72503 30373 469      72 568        s-trans-Propenoic acid
  482035.0151  0.0292 -4.4511 3  668.1728147  72503 30373 569      72 468        s-trans-Propenoic acid
  482035.0151  0.0292 -4.0117 3  668.1728147  72503 30373 569      72 568        s-trans-Propenoic acid
  482036.0275  0.0523 -3.9900 3  673.3573155  72503 30377 077      76 076        s-trans-Propenoic acid
  482036.0275  0.0523 -4.3739 3  673.3573155  72503 30377 077      76 176        s-trans-Propenoic acid
  482036.0275  0.0523 -4.3739 3  673.3573155  72503 30377 177      76 076        s-trans-Propenoic acid
  482036.0275  0.0523 -3.9900 3  673.3573155  72503 30377 177      76 176        s-trans-Propenoic acid
  482044.9911  0.0819 -4.3315 3  746.8305127  72503 303632934      622933        s-trans-Propenoic acid
  482044.9911  0.0819 -4.3315 3  746.8305127  72503 303632935      622934        s-trans-Propenoic acid
  482055.9849  0.0275 -4.0145 3  665.5624145  72503 30372 567      71 566        s-trans-Propenoic acid
  482055.9849  0.0275 -4.4711 3  665.5624145  72503 30372 567      71 666        s-trans-Propenoic acid
  482055.9849  0.0275 -4.4711 3  665.5624145  72503 30372 667      71 566        s-trans-Propenoic acid
  482055.9849  0.0275 -4.0145 3  665.5624145  72503 30372 667      71 666        s-trans-Propenoic acid
  482063.5628  0.3455 -5.6949 3 1212.9939129  72503 303645311      635310        s-trans-Propenoic acid
  482063.5628  0.3455 -5.6949 3 1212.9939129  72503 303645312      635311        s-trans-Propenoic acid
  482097.9036  0.0265 -4.0163 3  662.4100143  72503 30371 665      70 664        s-trans-Propenoic acid
  482097.9036  0.0265 -4.4919 3  662.4100143  72503 30371 665      70 764        s-trans-Propenoic acid
  482097.9036  0.0265 -4.4919 3  662.4100143  72503 30371 765      70 664        s-trans-Propenoic acid
  482097.9036  0.0265 -4.0163 3  662.4100143  72503 30371 765      70 764        s-trans-Propenoic acid
  482106.3839  0.0159 -3.9820 3  603.1402123  72503 303611844      601843        s-trans-Propenoic acid
  482148.5894  0.2609 -5.3820 3  969.0645141  72503 303703634      703535        s-trans-Propenoic acid
  482148.5894  0.2609 -5.3820 3  969.0645141  72503 303703635      703536        s-trans-Propenoic acid
  482171.2438  0.0257 -4.0169 3  658.7043141  72503 30370 763      69 762        s-trans-Propenoic acid
  482171.2438  0.0257 -4.5136 3  658.7043141  72503 30370 763      69 862        s-trans-Propenoic acid
  482171.2438  0.0257 -4.5136 3  658.7043141  72503 30370 863      69 762        s-trans-Propenoic acid
  482171.2438  0.0257 -4.0169 3  658.7043141  72503 30370 863      69 862        s-trans-Propenoic acid
  482241.8911  0.3318 -5.6103 3 1188.8820129  72503 303645212      635211        s-trans-Propenoic acid
  482241.8911  0.3318 -5.6103 3 1188.8820129  72503 303645213      635212        s-trans-Propenoic acid
  482247.7284  0.0199 -3.9585 3  599.0381125  72503 303621448      611447        s-trans-Propenoic acid
  482290.8598  0.0249 -4.0163 3  654.4309139  72503 30369 861      68 860        s-trans-Propenoic acid
  482290.8598  0.0249 -4.5367 3  654.4309139  72503 30369 861      68 960        s-trans-Propenoic acid
  482290.8598  0.0249 -4.5367 3  654.4309139  72503 30369 961      68 860        s-trans-Propenoic acid
  482290.8598  0.0249 -4.0163 3  654.4309139  72503 30369 961      68 960        s-trans-Propenoic acid
  482327.8579  0.0051 -4.3837 3  296.6844 81  72503 303401426      391327        s-trans-Propenoic acid
  482334.4900  0.0319 -4.7702 3  583.1232123  72503 303611547      601446        s-trans-Propenoic acid
  482425.1519  0.3184 -5.5297 3 1165.2311129  72503 303645113      635112        s-trans-Propenoic acid
  482425.1519  0.3184 -5.5297 3 1165.2311129  72503 303645114      635113        s-trans-Propenoic acid
  482478.4634  0.0242 -4.5618 3  649.5715137  72503 30368 959      671058        s-trans-Propenoic acid
  482478.4639  0.0242 -4.0144 3  649.5715137  72503 303681059      671058        s-trans-Propenoic acid
  482478.4643  0.0242 -4.0144 3  649.5715137  72503 30368 959      67 958        s-trans-Propenoic acid
  482478.4648  0.0242 -4.5618 3  649.5715137  72503 303681059      67 958        s-trans-Propenoic acid
  482613.8646  0.3052 -5.4527 3 1142.0413129  72503 303645014      635013        s-trans-Propenoic acid
  482613.8646  0.3052 -5.4527 3 1142.0413129  72503 303645015      635014        s-trans-Propenoic acid
  482667.8889  0.2508 -5.3555 3  951.2667139  72503 303693633      693534        s-trans-Propenoic acid
  482667.8889  0.2508 -5.3555 3  951.2667139  72503 303693634      693535        s-trans-Propenoic acid
  482763.4340  0.0746 -4.2957 3  734.0134127  72503 303632835      622834        s-trans-Propenoic acid
  482763.4340  0.0746 -4.2957 3  734.0134127  72503 303632836      622835        s-trans-Propenoic acid
  482767.0409  0.0233 -4.5896 3  644.1021135  72503 303671057      661156        s-trans-Propenoic acid
  482767.0567  0.0233 -4.0110 3  644.1021135  72503 303671157      661156        s-trans-Propenoic acid
  482767.0712  0.0233 -4.0110 3  644.1021135  72503 303671057      661056        s-trans-Propenoic acid
  482767.0869  0.0233 -4.5896 3  644.1021135  72503 303671157      661056        s-trans-Propenoic acid
  482806.9786  0.0174 -4.0946 3  242.8118 61  72503 303301911      291812        s-trans-Propenoic acid
  482806.9786  0.0174 -4.0946 3  242.8118 61  72503 303301912      291811        s-trans-Propenoic acid
  482808.6040  0.2922 -5.3789 3 1119.3134129  72503 303644915      634914        s-trans-Propenoic acid
  482808.6040  0.2922 -5.3789 3 1119.3134129  72503 303644916      634915        s-trans-Propenoic acid
  482821.6502  0.0139 -3.9630 3  596.4402123  72503 303611745      601744        s-trans-Propenoic acid
  483007.8292  0.1295 -5.2108 3  703.7376135  72503 303671750      661849        s-trans-Propenoic acid
  483010.0073  0.2795 -5.3080 3 1097.0476129  72503 303644816      634815        s-trans-Propenoic acid
  483010.0073  0.2795 -5.3080 3 1097.0476129  72503 303644817      634816        s-trans-Propenoic acid
  483165.4893  0.2415 -5.3299 3  933.7301137  72503 303683632      683533        s-trans-Propenoic acid
  483165.4893  0.2415 -5.3299 3  933.7301137  72503 303683633      683534        s-trans-Propenoic acid
  483208.9815  0.0223 -4.6213 3  637.9900133  72503 303661155      651254        s-trans-Propenoic acid
  483209.4088  0.0223 -4.0060 3  637.9900133  72503 303661255      651254        s-trans-Propenoic acid
  483209.7768  0.0223 -4.0060 3  637.9900133  72503 303661155      651154        s-trans-Propenoic acid
  483210.2040  0.0223 -4.6213 3  637.9900133  72503 303661255      651154        s-trans-Propenoic acid
  483218.7827  0.2671 -5.2398 3 1075.2445129  72503 303644717      634716        s-trans-Propenoic acid
  483218.7827  0.2671 -5.2398 3 1075.2445129  72503 303644718      634717        s-trans-Propenoic acid
  483345.7135  0.4931 -5.8332 3  943.1276157  72503 303782157      772256        s-trans-Propenoic acid
  483354.7976  0.0287 -4.0688 3  642.7738125  72503 303622142      612141        s-trans-Propenoic acid
  483363.6742  0.1323 -5.6707 3  983.4806177  72503 30388 781      88 682        s-trans-Propenoic acid
  483363.6742  0.1323 -5.6707 3  983.4806177  72503 30388 881      88 782        s-trans-Propenoic acid
  483386.0112  0.0287 -4.0687 3  642.7750125  72503 303622141      612140        s-trans-Propenoic acid
  483435.7196  0.2549 -5.1740 3 1053.9046129  72503 303644618      634617        s-trans-Propenoic acid
  483435.7196  0.2549 -5.1740 3 1053.9046129  72503 303644619      634618        s-trans-Propenoic acid
  483484.2590  0.1412 -5.8321 3 1134.9967187  72503 303931083      93 984        s-trans-Propenoic acid
  483484.2590  0.1412 -5.8321 3 1134.9967187  72503 303931183      931084        s-trans-Propenoic acid
  483568.8390  0.0676 -4.2611 3  721.6969127  72503 303632736      622735        s-trans-Propenoic acid
  483568.8390  0.0676 -4.2611 3  721.6969127  72503 303632737      622736        s-trans-Propenoic acid
  483642.1283  0.2330 -5.3052 3  916.4545135  72503 303673631      673532        s-trans-Propenoic acid
  483642.1283  0.2330 -5.3052 3  916.4545135  72503 303673632      673533        s-trans-Propenoic acid
  483661.6999  0.2430 -5.1107 3 1033.0286129  72503 303644519      634518        s-trans-Propenoic acid
  483661.6999  0.2430 -5.1107 3 1033.0286129  72503 303644520      634519        s-trans-Propenoic acid
  483750.1238  0.0051 -5.4073 3  200.4556 65  72503 303321023      31 824        s-trans-Propenoic acid
  483750.8240  0.0162 -3.8949 3  560.6123119  72503 303591643      581642        s-trans-Propenoic acid
  483793.1110  0.0136 -4.1321 3  250.2910 65  72503 303321814      311715        s-trans-Propenoic acid
  483793.1110  0.0136 -4.1321 3  250.2910 65  72503 303321815      311714        s-trans-Propenoic acid
  483884.7937  0.0213 -4.6591 3  631.1890131  72503 303651253      641352        s-trans-Propenoic acid
  483894.0777  0.0213 -3.9991 3  631.1890131  72503 303651353      641352        s-trans-Propenoic acid
  483897.7121  0.2314 -5.0494 3 1012.6169129  72503 303644420      634419        s-trans-Propenoic acid
  483897.7121  0.2314 -5.0494 3 1012.6169129  72503 303644421      634420        s-trans-Propenoic acid
  483901.4430  0.0214 -3.9991 3  631.1884131  72503 303651253      641252        s-trans-Propenoic acid
  483910.7269  0.0214 -4.6590 3  631.1884131  72503 303651353      641252        s-trans-Propenoic acid
  484098.5189  0.2253 -5.2815 3  899.4394133  72503 303663630      663531        s-trans-Propenoic acid
  484098.5189  0.2253 -5.2815 3  899.4394133  72503 303663631      663532        s-trans-Propenoic acid
  484122.3669  0.0060 -4.2942 3  282.4411 77  72503 303381524      371423        s-trans-Propenoic acid
  484144.8673  0.2199 -4.9903 3  992.6705129  72503 303644321      634320        s-trans-Propenoic acid
  484144.8673  0.2199 -4.9903 3  992.6705129  72503 303644322      634321        s-trans-Propenoic acid
  484163.1494  0.0082 -5.2324 3  248.0479 75  72503 303371027      36 828        s-trans-Propenoic acid
  484164.7200  0.0060 -4.2942 3  282.4399 77  72503 303381523      371424        s-trans-Propenoic acid
  484327.2584  0.0139 -4.7781 3  615.2338127  72503 303631449      621548        s-trans-Propenoic acid
  484404.4188  0.2088 -4.9332 3  973.1899129  72503 303644222      634221        s-trans-Propenoic acid
  484404.4188  0.2088 -4.9332 3  973.1899129  72503 303644223      634222        s-trans-Propenoic acid
  484479.3292  0.0607 -4.2279 3  709.8881127  72503 303632638      622637        s-trans-Propenoic acid
  484479.3295  0.0607 -4.2279 3  709.8881127  72503 303632637      622636        s-trans-Propenoic acid
  484519.1310  0.1326 -5.6259 3  893.3256171  72503 30385 580      85 481        s-trans-Propenoic acid
  484519.1310  0.1326 -5.6259 3  893.3256171  72503 30385 680      85 581        s-trans-Propenoic acid
  484524.1660  0.0103 -4.1758 3  259.3496 69  72503 303341718      331617        s-trans-Propenoic acid
  484524.1705  0.0103 -4.1758 3  259.3496 69  72503 303341717      331618        s-trans-Propenoic acid
  484531.2287  0.0052 -5.4554 3  196.4449 65  72503 30332 924      31 725        s-trans-Propenoic acid
  484535.3509  0.2182 -5.2587 3  882.6846131  72503 303653629      653530        s-trans-Propenoic acid
  484535.3509  0.2182 -5.2587 3  882.6846131  72503 303653630      653531        s-trans-Propenoic acid
  484677.7847  0.1979 -4.8779 3  954.1761129  72503 303644123      634122        s-trans-Propenoic acid
  484677.7847  0.1979 -4.8779 3  954.1761129  72503 303644124      634123        s-trans-Propenoic acid
  484764.9816  0.0056 -5.1497 3  261.3706 77  72503 303381127      37 928        s-trans-Propenoic acid
  484785.5424  0.0078 -4.2283 3  270.0386 73  72503 303361621      351520        s-trans-Propenoic acid
  484786.1374  0.0078 -4.2283 3  270.0386 73  72503 303361620      351521        s-trans-Propenoic acid
  484796.5070  0.0197 -4.7070 3  623.6313129  72503 303641351      631450        s-trans-Propenoic acid
  484953.2914  0.2119 -5.2369 3  866.1898129  72503 303643628      643529        s-trans-Propenoic acid
  484953.2914  0.2119 -5.2369 3  866.1898129  72503 303643629      643530        s-trans-Propenoic acid
  484954.8722  0.0203 -3.9898 3  623.6313129  72503 303641451      631450        s-trans-Propenoic acid
  484966.5766  0.1872 -4.8244 3  935.6299129  72503 303644024      634023        s-trans-Propenoic acid
  484966.5766  0.1872 -4.8244 3  935.6299129  72503 303644025      634024        s-trans-Propenoic acid
  485037.4513  0.0081 -4.6565 3  297.3590 83  72503 303411229      401130        s-trans-Propenoic acid
  485058.8328  0.1353 -5.6640 3  806.2240165  72503 30382 379      82 280        s-trans-Propenoic acid
  485058.8328  0.1353 -5.6640 3  806.2240165  72503 30382 479      82 380        s-trans-Propenoic acid
  485067.9413  0.0206 -3.9896 3  623.6223129  72503 303641351      631350        s-trans-Propenoic acid
  485226.3065  0.0212 -4.7062 3  623.6223129  72503 303641451      631350        s-trans-Propenoic acid
  485272.6325  0.1768 -4.7727 3  917.5524129  72503 303643925      633924        s-trans-Propenoic acid
  485272.6325  0.1768 -4.7727 3  917.5524129  72503 303643926      633925        s-trans-Propenoic acid
  485352.9868  0.2062 -5.2161 3  849.9547127  72503 303633627      633528        s-trans-Propenoic acid
  485352.9868  0.2062 -5.2161 3  849.9547127  72503 303633628      633529        s-trans-Propenoic acid
  485508.5886  0.0494 -4.7852 3  521.0130115  72503 303571543      561442        s-trans-Propenoic acid
  485518.7950  0.0541 -4.1959 3  698.5963127  72503 303632539      622538        s-trans-Propenoic acid
  485518.7994  0.0541 -4.1959 3  698.5963127  72503 303632538      622537        s-trans-Propenoic acid
  485535.6817  0.0291 -4.7683 3  599.0381125  72503 303621548      611447        s-trans-Propenoic acid
  485541.8586  0.0390 -3.9803 3  233.7017 47  72503 3032323 0      2222 1        s-trans-Propenoic acid
  485541.8586  0.0390 -3.9803 3  233.7017 47  72503 3032323 1      2222 0        s-trans-Propenoic acid
  485598.0589  0.1667 -4.7227 3  899.9448129  72503 303643826      633825        s-trans-Propenoic acid
  485598.0589  0.1667 -4.7227 3  899.9448129  72503 303643827      633826        s-trans-Propenoic acid
  485650.4495  0.1381 -5.7264 3 1039.8223181  72503 30390 882      90 783        s-trans-Propenoic acid
  485650.4495  0.1381 -5.7264 3 1039.8223181  72503 30390 982      90 883        s-trans-Propenoic acid
  485684.9897  0.0239 -4.0417 3  634.2652125  72503 303622043      612042        s-trans-Propenoic acid
  485735.0633  0.2011 -5.1964 3  833.9790125  72503 303623626      623527        s-trans-Propenoic acid
  485735.0633  0.2011 -5.1964 3  833.9790125  72503 303623627      623528        s-trans-Propenoic acid
  485879.8388  0.0214 -3.9326 3  581.4098121  72503 303601743      591742        s-trans-Propenoic acid
  485925.0949  0.0238 -4.0413 3  634.2754125  72503 303622042      612041        s-trans-Propenoic acid
  485945.2809  0.1568 -4.6742 3  882.8082129  72503 303643727      633726        s-trans-Propenoic acid
  485945.2809  0.1568 -4.6742 3  882.8082129  72503 303643728      633727        s-trans-Propenoic acid
  485994.6902  0.0161 -3.9089 3  572.5828121  72503 303601545      591544        s-trans-Propenoic acid
  486100.1280  0.1966 -5.1778 3  818.2623123  72503 303613625      613526        s-trans-Propenoic acid
  486100.1280  0.1966 -5.1778 3  818.2623123  72503 303613626      613527        s-trans-Propenoic acid
  486258.6423  0.0058 -4.4066 3  307.2098 83  72503 303411428      401327        s-trans-Propenoic acid
  486317.1055  0.1471 -4.6274 3  866.1443129  72503 303643628      633627        s-trans-Propenoic acid
  486317.1055  0.1471 -4.6274 3  866.1443129  72503 303643629      633628        s-trans-Propenoic acid
  486365.9321  0.0188 -3.9780 3  615.2338127  72503 303631549      621548        s-trans-Propenoic acid
  486448.7695  0.1926 -5.1603 3  802.8046121  72503 303603624      603525        s-trans-Propenoic acid
  486448.7695  0.1926 -5.1603 3  802.8046121  72503 303603625      603526        s-trans-Propenoic acid
  486660.6639  0.0052 -5.1316 3  196.3739 65  72503 30332 924      31 625        s-trans-Propenoic acid
  486716.8009  0.1377 -4.5821 3  849.9547129  72503 303643529      633528        s-trans-Propenoic acid
  486716.8009  0.1377 -4.5821 3  849.9547129  72503 303643530      633529        s-trans-Propenoic acid
  486719.6827  0.0477 -4.1650 3  687.8331127  72503 303632440      622439        s-trans-Propenoic acid
  486719.7396  0.0477 -4.1650 3  687.8331127  72503 303632439      622438        s-trans-Propenoic acid
  486735.1754  0.0194 -3.9741 3  603.4059123  72503 303611843      601842        s-trans-Propenoic acid
  486781.5594  0.1892 -5.1439 3  787.6054119  72503 303593623      593524        s-trans-Propenoic acid
  486781.5594  0.1892 -5.1439 3  787.6054119  72503 303593624      593525        s-trans-Propenoic acid
  486786.6787  0.0325 -4.0056 3  235.6205 51  72503 3032522 3      2421 4        s-trans-Propenoic acid
  486786.6787  0.0325 -4.0056 3  235.6205 51  72503 3032522 4      2421 3        s-trans-Propenoic acid
  486787.2804  0.0157 -3.9662 3  606.0187125  72503 303621647      611646        s-trans-Propenoic acid
  486910.1362  0.0654 -5.0391 3  662.3595131  72503 303651649      641748        s-trans-Propenoic acid
  487099.0524  0.1862 -5.1288 3  772.6644117  72503 303583622      583523        s-trans-Propenoic acid
  487099.0524  0.1862 -5.1288 3  772.6644117  72503 303583623      583524        s-trans-Propenoic acid
  487123.4504  0.1377 -5.6559 3  947.6394175  72503 30387 681      87 582        s-trans-Propenoic acid
  487123.4504  0.1377 -5.6559 3  947.6394175  72503 30387 781      87 682        s-trans-Propenoic acid
  487148.1968  0.1286 -4.5383 3  834.2413129  72503 303643430      633429        s-trans-Propenoic acid
  487148.1968  0.1286 -4.5383 3  834.2413129  72503 303643431      633430        s-trans-Propenoic acid
  487357.0749  0.5175 -5.8534 3 1261.6098169  72503 303843747      843648        s-trans-Propenoic acid
  487357.0749  0.5175 -5.8534 3 1261.6098169  72503 303843748      843649        s-trans-Propenoic acid
  487401.7872  0.1837 -5.1150 3  757.9816115  72503 303573621      573522        s-trans-Propenoic acid
  487401.7872  0.1837 -5.1150 3  757.9816115  72503 303573622      573523        s-trans-Propenoic acid
  487615.2117  0.0212 -3.9755 3  615.1241127  72503 303631449      621448        s-trans-Propenoic acid
  487615.8130  0.1196 -4.4960 3  819.0063129  72503 303643331      633330        s-trans-Propenoic acid
  487615.8130  0.1196 -4.4960 3  819.0063129  72503 303643332      633331        s-trans-Propenoic acid
  487687.5420  0.0049 -5.4811 3  188.3436 61  72503 303301120      29 921        s-trans-Propenoic acid
  487690.2874  0.1815 -5.1026 3  743.5565113  72503 303563620      563521        s-trans-Propenoic acid
  487690.2874  0.1815 -5.1026 3  743.5565113  72503 303563621      563522        s-trans-Propenoic acid
  487775.6217  0.1447 -5.7919 3 1097.4801185  72503 30392 983      92 884        s-trans-Propenoic acid
  487775.6217  0.1447 -5.7919 3 1097.4801185  72503 303921083      92 984        s-trans-Propenoic acid
  487877.2535  0.0052 -4.5288 3  312.8229 85  72503 303421329      411230        s-trans-Propenoic acid
  487960.2607  0.1391 -5.6436 3  858.4896169  72503 30384 480      84 381        s-trans-Propenoic acid
  487960.2607  0.1391 -5.6436 3  858.4896169  72503 30384 580      84 481        s-trans-Propenoic acid
  487965.0618  0.1797 -5.0916 3  729.3890111  72503 303553619      553520        s-trans-Propenoic acid
  487965.0618  0.1797 -5.0916 3  729.3890111  72503 303553620      553521        s-trans-Propenoic acid
  488012.5785  0.0268 -4.0330 3  239.0381 55  72503 3032721 6      2620 7        s-trans-Propenoic acid
  488012.5785  0.0268 -4.0330 3  239.0381 55  72503 3032721 7      2620 6        s-trans-Propenoic acid
  488125.0278  0.1110 -4.4551 3  804.2523129  72503 303643232      633231        s-trans-Propenoic acid
  488125.0278  0.1110 -4.4551 3  804.2523129  72503 303643233      633232        s-trans-Propenoic acid
  488127.6489  0.0415 -4.1353 3  677.6137127  72503 303632341      622340        s-trans-Propenoic acid
  488128.3018  0.0415 -4.1353 3  677.6137127  72503 303632340      622339        s-trans-Propenoic acid
  488198.6035  0.4933 -5.8159 3 1240.1470167  72503 303833746      833647        s-trans-Propenoic acid
  488198.6035  0.4933 -5.8159 3 1240.1470167  72503 303833747      833648        s-trans-Propenoic acid
  488208.7057  0.1441 -5.7633 3  772.4128163  72503 30381 279      81 180        s-trans-Propenoic acid
  488208.7057  0.1441 -5.7633 3  772.4128163  72503 30381 379      81 280        s-trans-Propenoic acid
  488222.8129  0.0049 -5.7278 3  157.4103 51  72503 303251213      241014        s-trans-Propenoic acid
  488226.6050  0.1782 -5.0821 3  715.4787109  72503 303543618      543519        s-trans-Propenoic acid
  488226.6050  0.1782 -5.0821 3  715.4787109  72503 303543619      543520        s-trans-Propenoic acid
  488228.7998  0.0346 -4.0244 3  686.3293151  72503 30375 372      74 371        s-trans-Propenoic acid
  488228.7998  0.0346 -4.4475 3  686.3293151  72503 30375 372      74 471        s-trans-Propenoic acid
  488228.7998  0.0346 -4.4475 3  686.3293151  72503 30375 472      74 371        s-trans-Propenoic acid
  488228.7998  0.0346 -4.0244 3  686.3293151  72503 30375 472      74 471        s-trans-Propenoic acid
  488229.4337  0.0395 -4.0196 3  687.8820153  72503 30376 274      75 273        s-trans-Propenoic acid
  488229.4337  0.0395 -4.4285 3  687.8820153  72503 30376 274      75 373        s-trans-Propenoic acid
  488229.4337  0.0395 -4.4285 3  687.8820153  72503 30376 374      75 273        s-trans-Propenoic acid
  488229.4337  0.0395 -4.0196 3  687.8820153  72503 30376 374      75 373        s-trans-Propenoic acid
  488233.5088  0.0466 -4.0138 3  688.9160155  72503 30377 176      76 175        s-trans-Propenoic acid
  488233.5088  0.0466 -4.4097 3  688.9160155  72503 30377 176      76 275        s-trans-Propenoic acid
  488233.5088  0.0466 -4.4097 3  688.9160155  72503 30377 276      76 175        s-trans-Propenoic acid
  488233.5088  0.0466 -4.0138 3  688.9160155  72503 30377 276      76 275        s-trans-Propenoic acid
  488235.6199  0.0316 -4.0282 3  684.2518149  72503 30374 470      73 469        s-trans-Propenoic acid
  488235.6199  0.0316 -4.4667 3  684.2518149  72503 30374 470      73 569        s-trans-Propenoic acid
  488235.6199  0.0316 -4.4667 3  684.2518149  72503 30374 570      73 469        s-trans-Propenoic acid
  488235.6199  0.0316 -4.0282 3  684.2518149  72503 30374 570      73 569        s-trans-Propenoic acid
  488237.9717  0.0564 -4.0069 3  689.4363157  72503 30378 078      77 077        s-trans-Propenoic acid
  488237.9717  0.0564 -4.3908 3  689.4363157  72503 30378 078      77 177        s-trans-Propenoic acid
  488237.9717  0.0564 -4.3908 3  689.4363157  72503 30378 178      77 077        s-trans-Propenoic acid
  488237.9717  0.0564 -4.0069 3  689.4363157  72503 30378 178      77 177        s-trans-Propenoic acid
  488255.2369  0.0298 -4.0310 3  681.6420147  72503 30373 568      72 567        s-trans-Propenoic acid
  488255.2369  0.0298 -4.4863 3  681.6420147  72503 30373 568      72 667        s-trans-Propenoic acid
  488255.2369  0.0298 -4.4863 3  681.6420147  72503 30373 668      72 567        s-trans-Propenoic acid
  488255.2369  0.0298 -4.0310 3  681.6420147  72503 30373 668      72 667        s-trans-Propenoic acid
  488266.2458  0.0049 -5.7277 3  157.4088 51  72503 303251214      241015        s-trans-Propenoic acid
  488294.8735  0.0286 -4.0326 3  678.4910145  72503 30372 666      71 665        s-trans-Propenoic acid
  488294.8735  0.0286 -4.5065 3  678.4910145  72503 30372 666      71 765        s-trans-Propenoic acid
  488294.8735  0.0286 -4.5065 3  678.4910145  72503 30372 766      71 665        s-trans-Propenoic acid
  488294.8735  0.0286 -4.0326 3  678.4910145  72503 30372 766      71 765        s-trans-Propenoic acid
  488355.4143  0.0198 -4.0157 3  626.4134125  72503 303621944      611943        s-trans-Propenoic acid
  488364.4759  0.0278 -4.0331 3  674.7878143  72503 30371 764      70 763        s-trans-Propenoic acid
  488364.4759  0.0278 -4.5277 3  674.7878143  72503 30371 764      70 863        s-trans-Propenoic acid
  488364.4759  0.0278 -4.5277 3  674.7878143  72503 30371 864      70 763        s-trans-Propenoic acid
  488364.4759  0.0278 -4.0331 3  674.7878143  72503 30371 864      70 863        s-trans-Propenoic acid
  488475.3982  0.1770 -5.0743 3  701.8256107  72503 303533617      533518        s-trans-Propenoic acid
  488475.3982  0.1770 -5.0743 3  701.8256107  72503 303533618      533519        s-trans-Propenoic acid
  488478.0545  0.0270 -4.5501 3  670.5184141  72503 30370 862      69 961        s-trans-Propenoic acid
  488478.0546  0.0270 -4.0324 3  670.5184141  72503 30370 862      69 861        s-trans-Propenoic acid
  488478.0546  0.0270 -4.5501 3  670.5184141  72503 30370 962      69 861        s-trans-Propenoic acid
  488478.0546  0.0270 -4.0324 3  670.5184141  72503 30370 962      69 961        s-trans-Propenoic acid
  488655.9176  0.0262 -4.5744 3  665.6653139  72503 30369 960      681059        s-trans-Propenoic acid
  488655.9178  0.0262 -4.0305 3  665.6653139  72503 303691060      681059        s-trans-Propenoic acid
  488655.9180  0.0262 -4.0305 3  665.6653139  72503 30369 960      68 959        s-trans-Propenoic acid
  488655.9183  0.0262 -4.5744 3  665.6653139  72503 303691060      68 959        s-trans-Propenoic acid
  488661.7274  0.0231 -4.6557 3  389.6825 97  72503 303481435      471334        s-trans-Propenoic acid
  488682.2995  0.1025 -4.4156 3  789.9824129  72503 303643133      633132        s-trans-Propenoic acid
  488682.2995  0.1025 -4.4156 3  789.9824129  72503 303643134      633133        s-trans-Propenoic acid
  488711.9094  0.1760 -5.0683 3  688.4292105  72503 303523616      523517        s-trans-Propenoic acid
  488711.9094  0.1760 -5.0683 3  688.4292105  72503 303523617      523518        s-trans-Propenoic acid
  488928.6037  0.0254 -4.6011 3  660.2055137  72503 303681058      671157        s-trans-Propenoic acid
  488928.6118  0.0254 -4.0270 3  660.2055137  72503 303681158      671157        s-trans-Propenoic acid
  488928.6194  0.0254 -4.0270 3  660.2055137  72503 303681058      671057        s-trans-Propenoic acid
  488928.6276  0.0254 -4.6011 3  660.2055137  72503 303681158      671057        s-trans-Propenoic acid
  488936.5940  0.1753 -5.0643 3  675.2895103  72503 303513615      513516        s-trans-Propenoic acid
  488936.5940  0.1753 -5.0643 3  675.2895103  72503 303513616      513517        s-trans-Propenoic acid
  489008.2382  0.4703 -5.7793 3 1218.9497165  72503 303823745      823646        s-trans-Propenoic acid
  489008.2382  0.4703 -5.7793 3 1218.9497165  72503 303823746      823647        s-trans-Propenoic acid
  489149.8952  0.1747 -5.0623 3  662.4061101  72503 303503614      503515        s-trans-Propenoic acid
  489149.8952  0.1747 -5.0623 3  662.4061101  72503 303503615      503516        s-trans-Propenoic acid
  489164.8113  0.0054 -4.4024 3  307.1310 83  72503 303411427      401328        s-trans-Propenoic acid
  489194.3966  0.0217 -4.0632 3  243.9669 59  72503 3032920 9      281910        s-trans-Propenoic acid
  489194.3966  0.0217 -4.0632 3  243.9669 59  72503 303292010      2819 9        s-trans-Propenoic acid
  489295.4658  0.0944 -4.3774 3  776.2001129  72503 303643034      633033        s-trans-Propenoic acid
  489295.4658  0.0944 -4.3774 3  776.2001129  72503 303643035      633034        s-trans-Propenoic acid
  489302.7635  0.3950 -5.8561 3 1278.6671131  72503 303655510      6455 9        s-trans-Propenoic acid
  489302.7635  0.3950 -5.8561 3 1278.6671131  72503 303655511      645510        s-trans-Propenoic acid
  489344.1314  0.0244 -4.6315 3  654.1081135  72503 303671156      661255        s-trans-Propenoic acid
  489344.3598  0.0244 -4.0221 3  654.1081135  72503 303671256      661255        s-trans-Propenoic acid
  489344.5587  0.0244 -4.0221 3  654.1081135  72503 303671156      661155        s-trans-Propenoic acid
  489344.7871  0.0244 -4.6315 3  654.1081135  72503 303671256      661155        s-trans-Propenoic acid
  489352.2442  0.1744 -5.0628 3  649.7789 99  72503 303493613      493514        s-trans-Propenoic acid
  489352.2442  0.1744 -5.0628 3  649.7789 99  72503 303493614      493515        s-trans-Propenoic acid
  489478.2972  0.3800 -5.7659 3 1253.6403131  72503 303655411      645410        s-trans-Propenoic acid
  489478.2972  0.3800 -5.7659 3 1253.6403131  72503 303655412      645411        s-trans-Propenoic acid
  489544.0611  0.1742 -5.0658 3  637.4077 97  72503 303483612      483513        s-trans-Propenoic acid
  489544.0611  0.1742 -5.0658 3  637.4077 97  72503 303483613      483514        s-trans-Propenoic acid
  489575.3164  0.1433 -5.7010 3 1003.2795179  72503 30389 782      89 683        s-trans-Propenoic acid
  489575.3164  0.1433 -5.7010 3 1003.2795179  72503 30389 882      89 783        s-trans-Propenoic acid
  489653.8854  0.0275 -4.7680 3  615.1241127  72503 303631549      621448        s-trans-Propenoic acid
  489658.1054  0.3652 -5.6803 3 1229.0738131  72503 303655312      645311        s-trans-Propenoic acid
  489658.1054  0.3652 -5.6803 3 1229.0738131  72503 303655313      645312        s-trans-Propenoic acid
  489725.7544  0.1741 -5.0719 3  625.2921 95  72503 303473611      473512        s-trans-Propenoic acid
  489725.7544  0.1741 -5.0719 3  625.2921 95  72503 303473612      473513        s-trans-Propenoic acid
  489735.1686  0.1523 -5.8658 3 1156.4488189  72503 303941084      94 985        s-trans-Propenoic acid
  489735.1686  0.1523 -5.8658 3 1156.4488189  72503 303941184      941085        s-trans-Propenoic acid
  489787.0848  0.4484 -5.7433 3 1198.0174163  72503 303813744      813645        s-trans-Propenoic acid
  489787.0848  0.4484 -5.7433 3 1198.0174163  72503 303813745      813646        s-trans-Propenoic acid
  489808.8007  0.0356 -4.1065 3  667.9588127  72503 303632242      622241        s-trans-Propenoic acid
  489815.3580  0.0356 -4.1065 3  667.9590127  72503 303632241      622240        s-trans-Propenoic acid
  489842.6362  0.3507 -5.5987 3 1204.9679131  72503 303655213      645212        s-trans-Propenoic acid
  489842.6362  0.3507 -5.5987 3 1204.9679131  72503 303655214      645213        s-trans-Propenoic acid
  489850.6782  0.0200 -4.0132 3  626.4871125  72503 303621943      611942        s-trans-Propenoic acid
  489897.7222  0.1741 -5.0814 3  613.4322 93  72503 303463610      463511        s-trans-Propenoic acid
  489897.7222  0.1741 -5.0814 3  613.4322 93  72503 303463611      463512        s-trans-Propenoic acid
  489946.7269  0.0062 -5.1953 3  192.0329 65  72503 30332 725      31 626        s-trans-Propenoic acid
  489974.1555  0.0864 -4.3406 3  762.9098129  72503 303642935      632934        s-trans-Propenoic acid
  489974.1555  0.0864 -4.3406 3  762.9098129  72503 303642936      632935        s-trans-Propenoic acid
  489978.2703  0.0233 -4.6673 3  647.3299133  72503 303661254      651353        s-trans-Propenoic acid
  489983.4127  0.0234 -4.0152 3  647.3299133  72503 303661354      651353        s-trans-Propenoic acid
  489987.5543  0.0234 -4.0152 3  647.3296133  72503 303661254      651253        s-trans-Propenoic acid
  489992.6967  0.0234 -4.6673 3  647.3296133  72503 303661354      651253        s-trans-Propenoic acid
  490032.3837  0.3365 -5.5207 3 1181.3230131  72503 303655114      645113        s-trans-Propenoic acid
  490032.3837  0.3365 -5.5207 3 1181.3230131  72503 303655115      645114        s-trans-Propenoic acid
  490060.3519  0.1743 -5.0949 3  601.8275 91  72503 3034536 9      453510        s-trans-Propenoic acid
  490060.3519  0.1743 -5.0949 3  601.8275 91  72503 303453610      453511        s-trans-Propenoic acid
  490158.8652  0.0062 -5.5604 3  192.0258 65  72503 30332 725      31 526        s-trans-Propenoic acid
  490214.0204  0.1745 -5.1132 3  590.4780 89  72503 3034436 8      4435 9        s-trans-Propenoic acid
  490214.0204  0.1745 -5.1132 3  590.4780 89  72503 3034436 9      443510        s-trans-Propenoic acid
  490227.8930  0.3225 -5.4459 3 1158.1396131  72503 303655015      645014        s-trans-Propenoic acid
  490227.8930  0.3225 -5.4459 3 1158.1396131  72503 303655016      645015        s-trans-Propenoic acid
  490288.9109  0.0172 -4.0972 3  250.4245 63  72503 303311912      301813        s-trans-Propenoic acid
  490288.9109  0.0172 -4.0972 3  250.4245 63  72503 303311913      301812        s-trans-Propenoic acid
  490359.0950  0.1748 -5.1372 3  579.3834 87  72503 3034336 7      4335 8        s-trans-Propenoic acid
  490359.0950  0.1748 -5.1372 3  579.3834 87  72503 3034336 8      4335 9        s-trans-Propenoic acid
  490429.7677  0.3088 -5.3740 3 1135.4181131  72503 303654916      644915        s-trans-Propenoic acid
  490429.7677  0.3088 -5.3740 3 1135.4181131  72503 303654917      644916        s-trans-Propenoic acid
  490491.1540  0.0151 -3.9752 3  612.5454125  72503 303621746      611745        s-trans-Propenoic acid
  490495.9330  0.1751 -5.1685 3  568.5436 85  72503 3034236 6      4235 7        s-trans-Propenoic acid
  490495.9330  0.1751 -5.1685 3  568.5436 85  72503 3034236 7      4235 8        s-trans-Propenoic acid
  490528.8895  0.0202 -3.9286 3  588.7939123  72503 303611546      601545        s-trans-Propenoic acid
  490536.2019  0.4277 -5.7082 3 1177.3498161  72503 303803743      803644        s-trans-Propenoic acid
  490536.2019  0.4277 -5.7082 3 1177.3498161  72503 303803744      803645        s-trans-Propenoic acid
  490566.2939  0.0168 -3.9924 3  619.2216125  72503 303621845      611844        s-trans-Propenoic acid
  490624.8821  0.1755 -5.2090 3  557.9584 83  72503 3034136 5      4135 6        s-trans-Propenoic acid
  490624.8821  0.1755 -5.2090 3  557.9584 83  72503 3034136 6      4135 7        s-trans-Propenoic acid
  490638.6769  0.2954 -5.3047 3 1113.1590131  72503 303654817      644816        s-trans-Propenoic acid
  490638.6769  0.2954 -5.3047 3 1113.1590131  72503 303654818      644817        s-trans-Propenoic acid
  490716.8812  0.1438 -5.6542 3  912.0916173  72503 30386 581      86 482        s-trans-Propenoic acid
  490716.8812  0.1438 -5.6542 3  912.0916173  72503 30386 681      86 582        s-trans-Propenoic acid
  490730.3677  0.0787 -4.3051 3  750.1167129  72503 303642836      632835        s-trans-Propenoic acid
  490730.3677  0.0787 -4.3051 3  750.1167129  72503 303642837      632836        s-trans-Propenoic acid
  490746.2806  0.1759 -5.2622 3  547.6276 81  72503 3034036 4      4035 5        s-trans-Propenoic acid
  490746.2806  0.1759 -5.2622 3  547.6276 81  72503 3034036 5      4035 6        s-trans-Propenoic acid
  490855.3646  0.2823 -5.2380 3 1091.3629131  72503 303654718      644717        s-trans-Propenoic acid
  490855.3646  0.2823 -5.2380 3 1091.3629131  72503 303654719      644718        s-trans-Propenoic acid
  490860.4575  0.1764 -5.3334 3  537.5510 79  72503 3033936 3      3935 4        s-trans-Propenoic acid
  490860.4575  0.1764 -5.3334 3  537.5510 79  72503 3033936 4      3935 5        s-trans-Propenoic acid
  490882.3589  0.0220 -4.7120 3  639.8077131  72503 303651352      641451        s-trans-Propenoic acid
  490919.4965  0.0075 -5.4355 3  183.7705 61  72503 303301021      29 722        s-trans-Propenoic acid
  490967.7331  0.1769 -5.4330 3  527.7285 77  72503 3033836 2      3835 3        s-trans-Propenoic acid
  490967.7331  0.1769 -5.4330 3  527.7285 77  72503 3033836 3      3835 4        s-trans-Propenoic acid
  490973.9310  0.0223 -4.0060 3  639.8077131  72503 303651452      641451        s-trans-Propenoic acid
  490976.9480  0.0062 -4.3063 3  292.2729 79  72503 303391525      381424        s-trans-Propenoic acid
  491040.7242  0.0225 -4.0059 3  639.8024131  72503 303651352      641351        s-trans-Propenoic acid
  491064.3512  0.0062 -4.3062 3  292.2704 79  72503 303391524      381425        s-trans-Propenoic acid
  491068.4183  0.1774 -5.5840 3  518.1599 75  72503 3033736 1      3735 2        s-trans-Propenoic acid
  491068.4183  0.1774 -5.5840 3  518.1599 75  72503 3033736 2      3735 3        s-trans-Propenoic acid
  491080.6603  0.2694 -5.1736 3 1070.0303131  72503 303654619      644618        s-trans-Propenoic acid
  491080.6603  0.2694 -5.1736 3 1070.0303131  72503 303654620      644619        s-trans-Propenoic acid
  491112.9551  0.0066 -4.4305 3  317.9956 85  72503 303421429      411328        s-trans-Propenoic acid
  491127.1016  0.0172 -4.7754 3  631.4572129  72503 303641450      631549        s-trans-Propenoic acid
  491132.2962  0.0229 -4.7116 3  639.8024131  72503 303651452      641351        s-trans-Propenoic acid
  491162.8155  0.1780 -5.8603 3  508.8451 73  72503 3033636 0      3635 1        s-trans-Propenoic acid
  491162.8155  0.1780 -5.8603 3  508.8451 73  72503 3033636 1      3635 2        s-trans-Propenoic acid
  491221.6908  0.0134 -4.1360 3  258.4358 67  72503 303331816      321715        s-trans-Propenoic acid
  491221.6909  0.0134 -4.1360 3  258.4358 67  72503 303331815      321716        s-trans-Propenoic acid
  491251.5836  0.1468 -5.6901 3  823.9570167  72503 30383 380      83 281        s-trans-Propenoic acid
  491251.5836  0.1468 -5.6901 3  823.9570167  72503 30383 480      83 381        s-trans-Propenoic acid
  491256.6044  0.4080 -5.6738 3 1156.9464159  72503 303793742      793643        s-trans-Propenoic acid
  491256.6044  0.4080 -5.6738 3 1156.9464159  72503 303793743      793644        s-trans-Propenoic acid
  491273.9804  0.0517 -4.7840 3  505.8667113  72503 303561542      551441        s-trans-Propenoic acid
  491297.4492  0.0079 -5.5610 3  175.9470 59  72503 303291020      28 721        s-trans-Propenoic acid
  491315.4910  0.2568 -5.1114 3 1049.1618131  72503 303654520      644519        s-trans-Propenoic acid
  491315.4910  0.2568 -5.1114 3 1049.1618131  72503 303654521      644520        s-trans-Propenoic acid
  491560.8961  0.2444 -5.0512 3 1028.7580131  72503 303654421      644420        s-trans-Propenoic acid
  491560.8961  0.2444 -5.0512 3 1028.7580131  72503 303654422      644421        s-trans-Propenoic acid
  491579.3136  0.0712 -4.2709 3  737.8270129  72503 303642738      632737        s-trans-Propenoic acid
  491579.3137  0.0712 -4.2709 3  737.8270129  72503 303642737      632736        s-trans-Propenoic acid
  491750.3180  0.0178 -4.8805 3  638.7097129  72503 303641549      631648        s-trans-Propenoic acid
  491818.0444  0.2324 -4.9931 3 1008.8198131  72503 303654322      644321        s-trans-Propenoic acid
  491818.0444  0.2324 -4.9931 3 1008.8198131  72503 303654323      644322        s-trans-Propenoic acid
  491854.2127  0.0300 -4.0787 3  658.8968127  72503 303632143      622142        s-trans-Propenoic acid
  491861.3751  0.0102 -4.1816 3  268.0374 71  72503 303351719      341618        s-trans-Propenoic acid
  491861.3874  0.0102 -4.1816 3  268.0374 71  72503 303351718      341619        s-trans-Propenoic acid
  491871.4409  0.1494 -5.7581 3 1060.2408183  72503 30391 883      91 784        s-trans-Propenoic acid
  491871.4409  0.1494 -5.7581 3 1060.2408183  72503 30391 983      91 884        s-trans-Propenoic acid
  491910.9085  0.0299 -4.0787 3  658.8990127  72503 303632142      622141        s-trans-Propenoic acid
  491949.2658  0.3894 -5.6402 3 1136.8069157  72503 303783741      783642        s-trans-Propenoic acid
  491949.2658  0.3894 -5.6402 3 1136.8069157  72503 303783742      783643        s-trans-Propenoic acid
  491962.5953  0.0078 -4.2365 3  279.2854 75  72503 303371622      361521        s-trans-Propenoic acid
  491963.9969  0.0078 -4.2365 3  279.2853 75  72503 303371621      361522        s-trans-Propenoic acid
  492088.2547  0.2206 -4.9368 3  989.3479131  72503 303654223      644222        s-trans-Propenoic acid
  492088.2547  0.2206 -4.9368 3  989.3479131  72503 303654224      644223        s-trans-Propenoic acid
  492373.0206  0.2090 -4.8823 3  970.3432131  72503 303654124      644123        s-trans-Propenoic acid
  492373.0206  0.2090 -4.8823 3  970.3432131  72503 303654125      644124        s-trans-Propenoic acid
  492373.9349  0.0209 -3.9943 3  631.4572129  72503 303641550      631549        s-trans-Propenoic acid
  492540.6790  0.0639 -4.2379 3  726.0486129  72503 303642639      632638        s-trans-Propenoic acid
  492540.6796  0.0639 -4.2379 3  726.0486129  72503 303642638      632637        s-trans-Propenoic acid
  492615.1213  0.3719 -5.6074 3 1116.9309155  72503 303773740      773641        s-trans-Propenoic acid
  492615.1213  0.3719 -5.6074 3 1116.9309155  72503 303773741      773642        s-trans-Propenoic acid
  492674.0396  0.1978 -4.8295 3  951.8067131  72503 303654025      644024        s-trans-Propenoic acid
  492674.0396  0.1978 -4.8295 3  951.8067131  72503 303654026      644025        s-trans-Propenoic acid
  492696.8775  0.0145 -3.9044 3  576.7484121  72503 303601644      591643        s-trans-Propenoic acid
  492842.3460  0.0069 -5.3228 3  191.7927 63  72503 303311022      30 723        s-trans-Propenoic acid
  492993.2499  0.1867 -4.7785 3  933.7394131  72503 303653926      643925        s-trans-Propenoic acid
  492993.2499  0.1867 -4.7785 3  933.7394131  72503 303653927      643926        s-trans-Propenoic acid
  493081.0642  0.0386 -3.9807 3  239.4994 49  72503 3032423 1      2322 2        s-trans-Propenoic acid
  493081.0642  0.0386 -3.9807 3  239.4994 49  72503 3032423 2      2322 1        s-trans-Propenoic acid
  493165.7754  0.0227 -3.9927 3  631.3892129  72503 303641450      631449        s-trans-Propenoic acid
  493255.0696  0.3553 -5.5754 3 1097.3180153  72503 303763739      763640        s-trans-Propenoic acid
  493255.0696  0.3553 -5.5754 3 1097.3180153  72503 303763740      763641        s-trans-Propenoic acid
  493265.5491  0.0179 -3.9815 3  622.2561127  72503 303631648      621647        s-trans-Propenoic acid
  493321.9606  0.0081 -5.6909 3  168.3446 57  72503 303281019      27 720        s-trans-Propenoic acid
  493325.9745  0.1491 -5.6854 3  967.0250177  72503 30388 682      88 583        s-trans-Propenoic acid
  493325.9745  0.1491 -5.6854 3  967.0250177  72503 30388 782      88 683        s-trans-Propenoic acid
  493332.8737  0.1760 -4.7290 3  916.1426131  72503 303653827      643826        s-trans-Propenoic acid
  493332.8737  0.1760 -4.7290 3  916.1426131  72503 303653828      643827        s-trans-Propenoic acid
  493640.5978  0.0569 -4.2061 3  714.7915129  72503 303642540      632539        s-trans-Propenoic acid
  493640.6073  0.0569 -4.2061 3  714.7915129  72503 303642539      632538        s-trans-Propenoic acid
  493695.4720  0.1655 -4.6812 3  899.0176131  72503 303653728      643727        s-trans-Propenoic acid
  493695.4720  0.1655 -4.6812 3  899.0176131  72503 303653729      643728        s-trans-Propenoic acid
  493864.6890  0.1944 -5.3440 3  764.6751141  72503 303701852      691951        s-trans-Propenoic acid
  493869.9758  0.3398 -5.5442 3 1077.9680151  72503 303753738      753639        s-trans-Propenoic acid
  493869.9758  0.3398 -5.5442 3 1077.9680151  72503 303753739      753640        s-trans-Propenoic acid
  493881.5571  0.0191 -4.6143 3  376.8779 95  72503 303471434      461333        s-trans-Propenoic acid
  494003.3063  0.0051 -5.4467 3  196.1742 63  72503 303311121      30 922        s-trans-Propenoic acid
  494008.2558  0.1561 -5.8249 3 1118.5184187  72503 30393 984      93 885        s-trans-Propenoic acid
  494008.2558  0.1561 -5.8249 3 1118.5184187  72503 303931084      93 985        s-trans-Propenoic acid
  494084.0120  0.1553 -4.6349 3  882.3661131  72503 303653629      643628        s-trans-Propenoic acid
  494084.0120  0.1553 -4.6349 3  882.3661131  72503 303653630      643629        s-trans-Propenoic acid
  494153.8546  0.1507 -5.6711 3  876.8425171  72503 30385 481      85 382        s-trans-Propenoic acid
  494153.8546  0.1507 -5.6711 3  876.8425171  72503 30385 581      85 482        s-trans-Propenoic acid
  494321.7486  0.0322 -4.0064 3  241.9305 53  72503 3032622 4      2521 5        s-trans-Propenoic acid
  494321.7486  0.0322 -4.0064 3  241.9305 53  72503 3032622 5      2521 4        s-trans-Propenoic acid
  494336.2403  0.0249 -4.0518 3  650.4659127  72503 303632044      622043        s-trans-Propenoic acid
  494401.4301  0.1561 -5.7887 3  789.7326165  72503 30382 280      82 181        s-trans-Propenoic acid
  494401.4301  0.1561 -5.7887 3  789.7326165  72503 30382 380      82 281        s-trans-Propenoic acid
  494412.6087  0.0270 -4.7693 3  631.3892129  72503 303641550      631449        s-trans-Propenoic acid
  494429.4975  0.0375 -4.0417 3  702.6149153  72503 30376 373      75 372        s-trans-Propenoic acid
  494429.4975  0.0375 -4.4642 3  702.6149153  72503 30376 373      75 472        s-trans-Propenoic acid
  494429.4975  0.0375 -4.4642 3  702.6149153  72503 30376 473      75 372        s-trans-Propenoic acid
  494429.4975  0.0375 -4.0417 3  702.6149153  72503 30376 473      75 472        s-trans-Propenoic acid
  494430.5054  0.0427 -4.0370 3  704.1676155  72503 30377 275      76 274        s-trans-Propenoic acid
  494430.5054  0.0427 -4.4455 3  704.1676155  72503 30377 275      76 374        s-trans-Propenoic acid
  494430.5054  0.0427 -4.4455 3  704.1676155  72503 30377 375      76 274        s-trans-Propenoic acid
  494430.5054  0.0427 -4.0370 3  704.1676155  72503 30377 375      76 374        s-trans-Propenoic acid
  494434.7358  0.0503 -4.0313 3  705.2017157  72503 30378 177      77 176        s-trans-Propenoic acid
  494434.7358  0.0503 -4.4270 3  705.2017157  72503 30378 177      77 276        s-trans-Propenoic acid
  494434.7358  0.0503 -4.4270 3  705.2017157  72503 30378 277      77 176        s-trans-Propenoic acid
  494434.7358  0.0503 -4.0313 3  705.2017157  72503 30378 277      77 276        s-trans-Propenoic acid
  494435.5875  0.0342 -4.0454 3  700.5376151  72503 30375 471      74 470        s-trans-Propenoic acid
  494435.5875  0.0342 -4.4830 3  700.5376151  72503 30375 471      74 570        s-trans-Propenoic acid
  494435.5875  0.0342 -4.4830 3  700.5376151  72503 30375 571      74 470        s-trans-Propenoic acid
  494435.5875  0.0342 -4.0454 3  700.5376151  72503 30375 571      74 570        s-trans-Propenoic acid
  494439.2267  0.0608 -4.0246 3  705.7221159  72503 30379 079      78 078        s-trans-Propenoic acid
  494439.2267  0.0608 -4.4083 3  705.7221159  72503 30379 079      78 178        s-trans-Propenoic acid
  494439.2267  0.0608 -4.4083 3  705.7221159  72503 30379 179      78 078        s-trans-Propenoic acid
  494439.2267  0.0608 -4.0246 3  705.7221159  72503 30379 179      78 178        s-trans-Propenoic acid
  494453.9112  0.0322 -4.0481 3  697.9285149  72503 30374 569      73 568        s-trans-Propenoic acid
  494453.9112  0.0322 -4.5022 3  697.9285149  72503 30374 569      73 668        s-trans-Propenoic acid
  494453.9112  0.0322 -4.5022 3  697.9285149  72503 30374 669      73 568        s-trans-Propenoic acid
  494453.9112  0.0322 -4.0481 3  697.9285149  72503 30374 669      73 668        s-trans-Propenoic acid
  494460.6726  0.3252 -5.5138 3 1058.8803149  72503 303743737      743638        s-trans-Propenoic acid
  494460.6726  0.3252 -5.5138 3 1058.8803149  72503 303743738      743639        s-trans-Propenoic acid
  494491.3764  0.0309 -4.0496 3  694.7788147  72503 30373 667      72 666        s-trans-Propenoic acid
  494491.3764  0.0309 -4.5220 3  694.7788147  72503 30373 667      72 766        s-trans-Propenoic acid
  494491.3764  0.0309 -4.5220 3  694.7788147  72503 30373 767      72 666        s-trans-Propenoic acid
  494491.3764  0.0309 -4.0496 3  694.7788147  72503 30373 767      72 766        s-trans-Propenoic acid
  494501.9526  0.1454 -4.5901 3  866.1898131  72503 303653530      643529        s-trans-Propenoic acid
  494501.9526  0.1454 -4.5901 3  866.1898131  72503 303653531      643530        s-trans-Propenoic acid
  494552.2569  0.0048 -5.6799 3  163.8503 53  72503 303261214      251015        s-trans-Propenoic acid
  494557.4404  0.0300 -4.0500 3  691.0779145  72503 30372 765      71 764        s-trans-Propenoic acid
  494557.4404  0.0300 -4.5426 3  691.0779145  72503 30372 765      71 864        s-trans-Propenoic acid
  494557.4404  0.0300 -4.5426 3  691.0779145  72503 30372 865      71 764        s-trans-Propenoic acid
  494557.4404  0.0300 -4.0500 3  691.0779145  72503 30372 865      71 864        s-trans-Propenoic acid
  494649.0513  0.0048 -5.6798 3  163.8471 53  72503 303261215      251016        s-trans-Propenoic acid
  494665.3373  0.0293 -4.0493 3  686.8123143  72503 30371 863      70 862        s-trans-Propenoic acid
  494665.3373  0.0293 -4.5643 3  686.8123143  72503 30371 863      70 962        s-trans-Propenoic acid
  494665.3373  0.0293 -4.5643 3  686.8123143  72503 30371 963      70 862        s-trans-Propenoic acid
  494665.3373  0.0293 -4.0493 3  686.8123143  72503 30371 963      70 962        s-trans-Propenoic acid
  494747.4389  0.0247 -4.0511 3  650.4841127  72503 303632043      622042        s-trans-Propenoic acid
  494813.5934  0.0235 -3.9489 3  605.1562125  72503 303621547      611546        s-trans-Propenoic acid
  494814.4383  0.0053 -5.6409 3  156.1297 59  72503 30329 425      28 326        s-trans-Propenoic acid
  494834.0970  0.0285 -4.5878 3  681.9651141  72503 30370 961      691060        s-trans-Propenoic acid
  494834.0971  0.0285 -4.0472 3  681.9651141  72503 303701061      691060        s-trans-Propenoic acid
  494834.0972  0.0285 -4.0472 3  681.9651141  72503 30370 961      69 960        s-trans-Propenoic acid
  494834.0973  0.0285 -4.5878 3  681.9651141  72503 303701061      69 960        s-trans-Propenoic acid
  494867.9750  0.0053 -5.6409 3  156.1297 59  72503 30329 525      28 226        s-trans-Propenoic acid
  494914.8777  0.0501 -4.1755 3  704.0683129  72503 303642441      632440        s-trans-Propenoic acid
  494914.9952  0.0501 -4.1755 3  704.0683129  72503 303642440      632439        s-trans-Propenoic acid
  494953.3520  0.1357 -4.5467 3  850.4908131  72503 303653431      643430        s-trans-Propenoic acid
  494953.3520  0.1357 -4.5467 3  850.4908131  72503 303653432      643431        s-trans-Propenoic acid
  494990.6867  0.0078 -4.4585 3  329.0967 87  72503 303431430      421329        s-trans-Propenoic acid
  495027.9630  0.3116 -5.4843 3 1040.0547147  72503 303733736      733637        s-trans-Propenoic acid
  495027.9630  0.3116 -5.4843 3 1040.0547147  72503 303733737      733638        s-trans-Propenoic acid
  495092.0566  0.0276 -4.6136 3  676.5144139  72503 303691059      681158        s-trans-Propenoic acid
  495092.0608  0.0276 -4.0437 3  676.5144139  72503 303691159      681158        s-trans-Propenoic acid
  495092.0648  0.0276 -4.0437 3  676.5144139  72503 303691059      681058        s-trans-Propenoic acid
  495092.0690  0.0276 -4.6136 3  676.5144139  72503 303691159      681058        s-trans-Propenoic acid
  495443.0078  0.1262 -4.5048 3  835.2714131  72503 303653332      643331        s-trans-Propenoic acid
  495443.0078  0.1262 -4.5048 3  835.2714131  72503 303653333      643332        s-trans-Propenoic acid
  495483.2988  0.0266 -4.6427 3  670.4309137  72503 303681157      671256        s-trans-Propenoic acid
  495483.4202  0.0266 -4.0387 3  670.4309137  72503 303681257      671256        s-trans-Propenoic acid
  495483.5271  0.0266 -4.0387 3  670.4309137  72503 303681157      671156        s-trans-Propenoic acid
  495483.6485  0.0266 -4.6427 3  670.4309137  72503 303681257      671156        s-trans-Propenoic acid
  495537.4413  0.0265 -4.0344 3  245.8637 57  72503 3032821 7      2720 8        s-trans-Propenoic acid
  495537.4413  0.0265 -4.0344 3  245.8637 57  72503 3032821 8      2720 7        s-trans-Propenoic acid
  495572.6211  0.2989 -5.4556 3 1021.4909145  72503 303723735      723636        s-trans-Propenoic acid
  495572.6211  0.2989 -5.4556 3 1021.4909145  72503 303723736      723637        s-trans-Propenoic acid
  495784.6014  0.1549 -5.7319 3 1023.2847181  72503 30390 783      90 684        s-trans-Propenoic acid
  495784.6014  0.1549 -5.7319 3 1023.2847181  72503 30390 883      90 784        s-trans-Propenoic acid
  495899.4493  0.0053 -5.3916 3  208.6799 67  72503 303331024      32 825        s-trans-Propenoic acid
  495976.6391  0.1170 -4.4643 3  820.5344131  72503 303653233      643232        s-trans-Propenoic acid
  495976.6391  0.1170 -4.4643 3  820.5344131  72503 303653234      643233        s-trans-Propenoic acid
  496078.0884  0.0255 -4.6767 3  663.6740135  72503 303671255      661354        s-trans-Propenoic acid
  496080.9188  0.0255 -4.0319 3  663.6740135  72503 303671355      661354        s-trans-Propenoic acid
  496083.2308  0.0255 -4.0319 3  663.6739135  72503 303671255      661254        s-trans-Propenoic acid
  496086.0612  0.0256 -4.6767 3  663.6739135  72503 303671355      661254        s-trans-Propenoic acid
  496095.3947  0.2871 -5.4277 3 1003.1885143  72503 303713734      713635        s-trans-Propenoic acid
  496095.3947  0.2871 -5.4277 3 1003.1885143  72503 303713735      713636        s-trans-Propenoic acid
  496206.7364  0.0057 -4.4236 3  317.8590 85  72503 303421428      411329        s-trans-Propenoic acid
  496232.0623  0.0080 -5.8177 3  160.9887 55  72503 303271018      26 719        s-trans-Propenoic acid
  496414.3682  0.0435 -4.1459 3  693.8959129  72503 303642342      632341        s-trans-Propenoic acid
  496415.6566  0.0435 -4.1459 3  693.8959129  72503 303642341      632340        s-trans-Propenoic acid
  496477.5092  0.0053 -5.3013 3  179.8132 63  72503 30331 625      30 526        s-trans-Propenoic acid
  496505.6830  0.0053 -5.6788 3  179.8122 63  72503 30331 625      30 426        s-trans-Propenoic acid
  496561.1289  0.1081 -4.4251 3  806.2831131  72503 303653134      643133        s-trans-Propenoic acid
  496561.1289  0.1081 -4.4251 3  806.2831131  72503 303653135      643134        s-trans-Propenoic acid
  496597.0058  0.2762 -5.4008 3  985.1472141  72503 303703733      703634        s-trans-Propenoic acid
  496597.0058  0.2762 -5.4008 3  985.1472141  72503 303703734      703635        s-trans-Propenoic acid
  496699.3461  0.0214 -4.0654 3  251.3127 61  72503 303302010      291911        s-trans-Propenoic acid
  496699.3461  0.0214 -4.0654 3  251.3127 61  72503 303302011      291910        s-trans-Propenoic acid
  496781.0288  0.0228 -3.9381 3  597.6170123  72503 303611744      601743        s-trans-Propenoic acid
  496888.2630  0.4170 -5.8387 3 1294.9885133  72503 303665511      655510        s-trans-Propenoic acid
  496888.2630  0.4170 -5.8387 3 1294.9885133  72503 303665512      655511        s-trans-Propenoic acid
  496913.0705  0.1556 -5.6830 3  931.0641175  72503 30387 582      87 483        s-trans-Propenoic acid
  496913.0705  0.1556 -5.6830 3  931.0641175  72503 30387 682      87 583        s-trans-Propenoic acid
  496951.6943  0.0242 -4.7186 3  656.1848133  72503 303661353      651452        s-trans-Propenoic acid
  497004.2039  0.0245 -4.0229 3  656.1848133  72503 303661453      651452        s-trans-Propenoic acid
  497043.2663  0.0246 -4.0228 3  656.1818133  72503 303661353      651352        s-trans-Propenoic acid
  497044.0795  0.0207 -4.0262 3  642.7032127  72503 303631945      621944        s-trans-Propenoic acid
  497069.6427  0.4011 -5.7520 3 1269.9676133  72503 303665412      655411        s-trans-Propenoic acid
  497069.6427  0.4011 -5.7520 3 1269.9676133  72503 303665413      655412        s-trans-Propenoic acid
  497078.1526  0.2662 -5.3747 3  967.3668139  72503 303693732      693633        s-trans-Propenoic acid
  497078.1526  0.2662 -5.3747 3  967.3668139  72503 303693733      693634        s-trans-Propenoic acid
  497088.1915  0.0051 -5.4458 3  167.8375 61  72503 30330 525      29 426        s-trans-Propenoic acid
  497091.0698  0.0051 -5.8313 3  167.8374 61  72503 30330 525      29 326        s-trans-Propenoic acid
  497095.7759  0.0248 -4.7184 3  656.1818133  72503 303661453      651352        s-trans-Propenoic acid
  497176.6160  0.0153 -4.5709 3  364.4117 93  72503 303461433      451332        s-trans-Propenoic acid
  497204.8524  0.0994 -4.3873 3  792.5213131  72503 303653035      643034        s-trans-Propenoic acid
  497204.8524  0.0994 -4.3873 3  792.5213131  72503 303653036      643035        s-trans-Propenoic acid
  497255.5453  0.3855 -5.6694 3 1245.4070133  72503 303665313      655312        s-trans-Propenoic acid
  497255.5453  0.3855 -5.6694 3 1245.4070133  72503 303665314      655313        s-trans-Propenoic acid
  497296.7479  0.0227 -3.9810 3  619.6417125  72503 303621844      611843        s-trans-Propenoic acid
  497443.2937  0.1589 -5.7168 3  841.8967169  72503 30384 381      84 282        s-trans-Propenoic acid
  497443.2937  0.1589 -5.7168 3  841.8967169  72503 30384 481      84 382        s-trans-Propenoic acid
  497446.4408  0.3702 -5.5904 3 1221.3073133  72503 303665214      655213        s-trans-Propenoic acid
  497446.4408  0.3702 -5.5904 3 1221.3073133  72503 303665215      655214        s-trans-Propenoic acid
  497469.6650  0.0050 -5.8308 3  167.8375 61  72503 30330 625      29 426        s-trans-Propenoic acid
  497472.5434  0.0050 -5.4453 3  167.8374 61  72503 30330 625      29 326        s-trans-Propenoic acid
  497497.3635  0.0064 -5.2292 3  199.9971 65  72503 303321023      31 724        s-trans-Propenoic acid
  497516.9266  0.0067 -5.1497 3  271.5281 79  72503 303391128      38 929        s-trans-Propenoic acid
  497533.1730  0.0096 -4.4913 3  340.5255 89  72503 303441431      431330        s-trans-Propenoic acid
  497539.5106  0.2569 -5.3495 3  949.8468137  72503 303683731      683632        s-trans-Propenoic acid
  497539.5106  0.2569 -5.3495 3  949.8468137  72503 303683732      683633        s-trans-Propenoic acid
  497606.4227  0.0205 -4.7759 3  647.8810131  72503 303651451      641550        s-trans-Propenoic acid
  497642.8473  0.3552 -5.5146 3 1197.6687133  72503 303665115      655114        s-trans-Propenoic acid
  497642.8473  0.3552 -5.5146 3 1197.6687133  72503 303665116      655115        s-trans-Propenoic acid
  497712.9754  0.0065 -4.3200 3  302.3826 81  72503 303401526      391425        s-trans-Propenoic acid
  497758.4612  0.0170 -4.1005 3  258.2966 65  72503 303321913      311814        s-trans-Propenoic acid
  497758.4612  0.0170 -4.1005 3  258.2966 65  72503 303321914      311813        s-trans-Propenoic acid
  497845.3368  0.3404 -5.4416 3 1174.4919133  72503 303665016      655015        s-trans-Propenoic acid
  497845.3368  0.3404 -5.4416 3 1174.4919133  72503 303665017      655016        s-trans-Propenoic acid
  497888.3122  0.0167 -3.9889 3  628.9064127  72503 303631747      621746        s-trans-Propenoic acid
  497888.5266  0.0064 -4.3197 3  302.3777 81  72503 303401525      391426        s-trans-Propenoic acid
  497918.1310  0.0910 -4.3508 3  779.2536131  72503 303652936      642935        s-trans-Propenoic acid
  497918.1310  0.0910 -4.3508 3  779.2536131  72503 303652937      642936        s-trans-Propenoic acid
  497981.7334  0.2485 -5.3253 3  932.5870135  72503 303673730      673631        s-trans-Propenoic acid
  497981.7334  0.2485 -5.3253 3  932.5870135  72503 303673731      673632        s-trans-Propenoic acid
  498054.5426  0.3260 -5.3714 3 1151.7771133  72503 303664917      654916        s-trans-Propenoic acid
  498054.5426  0.3260 -5.3714 3 1151.7771133  72503 303664918      654917        s-trans-Propenoic acid
  498089.5815  0.1613 -5.7903 3 1080.8656185  72503 30392 884      92 785        s-trans-Propenoic acid
  498089.5815  0.1613 -5.7903 3 1080.8656185  72503 30392 984      92 885        s-trans-Propenoic acid
  498212.6395  0.0372 -4.1174 3  684.2970129  72503 303642243      632242        s-trans-Propenoic acid
  498224.9722  0.0372 -4.1173 3  684.2975129  72503 303642242      632241        s-trans-Propenoic acid
  498271.1670  0.3118 -5.3037 3 1129.5250133  72503 303664818      654817        s-trans-Propenoic acid
  498271.1670  0.3118 -5.3037 3 1129.5250133  72503 303664819      654818        s-trans-Propenoic acid
  498359.6897  0.0232 -4.0112 3  647.8810131  72503 303651551      641550        s-trans-Propenoic acid
  498361.5565  0.0120 -4.5291 3  352.2944 91  72503 303451432      441331        s-trans-Propenoic acid
  498405.4544  0.2408 -5.3020 3  915.5872133  72503 303663729      663630        s-trans-Propenoic acid
  498405.4544  0.2408 -5.3020 3  915.5872133  72503 303663730      663631        s-trans-Propenoic acid
  498495.9912  0.2979 -5.2382 3 1107.7361133  72503 303664719      654718        s-trans-Propenoic acid
  498495.9912  0.2979 -5.2382 3 1107.7361133  72503 303664720      654719        s-trans-Propenoic acid
  498606.9444  0.0050 -5.6762 3  179.8132 63  72503 30331 725      30 526        s-trans-Propenoic acid
  498621.0105  0.0516 -4.7759 3  490.9011111  72503 303551541      541440        s-trans-Propenoic acid
  498630.7148  0.0132 -4.1409 3  266.8424 69  72503 303341817      331716        s-trans-Propenoic acid
  498630.7149  0.0132 -4.1409 3  266.8424 69  72503 303341816      331717        s-trans-Propenoic acid
  498635.1181  0.0050 -5.2988 3  179.8122 63  72503 30331 725      30 426        s-trans-Propenoic acid
  498713.8773  0.0828 -4.3156 3  766.4857131  72503 303652837      642836        s-trans-Propenoic acid
  498713.8773  0.0828 -4.3156 3  766.4857131  72503 303652838      642837        s-trans-Propenoic acid
  498729.8863  0.2843 -5.1750 3 1086.4110133  72503 303664620      654619        s-trans-Propenoic acid
  498729.8863  0.2843 -5.1750 3 1086.4110133  72503 303664621      654620        s-trans-Propenoic acid
  498790.5097  0.0076 -5.1095 3  212.7079 69  72503 30334 826      33 727        s-trans-Propenoic acid
  498811.2873  0.2338 -5.2797 3  898.8470131  72503 303653728      653629        s-trans-Propenoic acid
  498811.2873  0.2338 -5.2797 3  898.8470131  72503 303653729      653630        s-trans-Propenoic acid
  498853.2560  0.0245 -4.0103 3  647.8394131  72503 303651451      641450        s-trans-Propenoic acid
  498872.7761  0.0177 -4.0041 3  635.5851127  72503 303631846      621845        s-trans-Propenoic acid
  498973.8262  0.2710 -5.1138 3 1065.5503133  72503 303664521      654520        s-trans-Propenoic acid
  498973.8262  0.2710 -5.1138 3 1065.5503133  72503 303664522      654521        s-trans-Propenoic acid
  499066.0169  0.0052 -5.5519 3  192.0329 65  72503 30332 825      31 626        s-trans-Propenoic acid
  499087.2356  0.0079 -4.2459 3  288.8020 77  72503 303381623      371522        s-trans-Propenoic acid
  499090.4387  0.0079 -4.2459 3  288.8019 77  72503 303381622      371523        s-trans-Propenoic acid
  499144.4370  0.0259 -3.9693 3  621.6614127  72503 303631548      621547        s-trans-Propenoic acid
  499167.4101  0.0102 -4.1883 3  276.9903 73  72503 303361720      351619        s-trans-Propenoic acid
  499167.4424  0.0102 -4.1883 3  276.9903 73  72503 303361719      351620        s-trans-Propenoic acid
  499199.8274  0.2275 -5.2585 3  882.3661129  72503 303643727      643628        s-trans-Propenoic acid
  499199.8274  0.2275 -5.2585 3  882.3661129  72503 303643728      643629        s-trans-Propenoic acid
  499228.9033  0.2579 -5.0547 3 1045.1547133  72503 303664422      654421        s-trans-Propenoic acid
  499228.9033  0.2579 -5.0547 3 1045.1547133  72503 303664423      654422        s-trans-Propenoic acid
  499278.1551  0.0052 -5.1878 3  192.0258 65  72503 30332 825      31 526        s-trans-Propenoic acid
  499415.1487  0.0215 -4.0223 3  642.8268127  72503 303631944      621943        s-trans-Propenoic acid
  499496.3465  0.2452 -4.9974 3 1025.2251133  72503 303664323      654322        s-trans-Propenoic acid
  499496.3465  0.2452 -4.9974 3 1025.2251133  72503 303664324      654323        s-trans-Propenoic acid
  499519.9055  0.0075 -5.4614 3  212.6835 69  72503 30334 826      33 627        s-trans-Propenoic acid
  499526.5925  0.1612 -5.7156 3  986.6171179  72503 30389 683      89 584        s-trans-Propenoic acid
  499526.5925  0.1612 -5.7156 3  986.6171179  72503 30389 783      89 684        s-trans-Propenoic acid
  499571.4800  0.0204 -3.9979 3  638.7097129  72503 303641649      631648        s-trans-Propenoic acid
  499571.6520  0.2219 -5.2383 3  866.1443127  72503 303633726      633627        s-trans-Propenoic acid
  499571.6520  0.2219 -5.2383 3  866.1443127  72503 303633727      633628        s-trans-Propenoic acid
  499606.5230  0.0273 -4.7723 3  647.8394131  72503 303651551      641450        s-trans-Propenoic acid
  499608.5386  0.0749 -4.2816 3  754.2243131  72503 303652739      642738        s-trans-Propenoic acid
  499608.5387  0.0749 -4.2816 3  754.2243131  72503 303652738      642737        s-trans-Propenoic acid
  499777.5431  0.2327 -4.9419 3 1005.7622133  72503 303664224      654223        s-trans-Propenoic acid
  499777.5431  0.2327 -4.9419 3 1005.7622133  72503 303664225      654224        s-trans-Propenoic acid
  499927.3217  0.2169 -5.2191 3  850.1813125  72503 303623725      623626        s-trans-Propenoic acid
  499927.3217  0.2169 -5.2191 3  850.1813125  72503 303623726      623627        s-trans-Propenoic acid
  499957.3680  0.0066 -4.5677 3  323.8487 87  72503 303431330      421231        s-trans-Propenoic acid
  500074.0650  0.2205 -4.8881 3  986.7670133  72503 303664125      654124        s-trans-Propenoic acid
  500074.0650  0.2205 -4.8881 3  986.7670133  72503 303664126      654125        s-trans-Propenoic acid
  500267.3808  0.2125 -5.2011 3  834.4769123  72503 303613724      613625        s-trans-Propenoic acid
  500267.3808  0.2125 -5.2011 3  834.4769123  72503 303613725      613626        s-trans-Propenoic acid
  500346.1814  0.1631 -5.6991 3  895.4019173  72503 30386 482      86 383        s-trans-Propenoic acid
  500346.1814  0.1631 -5.6991 3  895.4019173  72503 30386 582      86 483        s-trans-Propenoic acid
  500387.7001  0.2086 -4.8360 3  968.2405133  72503 303664026      654025        s-trans-Propenoic acid
  500387.7001  0.2086 -4.8360 3  968.2405133  72503 303664027      654026        s-trans-Propenoic acid
  500405.1446  0.0312 -4.0897 3  675.3033129  72503 303642144      632143        s-trans-Propenoic acid
  500506.3204  0.0311 -4.0895 3  675.3074129  72503 303642143      632142        s-trans-Propenoic acid
  500555.9646  0.0135 -3.9175 3  593.1830123  72503 303611645      601644        s-trans-Propenoic acid
  500592.3582  0.2086 -5.1843 3  819.0308121  72503 303603723      603624        s-trans-Propenoic acid
  500592.3582  0.2086 -5.1843 3  819.0308121  72503 303603724      603625        s-trans-Propenoic acid
  500593.2867  0.1688 -5.8146 3  807.2590167  72503 30383 281      83 182        s-trans-Propenoic acid
  500593.2867  0.1688 -5.8146 3  807.2590167  72503 30383 381      83 282        s-trans-Propenoic acid
  500618.7925  0.0382 -3.9816 3  245.5514 51  72503 3032523 2      2422 3        s-trans-Propenoic acid
  500618.7925  0.0382 -3.9816 3  245.5514 51  72503 3032523 3      2422 2        s-trans-Propenoic acid
  500623.5282  0.0672 -4.2489 3  742.4780131  72503 303652640      642639        s-trans-Propenoic acid
  500623.5297  0.0672 -4.2489 3  742.4780131  72503 303652639      642638        s-trans-Propenoic acid
  500629.5175  0.0406 -4.0597 3  719.1073155  72503 30377 374      76 373        s-trans-Propenoic acid
  500629.5175  0.0406 -4.4815 3  719.1073155  72503 30377 374      76 473        s-trans-Propenoic acid
  500629.5175  0.0406 -4.4815 3  719.1073155  72503 30377 474      76 373        s-trans-Propenoic acid
  500629.5175  0.0406 -4.0597 3  719.1073155  72503 30377 474      76 473        s-trans-Propenoic acid
  500630.8861  0.0462 -4.0551 3  720.6600157  72503 30378 276      77 275        s-trans-Propenoic acid
  500630.8861  0.0462 -4.4632 3  720.6600157  72503 30378 276      77 375        s-trans-Propenoic acid
  500630.8861  0.0462 -4.4632 3  720.6600157  72503 30378 376      77 275        s-trans-Propenoic acid
  500630.8861  0.0462 -4.0551 3  720.6600157  72503 30378 376      77 375        s-trans-Propenoic acid
  500634.9059  0.0369 -4.0633 3  717.0302153  72503 30376 472      75 471        s-trans-Propenoic acid
  500634.9059  0.0369 -4.5000 3  717.0302153  72503 30376 472      75 571        s-trans-Propenoic acid
  500634.9059  0.0369 -4.5000 3  717.0302153  72503 30376 572      75 471        s-trans-Propenoic acid
  500634.9059  0.0369 -4.0633 3  717.0302153  72503 30376 572      75 571        s-trans-Propenoic acid
  500635.2664  0.0544 -4.0494 3  721.6942159  72503 30379 178      78 177        s-trans-Propenoic acid
  500635.2664  0.0544 -4.4449 3  721.6942159  72503 30379 178      78 277        s-trans-Propenoic acid
  500635.2664  0.0544 -4.4449 3  721.6942159  72503 30379 278      78 177        s-trans-Propenoic acid
  500635.2664  0.0544 -4.0494 3  721.6942159  72503 30379 278      78 277        s-trans-Propenoic acid
  500639.7836  0.0655 -4.0428 3  722.2149161  72503 30380 080      79 079        s-trans-Propenoic acid
  500639.7836  0.0655 -4.4265 3  722.2149161  72503 30380 080      79 179        s-trans-Propenoic acid
  500639.7836  0.0655 -4.4265 3  722.2149161  72503 30380 180      79 079        s-trans-Propenoic acid
  500639.7836  0.0655 -4.0428 3  722.2149161  72503 30380 180      79 179        s-trans-Propenoic acid
  500651.9922  0.0347 -4.0658 3  714.4217151  72503 30375 570      74 569        s-trans-Propenoic acid
  500651.9922  0.0347 -4.5188 3  714.4217151  72503 30375 570      74 669        s-trans-Propenoic acid
  500651.9922  0.0347 -4.5188 3  714.4217151  72503 30375 670      74 569        s-trans-Propenoic acid
  500651.9922  0.0347 -4.0658 3  714.4217151  72503 30375 670      74 669        s-trans-Propenoic acid
  500652.3732  0.0048 -5.6352 3  170.5643 55  72503 303271215      261016        s-trans-Propenoic acid
  500687.3888  0.0334 -4.0673 3  711.2733149  72503 30374 668      73 667        s-trans-Propenoic acid
  500687.3888  0.0334 -4.5381 3  711.2733149  72503 30374 668      73 767        s-trans-Propenoic acid
  500687.3888  0.0334 -4.5381 3  711.2733149  72503 30374 768      73 667        s-trans-Propenoic acid
  500687.3888  0.0334 -4.0673 3  711.2733149  72503 30374 768      73 767        s-trans-Propenoic acid
  500720.4909  0.1970 -4.7856 3  950.1839133  72503 303663927      653926        s-trans-Propenoic acid
  500720.4909  0.1970 -4.7856 3  950.1839133  72503 303663928      653927        s-trans-Propenoic acid
  500728.4816  0.0142 -4.8670 3  655.3736131  72503 303651550      641649        s-trans-Propenoic acid
  500750.0992  0.0324 -4.0676 3  707.5745147  72503 30373 766      72 765        s-trans-Propenoic acid
  500750.0992  0.0324 -4.5581 3  707.5745147  72503 30373 766      72 865        s-trans-Propenoic acid
  500750.0992  0.0324 -4.5581 3  707.5745147  72503 30373 866      72 765        s-trans-Propenoic acid
  500750.0992  0.0324 -4.0676 3  707.5745147  72503 30373 866      72 865        s-trans-Propenoic acid
  500852.6409  0.0316 -4.0667 3  703.3125145  72503 30372 864      71 863        s-trans-Propenoic acid
  500852.6409  0.0316 -4.5793 3  703.3125145  72503 30372 864      71 963        s-trans-Propenoic acid
  500852.6409  0.0316 -4.5793 3  703.3125145  72503 30372 964      71 863        s-trans-Propenoic acid
  500852.6409  0.0316 -4.0667 3  703.3125145  72503 30372 964      71 963        s-trans-Propenoic acid
  500857.1954  0.0053 -5.4153 3  204.2643 65  72503 303321122      31 923        s-trans-Propenoic acid
  500858.9533  0.0048 -5.6349 3  170.5574 55  72503 303271216      261017        s-trans-Propenoic acid
  500902.7680  0.2052 -5.1687 3  803.8426119  72503 303593722      593623        s-trans-Propenoic acid
  500902.7680  0.2052 -5.1687 3  803.8426119  72503 303593723      593624        s-trans-Propenoic acid
  500986.0074  0.0117 -4.8274 3  282.3187 81  72503 303401129      391030        s-trans-Propenoic acid
  501012.8773  0.0308 -4.6020 3  698.4710143  72503 30371 962      701061        s-trans-Propenoic acid
  501012.8774  0.0308 -4.0646 3  698.4710143  72503 30371 962      70 961        s-trans-Propenoic acid
  501012.8774  0.0308 -4.0646 3  698.4710143  72503 303711062      701061        s-trans-Propenoic acid
  501012.8775  0.0308 -4.6020 3  698.4710143  72503 303711062      70 961        s-trans-Propenoic acid
  501074.7814  0.1856 -4.7367 3  932.5984133  72503 303663828      653827        s-trans-Propenoic acid
  501074.7814  0.1856 -4.7367 3  932.5984133  72503 303663829      653828        s-trans-Propenoic acid
  501199.1099  0.2023 -5.1544 3  788.9123117  72503 303583721      583622        s-trans-Propenoic acid
  501199.1099  0.2023 -5.1544 3  788.9123117  72503 303583722      583623        s-trans-Propenoic acid
  501257.1608  0.0299 -4.6268 3  693.0289141  72503 303701060      691159        s-trans-Propenoic acid
  501257.1629  0.0299 -4.0611 3  693.0289141  72503 303701160      691159        s-trans-Propenoic acid
  501257.1650  0.0299 -4.0611 3  693.0289141  72503 303701060      691059        s-trans-Propenoic acid
  501257.1671  0.0299 -4.6268 3  693.0289141  72503 303701160      691059        s-trans-Propenoic acid
  501327.0129  0.0054 -5.4524 3  204.4727 67  72503 30333 925      32 726        s-trans-Propenoic acid
  501350.1841  0.0476 -5.0020 3  679.4336133  72503 303661650      651749        s-trans-Propenoic acid
  501453.2751  0.1746 -4.6894 3  915.4855133  72503 303663729      653728        s-trans-Propenoic acid
  501453.2751  0.1746 -4.6894 3  915.4855133  72503 303663730      653729        s-trans-Propenoic acid
  501481.8700  0.1998 -5.1415 3  774.2396115  72503 303573720      573621        s-trans-Propenoic acid
  501481.8700  0.1998 -5.1415 3  774.2396115  72503 303573721      573622        s-trans-Propenoic acid
  501526.6755  0.0109 -4.9383 3  257.8517 77  72503 303381028      37 929        s-trans-Propenoic acid
  501626.0425  0.0289 -4.6548 3  686.9585139  72503 303691158      681257        s-trans-Propenoic acid
  501626.1068  0.0289 -4.0560 3  686.9585139  72503 303691258      681257        s-trans-Propenoic acid
  501626.1639  0.0289 -4.0560 3  686.9585139  72503 303691158      681157        s-trans-Propenoic acid
  501626.2282  0.0289 -4.6548 3  686.9585139  72503 303691258      681157        s-trans-Propenoic acid
  501751.5214  0.1977 -5.1300 3  759.8241113  72503 303563719      563620        s-trans-Propenoic acid
  501751.5214  0.1977 -5.1300 3  759.8241113  72503 303563720      563621        s-trans-Propenoic acid
  501787.4892  0.0597 -4.2173 3  731.2575131  72503 303652541      642540        s-trans-Propenoic acid
  501787.5092  0.0597 -4.2173 3  731.2575131  72503 303652540      642539        s-trans-Propenoic acid
  501853.7882  0.0318 -4.0077 3  248.4957 55  72503 3032722 5      2621 6        s-trans-Propenoic acid
  501853.7882  0.0318 -4.0077 3  248.4957 55  72503 3032722 6      2621 5        s-trans-Propenoic acid
  501859.1081  0.1638 -4.6435 3  898.8470133  72503 303663630      653629        s-trans-Propenoic acid
  501859.1081  0.1638 -4.6435 3  898.8470133  72503 303663631      653630        s-trans-Propenoic acid
  501991.5728  0.1673 -5.7634 3 1043.4962183  72503 30391 784      91 685        s-trans-Propenoic acid
  501991.5728  0.1673 -5.7634 3 1043.4962183  72503 30391 884      91 785        s-trans-Propenoic acid
  502008.5242  0.1959 -5.1200 3  745.6657111  72503 303553718      553619        s-trans-Propenoic acid
  502008.5242  0.1959 -5.1200 3  745.6657111  72503 303553719      553620        s-trans-Propenoic acid
  502011.3018  0.0094 -5.0306 3  234.6495 73  72503 30336 927      35 828        s-trans-Propenoic acid
  502184.1950  0.0278 -4.6871 3  680.2215137  72503 303681256      671355        s-trans-Propenoic acid
  502185.7435  0.0279 -4.0492 3  680.2215137  72503 303681356      671355        s-trans-Propenoic acid
  502187.0253  0.0279 -4.0492 3  680.2214137  72503 303681256      671255        s-trans-Propenoic acid
  502188.5738  0.0279 -4.6871 3  680.2214137  72503 303681356      671255        s-trans-Propenoic acid
  502253.3267  0.1945 -5.1118 3  731.7642109  72503 303543717      543618        s-trans-Propenoic acid
  502253.3267  0.1945 -5.1118 3  731.7642109  72503 303543718      543619        s-trans-Propenoic acid
  502295.9400  0.1532 -4.5992 3  882.6846133  72503 303663531      653530        s-trans-Propenoic acid
  502295.9400  0.1532 -4.5992 3  882.6846133  72503 303663532      653531        s-trans-Propenoic acid
  502398.9868  0.2793 -5.4858 3  828.3273147  72503 303731954      722053        s-trans-Propenoic acid
  502486.3650  0.1933 -5.1053 3  718.1194107  72503 303533716      533617        s-trans-Propenoic acid
  502486.3650  0.1933 -5.1053 3  718.1194107  72503 303533717      533618        s-trans-Propenoic acid
  502584.9077  0.0053 -5.1141 3  204.4307 67  72503 30333 925      32 626        s-trans-Propenoic acid
  502708.0640  0.1924 -5.1007 3  704.7309105  72503 303523715      523616        s-trans-Propenoic acid
  502708.0640  0.1924 -5.1007 3  704.7309105  72503 303523716      523617        s-trans-Propenoic acid
  502760.4452  0.1079 -5.1571 3  721.4093137  72503 303681751      671850        s-trans-Propenoic acid
  502768.0713  0.1430 -4.5562 3  867.0006133  72503 303663432      653431        s-trans-Propenoic acid
  502768.0713  0.1430 -4.5562 3  867.0006133  72503 303663433      653432        s-trans-Propenoic acid
  502918.8375  0.1917 -5.0983 3  691.5987103  72503 303513714      513615        s-trans-Propenoic acid
  502918.8375  0.1917 -5.0983 3  691.5987103  72503 303513715      513616        s-trans-Propenoic acid
  503016.2320  0.0266 -4.7266 3  672.7631135  72503 303671354      661453        s-trans-Propenoic acid
  503028.9162  0.0259 -4.0629 3  666.9552129  72503 303642045      632044        s-trans-Propenoic acid
  503046.1078  0.0268 -4.0403 3  672.7631135  72503 303671454      661453        s-trans-Propenoic acid
  503056.9695  0.0262 -4.0364 3  252.9458 59  72503 3032921 8      2820 9        s-trans-Propenoic acid
  503056.9695  0.0262 -4.0364 3  252.9458 59  72503 3032921 9      2820 8        s-trans-Propenoic acid
  503068.7416  0.0268 -4.0403 3  672.7614135  72503 303671354      661353        s-trans-Propenoic acid
  503098.6174  0.0270 -4.7264 3  672.7614135  72503 303671454      661353        s-trans-Propenoic acid
  503107.7143  0.1682 -5.7124 3  950.2431177  72503 30388 583      88 484        s-trans-Propenoic acid
  503107.7143  0.1682 -5.7124 3  950.2431177  72503 30388 683      88 584        s-trans-Propenoic acid
  503119.0887  0.1912 -5.0983 3  678.7224101  72503 303503713      503614        s-trans-Propenoic acid
  503119.0887  0.1912 -5.0983 3  678.7224101  72503 303503714      503615        s-trans-Propenoic acid
  503140.0292  0.0524 -4.1869 3  720.5769131  72503 303652442      642441        s-trans-Propenoic acid
  503140.2678  0.0524 -4.1869 3  720.5769131  72503 303652441      642440        s-trans-Propenoic acid
  503196.5481  0.5113 -5.8323 3 1256.4315167  72503 303833845      833746        s-trans-Propenoic acid
  503196.5481  0.5113 -5.8323 3 1256.4315167  72503 303833846      833747        s-trans-Propenoic acid
  503280.5942  0.1330 -4.5147 3  851.7976133  72503 303663333      653332        s-trans-Propenoic acid
  503280.5942  0.1330 -4.5147 3  851.7976133  72503 303663334      653333        s-trans-Propenoic acid
  503309.2102  0.1909 -5.1009 3  666.1020 99  72503 303493712      493613        s-trans-Propenoic acid
  503309.2102  0.1909 -5.1009 3  666.1020 99  72503 303493713      493614        s-trans-Propenoic acid
  503489.5847  0.1907 -5.1065 3  653.7371 97  72503 303483711      483612        s-trans-Propenoic acid
  503489.5847  0.1907 -5.1065 3  653.7371 97  72503 303483712      483613        s-trans-Propenoic acid
  503633.9625  0.1719 -5.7441 3  860.0430171  72503 30385 382      85 283        s-trans-Propenoic acid
  503633.9625  0.1719 -5.7441 3  860.0430171  72503 30385 482      85 383        s-trans-Propenoic acid
  503651.8464  0.0060 -4.4476 3  328.8676 87  72503 303431429      421330        s-trans-Propenoic acid
  503660.5849  0.1906 -5.1155 3  641.6276 95  72503 303473710      473611        s-trans-Propenoic acid
  503660.5849  0.1906 -5.1155 3  641.6276 95  72503 303473711      473612        s-trans-Propenoic acid
  503701.8235  0.0276 -3.9896 3  638.3110129  72503 303641549      631548        s-trans-Propenoic acid
  503718.9501  0.0256 -4.0618 3  666.9871129  72503 303642044      632043        s-trans-Propenoic acid
  503822.5739  0.1907 -5.1286 3  629.7734 93  72503 3034637 9      463610        s-trans-Propenoic acid
  503822.5739  0.1907 -5.1286 3  629.7734 93  72503 303463710      463611        s-trans-Propenoic acid
  503839.5910  0.1233 -4.4745 3  837.0784133  72503 303663234      653233        s-trans-Propenoic acid
  503839.5910  0.1233 -4.4745 3  837.0784133  72503 303663235      653234        s-trans-Propenoic acid
  503887.6803  0.0237 -4.7789 3  664.5045133  72503 303661452      651551        s-trans-Propenoic acid
  503942.6144  0.4880 -5.7959 3 1235.2612165  72503 303823844      823745        s-trans-Propenoic acid
  503942.6144  0.4880 -5.7959 3 1235.2612165  72503 303823845      823746        s-trans-Propenoic acid
  503975.9055  0.1908 -5.1464 3  618.1742 91  72503 3034537 8      4536 9        s-trans-Propenoic acid
  503975.9055  0.1908 -5.1464 3  618.1742 91  72503 3034537 9      453610        s-trans-Propenoic acid
  504120.9245  0.1911 -5.1700 3  606.8298 89  72503 3034437 7      4436 8        s-trans-Propenoic acid
  504120.9245  0.1911 -5.1700 3  606.8298 89  72503 3034437 8      4436 9        s-trans-Propenoic acid
  504195.5577  0.0212 -4.0684 3  258.9165 63  72503 303312011      301912        s-trans-Propenoic acid
  504195.5577  0.0212 -4.0684 3  258.9165 63  72503 303312012      301911        s-trans-Propenoic acid
  504217.1960  0.0089 -5.3672 3  234.5759 73  72503 30336 927      35 728        s-trans-Propenoic acid
  504257.9665  0.1914 -5.2008 3  595.7400 87  72503 3034337 6      4336 7        s-trans-Propenoic acid
  504257.9665  0.1914 -5.2008 3  595.7400 87  72503 3034337 7      4336 8        s-trans-Propenoic acid
  504297.1830  0.0068 -4.3353 3  312.7732 83  72503 303411527      401426        s-trans-Propenoic acid
  504304.9332  0.1739 -5.8231 3 1101.6966187  72503 30393 885      93 786        s-trans-Propenoic acid
  504304.9332  0.1739 -5.8231 3 1101.6966187  72503 30393 985      93 886        s-trans-Propenoic acid
  504337.7456  0.0255 -4.0289 3  664.5045133  72503 303661552      651551        s-trans-Propenoic acid
  504386.3439  0.0109 -4.7121 3  308.0683 85  72503 303421230      411131        s-trans-Propenoic acid
  504387.3585  0.1917 -5.2409 3  584.9048 85  72503 3034237 5      4236 6        s-trans-Propenoic acid
  504387.3585  0.1917 -5.2409 3  584.9048 85  72503 3034237 6      4236 7        s-trans-Propenoic acid
  504452.3990  0.1138 -4.4357 3  822.8466133  72503 303663135      653134        s-trans-Propenoic acid
  504452.3990  0.1138 -4.4357 3  822.8466133  72503 303663136      653135        s-trans-Propenoic acid
  504476.4040  0.4398 -5.8254 3 1311.5629135  72503 303675512      665511        s-trans-Propenoic acid
  504476.4040  0.4398 -5.8254 3 1311.5629135  72503 303675513      665512        s-trans-Propenoic acid
  504509.4188  0.1922 -5.2936 3  574.3239 83  72503 3034137 4      4136 5        s-trans-Propenoic acid
  504509.4188  0.1922 -5.2936 3  574.3239 83  72503 3034137 5      4136 6        s-trans-Propenoic acid
  504624.4573  0.1926 -5.3644 3  563.9971 81  72503 3034037 3      4036 4        s-trans-Propenoic acid
  504624.4573  0.1926 -5.3644 3  563.9971 81  72503 3034037 4      4036 5        s-trans-Propenoic acid
  504640.5842  0.0068 -4.3348 3  312.7636 83  72503 303411526      401427        s-trans-Propenoic acid
  504640.9473  0.0264 -4.0283 3  664.4794133  72503 303661452      651451        s-trans-Propenoic acid
  504660.9086  0.4659 -5.7603 3 1214.3550163  72503 303813843      813744        s-trans-Propenoic acid
  504660.9086  0.4659 -5.7603 3 1214.3550163  72503 303813844      813745        s-trans-Propenoic acid
  504663.7764  0.4230 -5.7418 3 1286.5480135  72503 303675413      665412        s-trans-Propenoic acid
  504663.7764  0.4230 -5.7418 3 1286.5480135  72503 303675414      665413        s-trans-Propenoic acid
  504732.7756  0.1931 -5.4636 3  553.9244 79  72503 3033937 2      3936 3        s-trans-Propenoic acid
  504732.7756  0.1931 -5.4636 3  553.9244 79  72503 3033937 3      3936 4        s-trans-Propenoic acid
  504737.8541  0.0454 -4.1575 3  710.4545131  72503 303652343      642342        s-trans-Propenoic acid
  504740.3555  0.0454 -4.1575 3  710.4545131  72503 303652342      642341        s-trans-Propenoic acid
  504834.6671  0.1936 -5.6142 3  544.1054 77  72503 3033837 1      3836 2        s-trans-Propenoic acid
  504834.6671  0.1936 -5.6142 3  544.1054 77  72503 3033837 2      3836 3        s-trans-Propenoic acid
  504855.9288  0.4065 -5.6618 3 1261.9937135  72503 303675314      665313        s-trans-Propenoic acid
  504855.9288  0.4065 -5.6618 3 1261.9937135  72503 303675315      665314        s-trans-Propenoic acid
  505009.9928  0.0187 -4.0041 3  645.5142129  72503 303641748      631747        s-trans-Propenoic acid
  505018.7393  0.0060 -5.1576 3  208.3757 67  72503 303331024      32 725        s-trans-Propenoic acid
  505053.3539  0.3904 -5.5849 3 1237.9003135  72503 303675215      665214        s-trans-Propenoic acid
  505053.3539  0.3904 -5.5849 3 1237.9003135  72503 303675216      665215        s-trans-Propenoic acid
  505091.0126  0.0283 -4.7768 3  664.4794133  72503 303661552      651451        s-trans-Propenoic acid
  505127.9708  0.1046 -4.3982 3  809.1062133  72503 303663036      653035        s-trans-Propenoic acid
  505127.9708  0.1046 -4.3982 3  809.1062133  72503 303663037      653036        s-trans-Propenoic acid
  505214.1877  0.0168 -4.1047 3  266.4286 67  72503 303331914      321815        s-trans-Propenoic acid
  505214.1877  0.0168 -4.1047 3  266.4286 67  72503 303331915      321814        s-trans-Propenoic acid
  505256.5949  0.3745 -5.5110 3 1214.2683135  72503 303675116      665115        s-trans-Propenoic acid
  505256.5949  0.3745 -5.5110 3 1214.2683135  72503 303675117      665116        s-trans-Propenoic acid
  505352.3445  0.4449 -5.7255 3 1193.7123161  72503 303803842      803743        s-trans-Propenoic acid
  505352.3445  0.4449 -5.7255 3 1193.7123161  72503 303803843      803744        s-trans-Propenoic acid
  505466.2515  0.3589 -5.4398 3 1191.0982135  72503 303675017      665016        s-trans-Propenoic acid
  505466.2515  0.3589 -5.4398 3 1191.0982135  72503 303675018      665017        s-trans-Propenoic acid
  505682.9879  0.3437 -5.3710 3 1168.3904135  72503 303674918      664917        s-trans-Propenoic acid
  505682.9879  0.3437 -5.3710 3 1168.3904135  72503 303674919      664918        s-trans-Propenoic acid
  505693.9021  0.0217 -4.0379 3  659.2828129  72503 303641946      631945        s-trans-Propenoic acid
  505725.3313  0.1740 -5.7463 3 1006.4155181  72503 30390 684      90 585        s-trans-Propenoic acid
  505725.3313  0.1740 -5.7463 3 1006.4155181  72503 30390 784      90 685        s-trans-Propenoic acid
  505744.4736  0.0230 -4.0152 3  655.3736131  72503 303651650      641649        s-trans-Propenoic acid
  505877.3772  0.0957 -4.3620 3  795.8624133  72503 303662937      652936        s-trans-Propenoic acid
  505877.3772  0.0957 -4.3620 3  795.8624133  72503 303662938      652937        s-trans-Propenoic acid
  505907.5409  0.3287 -5.3046 3 1146.1455135  72503 303674819      664818        s-trans-Propenoic acid
  505907.5409  0.3287 -5.3046 3 1146.1455135  72503 303674820      664819        s-trans-Propenoic acid
  506017.8004  0.4250 -5.6914 3 1173.3330159  72503 303793841      793742        s-trans-Propenoic acid
  506017.8004  0.4250 -5.6914 3 1173.3330159  72503 303793842      793743        s-trans-Propenoic acid
  506018.0735  0.0131 -4.1466 3  275.5116 71  72503 303351818      341717        s-trans-Propenoic acid
  506018.0740  0.0131 -4.1466 3  275.5116 71  72503 303351817      341718        s-trans-Propenoic acid
  506140.7303  0.3141 -5.2403 3 1124.3641135  72503 303674720      664719        s-trans-Propenoic acid
  506140.7303  0.3141 -5.2403 3 1124.3641135  72503 303674721      664720        s-trans-Propenoic acid
  506152.8057  0.0080 -4.2565 3  298.5899 79  72503 303391624      381523        s-trans-Propenoic acid
  506159.9169  0.0080 -4.2565 3  298.5897 79  72503 303391623      381524        s-trans-Propenoic acid
  506383.4703  0.2997 -5.1782 3 1103.0468135  72503 303674621      664620        s-trans-Propenoic acid
  506383.4703  0.2997 -5.1782 3 1103.0468135  72503 303674622      664621        s-trans-Propenoic acid
  506438.9235  0.0102 -4.1961 3  286.2093 75  72503 303371721      361620        s-trans-Propenoic acid
  506439.0053  0.0102 -4.1961 3  286.2093 75  72503 303371720      361621        s-trans-Propenoic acid
  506464.7101  0.0049 -5.5933 3  177.5555 57  72503 303281216      271017        s-trans-Propenoic acid
  506537.2468  0.1762 -5.7277 3  914.1679175  72503 30387 483      87 384        s-trans-Propenoic acid
  506537.2468  0.1762 -5.7277 3  914.1679175  72503 30387 583      87 484        s-trans-Propenoic acid
  506636.7837  0.2857 -5.1180 3 1082.1943135  72503 303674522      664521        s-trans-Propenoic acid
  506636.7837  0.2857 -5.1180 3 1082.1943135  72503 303674523      664522        s-trans-Propenoic acid
  506658.1220  0.4063 -5.6582 3 1153.2166157  72503 303783840      783741        s-trans-Propenoic acid
  506658.1220  0.4063 -5.6582 3 1153.2166157  72503 303783841      783742        s-trans-Propenoic acid
  506662.2776  0.0387 -4.1291 3  700.9156131  72503 303652244      642243        s-trans-Propenoic acid
  506685.0884  0.0387 -4.1291 3  700.9165131  72503 303652243      642242        s-trans-Propenoic acid
  506714.5250  0.0870 -4.3271 3  783.1210133  72503 303662838      652837        s-trans-Propenoic acid
  506714.5250  0.0870 -4.3271 3  783.1210133  72503 303662839      652838        s-trans-Propenoic acid
  506784.2705  0.1823 -5.8411 3  824.9922169  72503 30384 282      84 183        s-trans-Propenoic acid
  506784.2705  0.1823 -5.8411 3  824.9922169  72503 30384 382      84 283        s-trans-Propenoic acid
  506828.8499  0.0438 -4.0783 3  735.8065157  72503 30378 375      77 374        s-trans-Propenoic acid
  506828.8499  0.0438 -4.4995 3  735.8065157  72503 30378 375      77 474        s-trans-Propenoic acid
  506828.8499  0.0438 -4.4995 3  735.8065157  72503 30378 475      77 374        s-trans-Propenoic acid
  506828.8499  0.0438 -4.0783 3  735.8065157  72503 30378 475      77 474        s-trans-Propenoic acid
  506830.5667  0.0499 -4.0738 3  737.3593159  72503 30379 277      78 276        s-trans-Propenoic acid
  506830.5667  0.0499 -4.4815 3  737.3593159  72503 30379 277      78 376        s-trans-Propenoic acid
  506830.5667  0.0499 -4.4815 3  737.3593159  72503 30379 377      78 276        s-trans-Propenoic acid
  506830.5667  0.0499 -4.0738 3  737.3593159  72503 30379 377      78 376        s-trans-Propenoic acid
  506833.5636  0.0399 -4.0818 3  733.7295155  72503 30377 473      76 472        s-trans-Propenoic acid
  506833.5636  0.0399 -4.5176 3  733.7295155  72503 30377 473      76 572        s-trans-Propenoic acid
  506833.5636  0.0399 -4.5176 3  733.7295155  72503 30377 573      76 472        s-trans-Propenoic acid
  506833.5636  0.0399 -4.0818 3  733.7295155  72503 30377 573      76 572        s-trans-Propenoic acid
  506835.0918  0.0586 -4.0682 3  738.3936161  72503 30380 179      79 178        s-trans-Propenoic acid
  506835.0918  0.0586 -4.4635 3  738.3936161  72503 30380 179      79 278        s-trans-Propenoic acid
  506835.0918  0.0586 -4.4635 3  738.3936161  72503 30380 279      79 178        s-trans-Propenoic acid
  506835.0918  0.0586 -4.0682 3  738.3936161  72503 30380 279      79 278        s-trans-Propenoic acid
  506839.6337  0.0705 -4.0617 3  738.9144163  72503 30381 081      80 080        s-trans-Propenoic acid
  506839.6337  0.0705 -4.4454 3  738.9144163  72503 30381 081      80 180        s-trans-Propenoic acid
  506839.6337  0.0705 -4.4454 3  738.9144163  72503 30381 181      80 080        s-trans-Propenoic acid
  506839.6337  0.0705 -4.0617 3  738.9144163  72503 30381 181      80 180        s-trans-Propenoic acid
  506849.4645  0.0375 -4.0842 3  731.1216153  72503 30376 571      75 570        s-trans-Propenoic acid
  506849.4645  0.0375 -4.5360 3  731.1216153  72503 30376 571      75 670        s-trans-Propenoic acid
  506849.4645  0.0375 -4.5360 3  731.1216153  72503 30376 671      75 570        s-trans-Propenoic acid
  506849.4645  0.0375 -4.0842 3  731.1216153  72503 30376 671      75 670        s-trans-Propenoic acid
  506882.8887  0.0360 -4.0856 3  727.9744151  72503 30375 669      74 668        s-trans-Propenoic acid
  506882.8887  0.0360 -4.5549 3  727.9744151  72503 30375 669      74 768        s-trans-Propenoic acid
  506882.8887  0.0360 -4.5549 3  727.9744151  72503 30375 769      74 668        s-trans-Propenoic acid
  506882.8887  0.0360 -4.0856 3  727.9744151  72503 30375 769      74 768        s-trans-Propenoic acid
  506887.8033  0.0049 -5.5927 3  177.5412 57  72503 303281217      271018        s-trans-Propenoic acid
  506900.1857  0.0492 -4.7586 3  476.1467109  72503 303541540      531439        s-trans-Propenoic acid
  506901.8180  0.2719 -5.0597 3 1061.8072135  72503 303674423      664422        s-trans-Propenoic acid
  506901.8180  0.2719 -5.0597 3 1061.8072135  72503 303674424      664423        s-trans-Propenoic acid
  506909.6845  0.0449 -3.9584 3  249.8976 49  72503 3032424 0      2323 1        s-trans-Propenoic acid
  506909.6845  0.0449 -3.9584 3  249.8976 49  72503 3032424 1      2323 0        s-trans-Propenoic acid
  506942.4162  0.0350 -4.0858 3  724.2778149  72503 30374 767      73 766        s-trans-Propenoic acid
  506942.4162  0.0350 -4.5744 3  724.2778149  72503 30374 767      73 866        s-trans-Propenoic acid
  506942.4162  0.0350 -4.5744 3  724.2778149  72503 30374 867      73 766        s-trans-Propenoic acid
  506942.4162  0.0350 -4.0858 3  724.2778149  72503 30374 867      73 866        s-trans-Propenoic acid
  506980.8020  0.0189 -4.0172 3  652.2257129  72503 303641847      631846        s-trans-Propenoic acid
  507039.9033  0.0342 -4.0849 3  720.0192147  72503 30373 865      72 864        s-trans-Propenoic acid
  507039.9033  0.0342 -4.5950 3  720.0192147  72503 30373 865      72 964        s-trans-Propenoic acid
  507039.9033  0.0342 -4.5950 3  720.0192147  72503 30373 965      72 864        s-trans-Propenoic acid
  507039.9033  0.0342 -4.0849 3  720.0192147  72503 30373 965      72 964        s-trans-Propenoic acid
  507179.8646  0.2584 -5.0031 3 1041.8865135  72503 303674324      664323        s-trans-Propenoic acid
  507179.8646  0.2584 -5.0031 3 1041.8865135  72503 303674325      664324        s-trans-Propenoic acid
  507192.1462  0.0333 -4.0827 3  715.1830145  72503 30372 963      71 962        s-trans-Propenoic acid
  507192.1462  0.0333 -4.6170 3  715.1830145  72503 30372 963      711062        s-trans-Propenoic acid
  507192.1462  0.0333 -4.0827 3  715.1830145  72503 303721063      711062        s-trans-Propenoic acid
  507192.1463  0.0333 -4.6170 3  715.1830145  72503 303721063      71 962        s-trans-Propenoic acid
  507259.0593  0.0225 -3.9457 3  614.1878125  72503 303621745      611744        s-trans-Propenoic acid
  507274.1238  0.3886 -5.6257 3 1133.3628155  72503 303773839      773740        s-trans-Propenoic acid
  507274.1238  0.3886 -5.6257 3 1133.3628155  72503 303773840      773741        s-trans-Propenoic acid
  507286.5227  0.0155 -3.9341 3  609.8798125  72503 303621646      611645        s-trans-Propenoic acid
  507423.7024  0.0324 -4.6409 3  709.7490143  72503 303711061      701160        s-trans-Propenoic acid
  507423.7035  0.0324 -4.0791 3  709.7490143  72503 303711161      701160        s-trans-Propenoic acid
  507423.7045  0.0324 -4.0791 3  709.7490143  72503 303711061      701060        s-trans-Propenoic acid
  507423.7056  0.0324 -4.6409 3  709.7490143  72503 303711161      701060        s-trans-Propenoic acid
  507431.1475  0.0097 -5.2653 3  257.6547 77  72503 303381028      37 829        s-trans-Propenoic acid
  507472.3824  0.2453 -4.9484 3 1022.4330135  72503 303674225      664224        s-trans-Propenoic acid
  507472.3824  0.2453 -4.9484 3 1022.4330135  72503 303674226      664225        s-trans-Propenoic acid
  507657.2188  0.0786 -4.2934 3  770.8894133  72503 303662740      652739        s-trans-Propenoic acid
  507657.2190  0.0786 -4.2934 3  770.8894133  72503 303662739      652738        s-trans-Propenoic acid
  507771.9587  0.0314 -4.6677 3  703.6909141  72503 303701159      691258        s-trans-Propenoic acid
  507771.9925  0.0314 -4.0740 3  703.6909141  72503 303701259      691258        s-trans-Propenoic acid
  507772.0229  0.0314 -4.0740 3  703.6909141  72503 303701159      691158        s-trans-Propenoic acid
  507772.0568  0.0314 -4.6677 3  703.6909141  72503 303701259      691158        s-trans-Propenoic acid
  507781.0251  0.2324 -4.8953 3 1003.4477135  72503 303674126      664125        s-trans-Propenoic acid
  507781.0251  0.2324 -4.8953 3 1003.4477135  72503 303674127      664126        s-trans-Propenoic acid
  507866.5912  0.3719 -5.5940 3 1113.7713153  72503 303763838      763739        s-trans-Propenoic acid
  507866.5912  0.3719 -5.5940 3 1113.7713153  72503 303763839      763740        s-trans-Propenoic acid
  508107.6749  0.2198 -4.8438 3  984.9316135  72503 303674027      664026        s-trans-Propenoic acid
  508107.6749  0.2198 -4.8438 3  984.9316135  72503 303674028      664027        s-trans-Propenoic acid
  508154.6129  0.0379 -3.9830 3  251.8580 53  72503 3032623 3      2522 4        s-trans-Propenoic acid
  508154.6129  0.0379 -3.9830 3  251.8580 53  72503 3032623 4      2522 3        s-trans-Propenoic acid
  508196.2713  0.1804 -5.7955 3 1063.9140185  72503 30392 785      92 686        s-trans-Propenoic acid
  508196.2713  0.1804 -5.7955 3 1063.9140185  72503 30392 885      92 786        s-trans-Propenoic acid
  508220.7788  0.0262 -3.9884 3  636.2297127  72503 303631845      621844        s-trans-Propenoic acid
  508296.2443  0.0303 -4.6986 3  696.9726139  72503 303691257      681356        s-trans-Propenoic acid
  508297.0867  0.0303 -4.0672 3  696.9726139  72503 303691357      681356        s-trans-Propenoic acid
  508297.7928  0.0303 -4.0672 3  696.9726139  72503 303691257      681256        s-trans-Propenoic acid
  508298.6352  0.0303 -4.6986 3  696.9726139  72503 303691357      681256        s-trans-Propenoic acid
  508436.2821  0.3563 -5.5632 3 1094.4417151  72503 303753837      753738        s-trans-Propenoic acid
  508436.2821  0.3563 -5.5632 3 1094.4417151  72503 303753838      753739        s-trans-Propenoic acid
  508454.4837  0.2076 -4.7939 3  966.8861135  72503 303673928      663927        s-trans-Propenoic acid
  508454.4837  0.2076 -4.7939 3  966.8861135  72503 303673929      663928        s-trans-Propenoic acid
  508471.9143  0.0054 -5.3875 3  212.6071 67  72503 303331123      32 924        s-trans-Propenoic acid
  508549.6436  0.0290 -4.0097 3  655.1127131  72503 303651550      641549        s-trans-Propenoic acid
  508659.4562  0.0165 -4.8599 3  672.2434133  72503 303661551      651650        s-trans-Propenoic acid
  508728.7871  0.0705 -4.2609 3  759.1770133  72503 303662641      652640        s-trans-Propenoic acid
  508728.7904  0.0705 -4.2609 3  759.1770133  72503 303662640      652639        s-trans-Propenoic acid
  508783.7939  0.3854 -5.6343 3  894.6950153  72503 303762056      752155        s-trans-Propenoic acid
  508823.9230  0.1956 -4.7456 3  949.3124135  72503 303673829      663828        s-trans-Propenoic acid
  508823.9230  0.1956 -4.7456 3  949.3124135  72503 303673830      663829        s-trans-Propenoic acid
  508983.9280  0.3416 -5.5332 3 1075.3737149  72503 303743836      743737        s-trans-Propenoic acid
  508983.9280  0.3416 -5.5332 3 1075.3737149  72503 303743837      743738        s-trans-Propenoic acid
  509008.2871  0.0324 -4.1016 3  691.9950131  72503 303652145      642144        s-trans-Propenoic acid
  509082.4590  0.0291 -4.7358 3  689.5429137  72503 303681355      671454        s-trans-Propenoic acid
  509099.3327  0.0292 -4.0584 3  689.5429137  72503 303681455      671454        s-trans-Propenoic acid
  509112.3348  0.0292 -4.0584 3  689.5419137  72503 303681355      671354        s-trans-Propenoic acid
  509129.2086  0.0293 -4.7357 3  689.5419137  72503 303681455      671354        s-trans-Propenoic acid
  509185.6307  0.0323 -4.1013 3  692.0025131  72503 303652144      642143        s-trans-Propenoic acid
  509218.8464  0.1839 -4.6987 3  932.2122135  72503 303673730      663729        s-trans-Propenoic acid
  509218.8464  0.1839 -4.6987 3  932.2122135  72503 303673731      663730        s-trans-Propenoic acid
  509300.8267  0.1816 -5.7423 3  969.6286179  72503 30389 584      89 485        s-trans-Propenoic acid
  509300.8267  0.1816 -5.7423 3  969.6286179  72503 30389 684      89 585        s-trans-Propenoic acid
  509344.9119  0.0238 -4.0320 3  659.4855129  72503 303641945      631944        s-trans-Propenoic acid
  509382.2095  0.0315 -4.0096 3  255.3165 57  72503 3032822 6      2721 7        s-trans-Propenoic acid
  509382.2095  0.0315 -4.0096 3  255.3165 57  72503 3032822 7      2721 6        s-trans-Propenoic acid
  509423.3336  0.0055 -5.3814 3  217.1233 69  72503 303341025      33 826        s-trans-Propenoic acid
  509510.2361  0.3280 -5.5040 3 1056.5671147  72503 303733835      733736        s-trans-Propenoic acid
  509510.2361  0.3280 -5.5040 3 1056.5671147  72503 303733836      733737        s-trans-Propenoic acid
  509642.5674  0.1725 -4.6534 3  915.5872135  72503 303673631      663630        s-trans-Propenoic acid
  509642.5674  0.1725 -4.6534 3  915.5872135  72503 303673632      663631        s-trans-Propenoic acid
  509823.5892  0.1855 -5.7719 3  878.3960173  72503 30386 383      86 284        s-trans-Propenoic acid
  509823.5892  0.1855 -5.7719 3  878.3960173  72503 30386 483      86 384        s-trans-Propenoic acid
  509960.6876  0.0625 -4.2295 3  747.9954133  72503 303662542      652541        s-trans-Propenoic acid
  509960.7295  0.0625 -4.2295 3  747.9954133  72503 303662541      652540        s-trans-Propenoic acid
  510015.8900  0.3153 -5.4757 3 1038.0214145  72503 303723834      723735        s-trans-Propenoic acid
  510015.8900  0.3153 -5.4757 3 1038.0214145  72503 303723835      723736        s-trans-Propenoic acid
  510051.5448  0.0268 -4.7841 3  681.3274135  72503 303671453      661552        s-trans-Propenoic acid
  510098.9580  0.1613 -4.6094 3  899.4394135  72503 303673532      663531        s-trans-Propenoic acid
  510098.9580  0.1613 -4.6094 3  899.4394135  72503 303673533      663532        s-trans-Propenoic acid
  510317.7390  0.0280 -4.0471 3  681.3274135  72503 303671553      661552        s-trans-Propenoic acid
  510501.5515  0.3035 -5.4482 3 1019.7365143  72503 303713833      713734        s-trans-Propenoic acid
  510501.5515  0.3035 -5.4482 3 1019.7365143  72503 303713834      713735        s-trans-Propenoic acid
  510501.6101  0.0286 -4.0468 3  681.3124135  72503 303671453      661452        s-trans-Propenoic acid
  510570.3641  0.0259 -4.0391 3  260.2847 61  72503 3033021 9      292010        s-trans-Propenoic acid
  510570.3641  0.0259 -4.0391 3  260.2847 61  72503 303302110      2920 9        s-trans-Propenoic acid
  510592.5751  0.1505 -4.5669 3  883.7712135  72503 303673433      663432        s-trans-Propenoic acid
  510592.5751  0.1505 -4.5669 3  883.7712135  72503 303673434      663433        s-trans-Propenoic acid
  510679.2034  0.0073 -4.3526 3  323.4478 85  72503 303421528      411427        s-trans-Propenoic acid
  510762.4168  0.0068 -5.8146 3  155.9653 49  72503 303241311      231112        s-trans-Propenoic acid
  510763.4143  0.0068 -5.8146 3  155.9653 49  72503 303241312      231113        s-trans-Propenoic acid
  510767.8043  0.0299 -4.7828 3  681.3124135  72503 303671553      661452        s-trans-Propenoic acid
  510967.8611  0.2926 -5.4217 3 1001.7119141  72503 303703832      703733        s-trans-Propenoic acid
  510967.8611  0.2926 -5.4217 3 1001.7119141  72503 303703833      703734        s-trans-Propenoic acid
  511095.9425  0.0598 -4.8437 3  621.6614127  72503 303631648      621547        s-trans-Propenoic acid
  511128.8237  0.1400 -4.5257 3  868.5852135  72503 303673334      663333        s-trans-Propenoic acid
  511128.8237  0.1400 -4.5257 3  868.5852135  72503 303673335      663334        s-trans-Propenoic acid
  511333.7072  0.0072 -4.3516 3  323.4297 85  72503 303421527      411428        s-trans-Propenoic acid
  511396.8311  0.0548 -4.1993 3  737.3598133  72503 303662443      652442        s-trans-Propenoic acid
  511397.3083  0.0548 -4.1993 3  737.3598133  72503 303662442      652441        s-trans-Propenoic acid
  511415.4395  0.2825 -5.3960 3  983.9475139  72503 303693831      693732        s-trans-Propenoic acid
  511415.4395  0.2825 -5.3960 3  983.9475139  72503 303693832      693733        s-trans-Propenoic acid
  511522.9855  0.0528 -4.8429 3  638.3110129  72503 303641649      631548        s-trans-Propenoic acid
  511681.9356  0.0209 -4.0721 3  266.7788 65  72503 303322012      311913        s-trans-Propenoic acid
  511681.9356  0.0209 -4.0721 3  266.7788 65  72503 303322013      311912        s-trans-Propenoic acid
  511714.1736  0.1297 -4.4859 3  853.8847135  72503 303673235      663234        s-trans-Propenoic acid
  511714.1736  0.1297 -4.4859 3  853.8847135  72503 303673236      663235        s-trans-Propenoic acid
  511750.6632  0.0269 -4.0751 3  683.7344131  72503 303652046      642045        s-trans-Propenoic acid
  511789.7775  0.0064 -4.4751 3  340.1543 89  72503 303441430      431331        s-trans-Propenoic acid
  511821.6430  0.0258 -4.0333 3  672.2434133  72503 303661651      651650        s-trans-Propenoic acid
  511844.8884  0.2733 -5.3713 3  966.4429137  72503 303683830      683731        s-trans-Propenoic acid
  511844.8884  0.2733 -5.3713 3  966.4429137  72503 303683831      683732        s-trans-Propenoic acid
  511868.0788  0.0213 -4.0205 3  662.3595131  72503 303651749      641748        s-trans-Propenoic acid
  511904.6424  0.0050 -5.5541 3  184.8283 59  72503 303291217      281018        s-trans-Propenoic acid
  511922.2155  0.1876 -5.7776 3 1026.4203183  72503 30391 685      91 586        s-trans-Propenoic acid
  511922.2155  0.1876 -5.7776 3 1026.4203183  72503 30391 785      91 686        s-trans-Propenoic acid
  512067.2277  0.4632 -5.8159 3 1328.3904137  72503 303685513      675512        s-trans-Propenoic acid
  512067.2277  0.4632 -5.8159 3 1328.3904137  72503 303685514      675513        s-trans-Propenoic acid
  512256.7913  0.2649 -5.3476 3  949.1979135  72503 303673829      673730        s-trans-Propenoic acid
  512256.7913  0.2649 -5.3476 3  949.1979135  72503 303673830      673731        s-trans-Propenoic acid
  512260.7418  0.4456 -5.7349 3 1303.3818137  72503 303685414      675413        s-trans-Propenoic acid
  512260.7418  0.4456 -5.7349 3 1303.3818137  72503 303685415      675414        s-trans-Propenoic acid
  512282.2658  0.0059 -5.1902 3  199.8406 67  72503 30333 726      32 627        s-trans-Propenoic acid
  512356.4484  0.1197 -4.4474 3  839.6733135  72503 303673136      663135        s-trans-Propenoic acid
  512356.4484  0.1197 -4.4474 3  839.6733135  72503 303673137      663136        s-trans-Propenoic acid
  512398.6887  0.0059 -5.5588 3  199.8367 67  72503 30333 726      32 527        s-trans-Propenoic acid
  512459.3021  0.4282 -5.6570 3 1278.8339137  72503 303685315      675314        s-trans-Propenoic acid
  512459.3021  0.4282 -5.6570 3 1278.8339137  72503 303685316      675315        s-trans-Propenoic acid
  512643.9869  0.0674 -4.8448 3  605.1562125  72503 303621647      611546        s-trans-Propenoic acid
  512651.7147  0.2573 -5.3248 3  932.2122133  72503 303663828      663729        s-trans-Propenoic acid
  512651.7147  0.2573 -5.3248 3  932.2122133  72503 303663829      663730        s-trans-Propenoic acid
  512654.5493  0.0166 -4.1097 3  274.8212 69  72503 303341915      331816        s-trans-Propenoic acid
  512654.5493  0.0166 -4.1097 3  274.8212 69  72503 303341916      331815        s-trans-Propenoic acid
  512663.4248  0.4112 -5.5821 3 1254.7471137  72503 303685216      675215        s-trans-Propenoic acid
  512663.4248  0.4112 -5.5821 3 1254.7471137  72503 303685217      675216        s-trans-Propenoic acid
  512727.0557  0.1901 -5.7569 3  933.1404177  72503 30388 484      88 385        s-trans-Propenoic acid
  512727.0557  0.1901 -5.7569 3  933.1404177  72503 30388 584      88 485        s-trans-Propenoic acid
  512737.3477  0.0050 -5.5531 3  184.8001 59  72503 303291218      281019        s-trans-Propenoic acid
  512873.6790  0.3945 -5.5098 3 1231.1219137  72503 303685117      675116        s-trans-Propenoic acid
  512873.6790  0.3945 -5.5098 3 1231.1219137  72503 303685118      675117        s-trans-Propenoic acid
  512883.9231  0.0266 -4.0733 3  683.7894131  72503 303652045      642044        s-trans-Propenoic acid
  512968.2791  0.0205 -3.9538 3  626.8011127  72503 303631647      621646        s-trans-Propenoic acid
  513027.4849  0.0473 -4.0975 3  752.7125159  72503 30379 376      78 375        s-trans-Propenoic acid
  513027.4849  0.0473 -4.5181 3  752.7125159  72503 30379 376      78 475        s-trans-Propenoic acid
  513027.4849  0.0473 -4.5181 3  752.7125159  72503 30379 476      78 375        s-trans-Propenoic acid
  513027.4849  0.0473 -4.0975 3  752.7125159  72503 30379 476      78 475        s-trans-Propenoic acid
  513029.5379  0.0538 -4.0931 3  754.2653161  72503 30380 278      79 277        s-trans-Propenoic acid
  513029.5379  0.0538 -4.5004 3  754.2653161  72503 30380 278      79 377        s-trans-Propenoic acid
  513029.5379  0.0538 -4.5004 3  754.2653161  72503 30380 378      79 277        s-trans-Propenoic acid
  513029.5379  0.0538 -4.0931 3  754.2653161  72503 30380 378      79 377        s-trans-Propenoic acid
  513030.2084  0.2504 -5.3030 3  915.4855131  72503 303653827      653728        s-trans-Propenoic acid
  513030.2084  0.2504 -5.3030 3  915.4855131  72503 303653828      653729        s-trans-Propenoic acid
  513031.5490  0.0430 -4.1009 3  750.6357157  72503 30378 474      77 473        s-trans-Propenoic acid
  513031.5490  0.0430 -4.5359 3  750.6357157  72503 30378 474      77 573        s-trans-Propenoic acid
  513031.5490  0.0430 -4.5359 3  750.6357157  72503 30378 574      77 473        s-trans-Propenoic acid
  513031.5490  0.0430 -4.1009 3  750.6357157  72503 30378 574      77 573        s-trans-Propenoic acid
  513034.2031  0.0631 -4.0877 3  755.2998163  72503 30381 180      80 179        s-trans-Propenoic acid
  513034.2031  0.0631 -4.4827 3  755.2998163  72503 30381 180      80 279        s-trans-Propenoic acid
  513034.2031  0.0631 -4.4827 3  755.2998163  72503 30381 280      80 179        s-trans-Propenoic acid
  513034.2031  0.0631 -4.0877 3  755.2998163  72503 30381 280      80 279        s-trans-Propenoic acid
  513038.7681  0.0758 -4.0812 3  755.8208165  72503 30382 082      81 081        s-trans-Propenoic acid
  513038.7681  0.0758 -4.4648 3  755.8208165  72503 30382 082      81 181        s-trans-Propenoic acid
  513038.7681  0.0758 -4.4648 3  755.8208165  72503 30382 182      81 081        s-trans-Propenoic acid
  513038.7681  0.0758 -4.0812 3  755.8208165  72503 30382 182      81 181        s-trans-Propenoic acid
  513046.3135  0.0404 -4.1033 3  748.0283155  72503 30377 572      76 571        s-trans-Propenoic acid
  513046.3135  0.0404 -4.5539 3  748.0283155  72503 30377 572      76 671        s-trans-Propenoic acid
  513046.3135  0.0404 -4.5539 3  748.0283155  72503 30377 672      76 571        s-trans-Propenoic acid
  513046.3135  0.0404 -4.1033 3  748.0283155  72503 30377 672      76 671        s-trans-Propenoic acid
  513065.2227  0.1100 -4.4102 3  825.9555135  72503 303673037      663036        s-trans-Propenoic acid
  513065.2227  0.1100 -4.4102 3  825.9555135  72503 303673038      663037        s-trans-Propenoic acid
  513077.8546  0.0387 -4.1046 3  744.8822153  72503 30376 670      75 669        s-trans-Propenoic acid
  513077.8546  0.0387 -4.5724 3  744.8822153  72503 30376 670      75 769        s-trans-Propenoic acid
  513077.8546  0.0387 -4.5724 3  744.8822153  72503 30376 770      75 669        s-trans-Propenoic acid
  513077.8546  0.0387 -4.1046 3  744.8822153  72503 30376 770      75 769        s-trans-Propenoic acid
  513090.6932  0.3781 -5.4401 3 1207.9587137  72503 303685018      675017        s-trans-Propenoic acid
  513090.6932  0.3781 -5.4401 3 1207.9587137  72503 303685019      675018        s-trans-Propenoic acid
  513100.4666  0.0474 -4.1701 3  727.2907133  72503 303662344      652343        s-trans-Propenoic acid
  513105.2456  0.0474 -4.1701 3  727.2909133  72503 303662343      652342        s-trans-Propenoic acid
  513134.3581  0.0377 -4.1047 3  741.1875151  72503 30375 768      74 767        s-trans-Propenoic acid
  513134.3581  0.0377 -4.5915 3  741.1875151  72503 30375 768      74 867        s-trans-Propenoic acid
  513134.3581  0.0377 -4.5915 3  741.1875151  72503 30375 868      74 767        s-trans-Propenoic acid
  513134.3581  0.0377 -4.1047 3  741.1875151  72503 30375 868      74 867        s-trans-Propenoic acid
  513151.2120  0.0082 -4.2684 3  308.6505 81  72503 303401625      391524        s-trans-Propenoic acid
  513166.5681  0.0082 -4.2683 3  308.6501 81  72503 303401624      391525        s-trans-Propenoic acid
  513227.0678  0.0368 -4.1036 3  736.9322149  72503 30374 866      73 865        s-trans-Propenoic acid
  513227.0678  0.0368 -4.6114 3  736.9322149  72503 30374 866      73 965        s-trans-Propenoic acid
  513227.0678  0.0368 -4.6114 3  736.9322149  72503 30374 966      73 865        s-trans-Propenoic acid
  513227.0678  0.0368 -4.1036 3  736.9322149  72503 30374 966      73 965        s-trans-Propenoic acid
  513298.3378  0.5121 -5.7874 3  963.7791159  72503 303792158      782257        s-trans-Propenoic acid
  513315.1636  0.3620 -5.3726 3 1185.2582137  72503 303684919      674918        s-trans-Propenoic acid
  513315.1636  0.3620 -5.3726 3 1185.2582137  72503 303684920      674919        s-trans-Propenoic acid
  513371.8015  0.0360 -4.1014 3  732.1011147  72503 30373 964      72 963        s-trans-Propenoic acid
  513371.8015  0.0360 -4.6327 3  732.1011147  72503 30373 964      721063        s-trans-Propenoic acid
  513371.8015  0.0360 -4.6327 3  732.1011147  72503 303731064      72 963        s-trans-Propenoic acid
  513371.8015  0.0360 -4.1014 3  732.1011147  72503 303731064      721063        s-trans-Propenoic acid
  513381.4892  0.0130 -4.1532 3  284.4441 73  72503 303361819      351718        s-trans-Propenoic acid
  513381.4907  0.0130 -4.1532 3  284.4441 73  72503 303361818      351719        s-trans-Propenoic acid
  513392.8067  0.2442 -5.2823 3  899.0176129  72503 303643826      643727        s-trans-Propenoic acid
  513392.8067  0.2442 -5.2823 3  899.0176129  72503 303643827      643728        s-trans-Propenoic acid
  513445.5406  0.0317 -4.9763 3  696.7285135  72503 303671651      661750        s-trans-Propenoic acid
  513547.8628  0.3462 -5.3074 3 1163.0208137  72503 303684820      674819        s-trans-Propenoic acid
  513547.8628  0.3462 -5.3074 3 1163.0208137  72503 303684821      674820        s-trans-Propenoic acid
  513565.6355  0.0471 -4.8432 3  655.1127131  72503 303651650      641549        s-trans-Propenoic acid
  513591.4899  0.0351 -4.6559 3  726.6748145  72503 303721062      711161        s-trans-Propenoic acid
  513591.4905  0.0351 -4.0977 3  726.6748145  72503 303721162      711161        s-trans-Propenoic acid
  513591.4910  0.0351 -4.0977 3  726.6748145  72503 303721062      711061        s-trans-Propenoic acid
  513591.4916  0.0351 -4.6559 3  726.6748145  72503 303721162      711061        s-trans-Propenoic acid
  513672.2182  0.0102 -4.2048 3  295.6955 77  72503 303381722      371621        s-trans-Propenoic acid
  513672.4192  0.0102 -4.2048 3  295.6955 77  72503 303381721      371622        s-trans-Propenoic acid
  513675.4481  0.0305 -4.0298 3  672.0761133  72503 303661551      651550        s-trans-Propenoic acid
  513740.0287  0.2387 -5.2627 3  882.8082127  72503 303633825      633726        s-trans-Propenoic acid
  513740.0287  0.2387 -5.2627 3  882.8082127  72503 303633826      633727        s-trans-Propenoic acid
  513789.6505  0.3308 -5.2442 3 1141.2472137  72503 303684721      674720        s-trans-Propenoic acid
  513789.6505  0.3308 -5.2442 3 1141.2472137  72503 303684722      674721        s-trans-Propenoic acid
  513791.6358  0.0054 -5.6383 3  162.6740 61  72503 30330 426      29 327        s-trans-Propenoic acid
  513819.9125  0.0054 -5.6382 3  162.6740 61  72503 30330 526      29 227        s-trans-Propenoic acid
  513852.3787  0.1005 -4.3743 3  812.7366135  72503 303672938      662937        s-trans-Propenoic acid
  513852.3787  0.1005 -4.3743 3  812.7366135  72503 303672939      662938        s-trans-Propenoic acid
  513920.6820  0.0341 -4.6816 3  720.6284143  72503 303711160      701259        s-trans-Propenoic acid
  513920.6997  0.0341 -4.0926 3  720.6284143  72503 303711260      701259        s-trans-Propenoic acid
  513920.7158  0.0341 -4.0926 3  720.6284143  72503 303711160      701159        s-trans-Propenoic acid
  513920.7336  0.0341 -4.6816 3  720.6284143  72503 303711260      701159        s-trans-Propenoic acid
  514041.4860  0.3156 -5.1830 3 1119.9379137  72503 303684622      674621        s-trans-Propenoic acid
  514041.4860  0.3156 -5.1830 3 1119.9379137  72503 303684623      674622        s-trans-Propenoic acid
  514072.3791  0.2337 -5.2442 3  866.8571125  72503 303623824      623725        s-trans-Propenoic acid
  514072.3791  0.2337 -5.2442 3  866.8571125  72503 303623825      623726        s-trans-Propenoic acid
  514265.2101  0.0227 -4.0507 3  676.1510131  72503 303651947      641946        s-trans-Propenoic acid
  514304.4427  0.3008 -5.1237 3 1099.0938137  72503 303684523      674522        s-trans-Propenoic acid
  514304.4427  0.3008 -5.1237 3 1099.0938137  72503 303684524      674523        s-trans-Propenoic acid
  514390.3488  0.2294 -5.2269 3  851.1640123  72503 303613823      613724        s-trans-Propenoic acid
  514390.3488  0.2294 -5.2269 3  851.1640123  72503 303613824      613725        s-trans-Propenoic acid
  514398.7350  0.1943 -5.8281 3 1084.5381187  72503 30393 786      93 687        s-trans-Propenoic acid
  514398.7350  0.1943 -5.8281 3 1084.5381187  72503 30393 886      93 787        s-trans-Propenoic acid
  514413.7626  0.0329 -4.7110 3  713.9276141  72503 303701258      691357        s-trans-Propenoic acid
  514414.2183  0.0329 -4.0858 3  713.9276141  72503 303701358      691357        s-trans-Propenoic acid
  514414.6049  0.0329 -4.0858 3  713.9276141  72503 303701258      691257        s-trans-Propenoic acid
  514415.0606  0.0329 -4.7110 3  713.9276141  72503 303701358      691257        s-trans-Propenoic acid
  514446.9936  0.0445 -3.9599 3  255.9469 51  72503 3032524 1      2423 2        s-trans-Propenoic acid
  514446.9936  0.0445 -3.9599 3  255.9469 51  72503 3032524 2      2423 1        s-trans-Propenoic acid
  514545.2321  0.0090 -4.6141 3  335.1310 89  72503 303441331      431232        s-trans-Propenoic acid
  514579.7255  0.2863 -5.0661 3 1078.7157137  72503 303684424      674423        s-trans-Propenoic acid
  514579.7255  0.2863 -5.0661 3 1078.7157137  72503 303684425      674424        s-trans-Propenoic acid
  514694.4154  0.2256 -5.2108 3  835.7287121  72503 303603822      603723        s-trans-Propenoic acid
  514694.4154  0.2256 -5.2108 3  835.7287121  72503 303603823      603724        s-trans-Propenoic acid
  514732.9082  0.0914 -4.3396 3  800.0232135  72503 303672839      662838        s-trans-Propenoic acid
  514732.9082  0.0914 -4.3396 3  800.0232135  72503 303672840      662839        s-trans-Propenoic acid
  514851.5546  0.0204 -4.0317 3  669.1368131  72503 303651848      641847        s-trans-Propenoic acid
  514868.6911  0.2721 -5.0103 3 1058.8042137  72503 303684325      674324        s-trans-Propenoic acid
  514868.6911  0.2721 -5.0103 3 1058.8042137  72503 303684326      674325        s-trans-Propenoic acid
  514906.3971  0.0089 -5.1701 3  281.8544 81  72503 303401129      39 930        s-trans-Propenoic acid
  514985.0439  0.2223 -5.1960 3  820.5510119  72503 303593821      593722        s-trans-Propenoic acid
  514985.0439  0.2223 -5.1960 3  820.5510119  72503 303593822      593723        s-trans-Propenoic acid
  515153.7128  0.0317 -4.7462 3  706.5246139  72503 303691356      681455        s-trans-Propenoic acid
  515160.3357  0.0403 -4.1418 3  717.8160133  72503 303662245      652244        s-trans-Propenoic acid
  515163.1772  0.0318 -4.0771 3  706.5246139  72503 303691456      681455        s-trans-Propenoic acid
  515170.5865  0.0318 -4.0771 3  706.5241139  72503 303691356      681355        s-trans-Propenoic acid
  515172.8728  0.2582 -4.9562 3 1039.3605137  72503 303684226      674225        s-trans-Propenoic acid
  515172.8728  0.2582 -4.9562 3 1039.3605137  72503 303684227      674226        s-trans-Propenoic acid
  515180.0509  0.0319 -4.7462 3  706.5241139  72503 303691456      681355        s-trans-Propenoic acid
  515201.8288  0.0402 -4.1418 3  717.8177133  72503 303662244      652243        s-trans-Propenoic acid
  515262.6868  0.2194 -5.1826 3  805.6305117  72503 303583820      583721        s-trans-Propenoic acid
  515262.6868  0.2194 -5.1826 3  805.6305117  72503 303583821      583722        s-trans-Propenoic acid
  515264.1564  0.0058 -5.1067 3  216.9285 69  72503 303341025      33 726        s-trans-Propenoic acid
  515338.8792  0.0450 -4.7313 3  461.6381107  72503 303531539      521438        s-trans-Propenoic acid
  515492.4206  0.1957 -5.7728 3  989.2205181  72503 30390 585      90 486        s-trans-Propenoic acid
  515492.4206  0.1957 -5.7728 3  989.2205181  72503 30390 685      90 586        s-trans-Propenoic acid
  515494.0097  0.2446 -4.9038 3 1020.3854137  72503 303684127      674126        s-trans-Propenoic acid
  515494.0097  0.2446 -4.9038 3 1020.3854137  72503 303684128      674127        s-trans-Propenoic acid
  515527.7849  0.2170 -5.1706 3  790.9672115  72503 303573819      573720        s-trans-Propenoic acid
  515527.7849  0.2170 -5.1706 3  790.9672115  72503 303573820      573721        s-trans-Propenoic acid
  515688.0617  0.0375 -3.9849 3  258.4193 55  72503 3032723 4      2622 5        s-trans-Propenoic acid
  515688.0617  0.0375 -3.9849 3  258.4193 55  72503 3032723 5      2622 4        s-trans-Propenoic acid
  515726.1089  0.0825 -4.3061 3  787.8231135  72503 303672741      662740        s-trans-Propenoic acid
  515726.1094  0.0825 -4.3061 3  787.8231135  72503 303672740      662739        s-trans-Propenoic acid
  515780.7675  0.2149 -5.1602 3  776.5607113  72503 303563818      563719        s-trans-Propenoic acid
  515780.7675  0.2149 -5.1602 3  776.5607113  72503 303563819      563720        s-trans-Propenoic acid
  515834.0830  0.2314 -4.8529 3 1001.8803137  72503 303684028      674027        s-trans-Propenoic acid
  515834.0830  0.2314 -4.8529 3 1001.8803137  72503 303684029      674028        s-trans-Propenoic acid
  515871.0407  0.0212 -4.8575 3  689.3160135  72503 303671552      661651        s-trans-Propenoic acid
  516012.1724  0.2000 -5.8003 3  896.9556175  72503 30387 384      87 285        s-trans-Propenoic acid
  516012.1724  0.2000 -5.8003 3  896.9556175  72503 30387 484      87 385        s-trans-Propenoic acid
  516022.0529  0.2132 -5.1514 3  762.4109111  72503 303553817      553718        s-trans-Propenoic acid
  516022.0529  0.2132 -5.1514 3  762.4109111  72503 303553818      553719        s-trans-Propenoic acid
  516149.5674  0.0298 -4.7910 3  698.3498137  72503 303681454      671553        s-trans-Propenoic acid
  516195.3587  0.2184 -4.8035 3  983.8463137  72503 303683929      673928        s-trans-Propenoic acid
  516195.3587  0.2184 -4.8035 3  983.8463137  72503 303683930      673929        s-trans-Propenoic acid
  516252.0488  0.2118 -5.1444 3  748.5176109  72503 303543816      543717        s-trans-Propenoic acid
  516252.0488  0.2118 -5.1444 3  748.5176109  72503 303543817      543718        s-trans-Propenoic acid
  516292.9055  0.1698 -5.2876 3  783.1680143  72503 303711853      701952        s-trans-Propenoic acid
  516305.5439  0.0306 -4.0660 3  698.3498137  72503 303681554      671553        s-trans-Propenoic acid
  516385.5959  0.0742 -4.8449 3  588.7939123  72503 303611646      601545        s-trans-Propenoic acid
  516415.7616  0.0310 -4.0658 3  698.3409137  72503 303681454      671453        s-trans-Propenoic acid
  516421.1756  0.0051 -5.4435 3  174.7998 63  72503 30331 526      30 427        s-trans-Propenoic acid
  516471.1523  0.2107 -5.1394 3  734.8805107  72503 303533815      533716        s-trans-Propenoic acid
  516471.1523  0.2107 -5.1394 3  734.8805107  72503 303533816      533717        s-trans-Propenoic acid
  516571.7381  0.0318 -4.7903 3  698.3409137  72503 303681554      671453        s-trans-Propenoic acid
  516580.4425  0.2058 -4.7557 3  966.2850137  72503 303683830      673829        s-trans-Propenoic acid
  516580.4425  0.2058 -4.7557 3  966.2850137  72503 303683831      673830        s-trans-Propenoic acid
  516634.7548  0.0051 -5.4432 3  174.7998 63  72503 30331 626      30 327        s-trans-Propenoic acid
  516675.8330  0.0052 -5.2982 3  187.1963 65  72503 30332 626      31 527        s-trans-Propenoic acid
  516679.7509  0.2098 -5.1365 3  721.4994105  72503 303523814      523715        s-trans-Propenoic acid
  516679.7509  0.2098 -5.1365 3  721.4994105  72503 303523815      523716        s-trans-Propenoic acid
  516690.5713  0.0052 -5.6777 3  187.1958 65  72503 30332 626      31 427        s-trans-Propenoic acid
  516782.1197  0.0080 -4.3719 3  334.4107 87  72503 303431529      421428        s-trans-Propenoic acid
  516837.6350  0.0432 -4.8450 3  672.0761133  72503 303661651      651550        s-trans-Propenoic acid
  516849.7422  0.0052 -5.5176 3  192.3884 61  72503 303301218      291019        s-trans-Propenoic acid
  516857.4398  0.0738 -4.2738 3  776.1464135  72503 303672642      662641        s-trans-Propenoic acid
  516857.4468  0.0738 -4.2738 3  776.1464135  72503 303672641      662640        s-trans-Propenoic acid
  516878.2220  0.2091 -5.1360 3  708.3742103  72503 303513813      513714        s-trans-Propenoic acid
  516878.2220  0.2091 -5.1360 3  708.3742103  72503 303513814      513715        s-trans-Propenoic acid
  516906.3845  0.0312 -4.0121 3  262.3931 59  72503 3032922 7      2821 8        s-trans-Propenoic acid
  516906.3845  0.0312 -4.0121 3  262.3931 59  72503 3032922 8      2821 7        s-trans-Propenoic acid
  516968.0398  0.0207 -3.9562 3  631.1081127  72503 303631746      621745        s-trans-Propenoic acid
  516992.3454  0.1935 -4.7093 3  949.1979137  72503 303683731      673730        s-trans-Propenoic acid
  516992.3454  0.1935 -4.7093 3  949.1979137  72503 303683732      673731        s-trans-Propenoic acid
  517066.4786  0.0056 -5.3639 3  221.1951 69  72503 303341124      33 925        s-trans-Propenoic acid
  517066.9336  0.2087 -5.1381 3  695.5047101  72503 303503812      503713        s-trans-Propenoic acid
  517066.9336  0.2087 -5.1381 3  695.5047101  72503 303503813      503714        s-trans-Propenoic acid
  517246.2448  0.2084 -5.1433 3  682.8905 99  72503 303493811      493712        s-trans-Propenoic acid
  517246.2448  0.2084 -5.1433 3  682.8905 99  72503 303493812      493713        s-trans-Propenoic acid
  517416.5052  0.2082 -5.1518 3  670.5317 97  72503 303483810      483711        s-trans-Propenoic acid
  517416.5052  0.2082 -5.1518 3  670.5317 97  72503 303483811      483712        s-trans-Propenoic acid
  517434.5682  0.1814 -4.6643 3  932.5870137  72503 303683632      673631        s-trans-Propenoic acid
  517434.5682  0.1814 -4.6643 3  932.5870137  72503 303683633      673632        s-trans-Propenoic acid
  517578.0562  0.2082 -5.1644 3  658.4279 95  72503 3034738 9      473710        s-trans-Propenoic acid
  517578.0562  0.2082 -5.1644 3  658.4279 95  72503 303473810      473711        s-trans-Propenoic acid
  517581.5961  0.0066 -5.7624 3  162.1072 51  72503 303251312      241113        s-trans-Propenoic acid
  517584.2063  0.0066 -5.7624 3  162.1071 51  72503 303251313      241114        s-trans-Propenoic acid
  517662.3595  0.0336 -4.1144 3  708.9737133  72503 303662146      652145        s-trans-Propenoic acid
  517731.2302  0.2082 -5.1818 3  646.5791 93  72503 3034638 8      4637 9        s-trans-Propenoic acid
  517731.2302  0.2082 -5.1818 3  646.5791 93  72503 3034638 9      463710        s-trans-Propenoic acid
  517813.5272  0.0267 -3.9757 3  643.9118129  72503 303641648      631647        s-trans-Propenoic acid
  517835.1402  0.0286 -4.0522 3  689.3160135  72503 303671652      661651        s-trans-Propenoic acid
  517876.3514  0.2084 -5.2049 3  634.9850 91  72503 3034538 7      4537 8        s-trans-Propenoic acid
  517876.3514  0.2084 -5.2049 3  634.9850 91  72503 3034538 8      4537 9        s-trans-Propenoic acid
  517911.2072  0.1697 -4.6208 3  916.4545137  72503 303683533      673532        s-trans-Propenoic acid
  517911.2072  0.1697 -4.6208 3  916.4545137  72503 303683534      673533        s-trans-Propenoic acid
  517933.7279  0.0050 -5.6761 3  187.1963 65  72503 30332 726      31 527        s-trans-Propenoic acid
  517948.4662  0.0050 -5.2967 3  187.1958 65  72503 30332 726      31 427        s-trans-Propenoic acid
  517967.5636  0.0333 -4.1140 3  708.9871133  72503 303662145      652144        s-trans-Propenoic acid
  517997.7843  0.0077 -4.3702 3  334.3774 87  72503 303431528      421429        s-trans-Propenoic acid
  518013.7359  0.2087 -5.2352 3  623.6454 89  72503 3034438 6      4437 7        s-trans-Propenoic acid
  518013.7359  0.2087 -5.2352 3  623.6454 89  72503 3034438 7      4437 8        s-trans-Propenoic acid
  518066.8682  0.0086 -5.2078 3  274.5808 79  72503 303391227      381028        s-trans-Propenoic acid
  518076.7747  0.0256 -4.0424 3  267.8809 63  72503 303312110      302011        s-trans-Propenoic acid
  518076.7747  0.0256 -4.0424 3  267.8809 63  72503 303312111      302010        s-trans-Propenoic acid
  518117.2681  0.2020 -5.8095 3 1046.6315185  72503 30392 686      92 587        s-trans-Propenoic acid
  518117.2681  0.2020 -5.8095 3 1046.6315185  72503 30392 786      92 687        s-trans-Propenoic acid
  518123.0886  0.0053 -5.5527 3  199.8406 67  72503 30333 826      32 627        s-trans-Propenoic acid
  518143.6915  0.2090 -5.2749 3  612.5603 87  72503 3034338 5      4337 6        s-trans-Propenoic acid
  518143.6915  0.2090 -5.2749 3  612.5603 87  72503 3034338 6      4337 7        s-trans-Propenoic acid
  518161.5254  0.0654 -4.2427 3  765.0058135  72503 303672543      662542        s-trans-Propenoic acid
  518161.6116  0.0654 -4.2427 3  765.0058135  72503 303672542      662541        s-trans-Propenoic acid
  518239.5114  0.0053 -5.1845 3  199.8367 67  72503 30333 826      32 527        s-trans-Propenoic acid
  518266.5184  0.2094 -5.3272 3  601.7294 85  72503 3034238 4      4237 5        s-trans-Propenoic acid
  518266.5184  0.2094 -5.3272 3  601.7294 85  72503 3034238 5      4237 6        s-trans-Propenoic acid
  518382.5089  0.2098 -5.3976 3  591.1525 83  72503 3034138 3      4137 4        s-trans-Propenoic acid
  518382.5089  0.2098 -5.3976 3  591.1525 83  72503 3034138 4      4137 5        s-trans-Propenoic acid
  518425.6130  0.0051 -5.5157 3  192.3349 61  72503 303301219      291020        s-trans-Propenoic acid
  518427.0908  0.1583 -4.5786 3  900.8027137  72503 303683434      673433        s-trans-Propenoic acid
  518427.0908  0.1583 -4.5786 3  900.8027137  72503 303683435      673434        s-trans-Propenoic acid
  518487.4227  0.0242 -4.0382 3  679.4336133  72503 303661750      651749        s-trans-Propenoic acid
  518491.9477  0.2103 -5.4963 3  580.8296 81  72503 3034038 2      4037 3        s-trans-Propenoic acid
  518491.9477  0.2103 -5.4963 3  580.8296 81  72503 3034038 3      4037 4        s-trans-Propenoic acid
  518595.1119  0.2108 -5.6466 3  570.7605 79  72503 3033938 1      3937 2        s-trans-Propenoic acid
  518595.1119  0.2108 -5.6466 3  570.7605 79  72503 3033938 2      3937 3        s-trans-Propenoic acid
  518741.2410  0.5066 -5.8147 3 1252.0710165  72503 303823943      823844        s-trans-Propenoic acid
  518741.2410  0.5066 -5.8147 3 1252.0710165  72503 303823944      823845        s-trans-Propenoic acid
  518915.6123  0.2048 -5.7866 3  952.3194179  72503 30389 485      89 386        s-trans-Propenoic acid
  518915.6123  0.2048 -5.7866 3  952.3194179  72503 30389 585      89 486        s-trans-Propenoic acid
  518987.9568  0.1471 -4.5377 3  885.6346137  72503 303683335      673334        s-trans-Propenoic acid
  518987.9568  0.1471 -4.5377 3  885.6346137  72503 303683336      673335        s-trans-Propenoic acid
  519023.7173  0.0055 -5.4522 3  212.7079 69  72503 30334 926      33 727        s-trans-Propenoic acid
  519033.2275  0.0322 -4.0499 3  689.2105135  72503 303671552      661551        s-trans-Propenoic acid
  519082.3601  0.0076 -5.1636 3  285.2140 81  72503 303401228      391029        s-trans-Propenoic acid
  519157.3134  0.0207 -4.0765 3  274.9000 67  72503 303332013      321914        s-trans-Propenoic acid
  519157.3134  0.0207 -4.0765 3  274.9000 67  72503 303332014      321913        s-trans-Propenoic acid
  519225.4126  0.0510 -4.1174 3  769.8252161  72503 30380 377      79 376        s-trans-Propenoic acid
  519225.4126  0.0510 -4.5374 3  769.8252161  72503 30380 377      79 476        s-trans-Propenoic acid
  519225.4126  0.0510 -4.5374 3  769.8252161  72503 30380 477      79 376        s-trans-Propenoic acid
  519225.4126  0.0510 -4.1174 3  769.8252161  72503 30380 477      79 476        s-trans-Propenoic acid
  519227.7907  0.0580 -4.1131 3  771.3781163  72503 30381 279      80 278        s-trans-Propenoic acid
  519227.7907  0.0580 -4.5200 3  771.3781163  72503 30381 279      80 378        s-trans-Propenoic acid
  519227.7907  0.0580 -4.5200 3  771.3781163  72503 30381 379      80 278        s-trans-Propenoic acid
  519227.7907  0.0580 -4.1131 3  771.3781163  72503 30381 379      80 378        s-trans-Propenoic acid
  519228.8509  0.0463 -4.1207 3  767.7486159  72503 30379 475      78 474        s-trans-Propenoic acid
  519228.8509  0.0463 -4.5549 3  767.7486159  72503 30379 475      78 574        s-trans-Propenoic acid
  519228.8509  0.0463 -4.5549 3  767.7486159  72503 30379 575      78 474        s-trans-Propenoic acid
  519228.8509  0.0463 -4.1207 3  767.7486159  72503 30379 575      78 574        s-trans-Propenoic acid
  519232.5914  0.0679 -4.1077 3  772.4128165  72503 30382 181      81 180        s-trans-Propenoic acid
  519232.5914  0.0679 -4.5025 3  772.4128165  72503 30382 181      81 280        s-trans-Propenoic acid
  519232.5914  0.0679 -4.5025 3  772.4128165  72503 30382 281      81 180        s-trans-Propenoic acid
  519232.5914  0.0679 -4.1077 3  772.4128165  72503 30382 281      81 280        s-trans-Propenoic acid
  519237.1779  0.0814 -4.1014 3  772.9339167  72503 30383 083      82 082        s-trans-Propenoic acid
  519237.1779  0.0814 -4.4849 3  772.9339167  72503 30383 083      82 182        s-trans-Propenoic acid
  519237.1779  0.0814 -4.4849 3  772.9339167  72503 30383 183      82 082        s-trans-Propenoic acid
  519237.1779  0.0814 -4.1014 3  772.9339167  72503 30383 183      82 182        s-trans-Propenoic acid
  519242.5249  0.0435 -4.1230 3  765.1417157  72503 30378 573      77 572        s-trans-Propenoic acid
  519242.5249  0.0435 -4.5725 3  765.1417157  72503 30378 573      77 672        s-trans-Propenoic acid
  519242.5249  0.0435 -4.5725 3  765.1417157  72503 30378 673      77 572        s-trans-Propenoic acid
  519242.5249  0.0435 -4.1230 3  765.1417157  72503 30378 673      77 672        s-trans-Propenoic acid
  519272.2666  0.0417 -4.1241 3  761.9966155  72503 30377 671      76 670        s-trans-Propenoic acid
  519272.2666  0.0417 -4.5906 3  761.9966155  72503 30377 671      76 770        s-trans-Propenoic acid
  519272.2666  0.0417 -4.5906 3  761.9966155  72503 30377 771      76 670        s-trans-Propenoic acid
  519272.2666  0.0417 -4.1241 3  761.9966155  72503 30377 771      76 770        s-trans-Propenoic acid
  519308.8367  0.0291 -3.9965 3  653.1821129  72503 303641846      631845        s-trans-Propenoic acid
  519325.8933  0.0406 -4.1242 3  758.3039153  72503 30376 769      75 768        s-trans-Propenoic acid
  519325.8933  0.0406 -4.6092 3  758.3039153  72503 30376 769      75 868        s-trans-Propenoic acid
  519325.8933  0.0406 -4.6092 3  758.3039153  72503 30376 869      75 768        s-trans-Propenoic acid
  519325.8933  0.0406 -4.1242 3  758.3039153  72503 30376 869      75 868        s-trans-Propenoic acid
  519406.5870  0.4843 -5.7794 3 1231.1886163  72503 303813942      813843        s-trans-Propenoic acid
  519406.5870  0.4843 -5.7794 3 1231.1886163  72503 303813943      813844        s-trans-Propenoic acid
  519414.0816  0.0397 -4.1231 3  754.0516151  72503 30375 867      74 866        s-trans-Propenoic acid
  519414.0816  0.0397 -4.6286 3  754.0516151  72503 30375 867      74 966        s-trans-Propenoic acid
  519414.0816  0.0397 -4.6286 3  754.0516151  72503 30375 967      74 866        s-trans-Propenoic acid
  519414.0816  0.0397 -4.1231 3  754.0516151  72503 30375 967      74 966        s-trans-Propenoic acid
  519512.7916  0.0090 -5.2555 3  264.1978 77  72503 303381226      371027        s-trans-Propenoic acid
  519551.7501  0.0388 -4.1207 3  749.2253149  72503 30374 965      73 964        s-trans-Propenoic acid
  519551.7501  0.0388 -4.6492 3  749.2253149  72503 30374 965      731064        s-trans-Propenoic acid
  519551.7501  0.0388 -4.6492 3  749.2253149  72503 303741065      73 964        s-trans-Propenoic acid
  519551.7501  0.0388 -4.1207 3  749.2253149  72503 303741065      731064        s-trans-Propenoic acid
  519600.6885  0.1363 -4.4983 3  870.9536137  72503 303683236      673235        s-trans-Propenoic acid
  519600.6885  0.1363 -4.4983 3  870.9536137  72503 303683237      673236        s-trans-Propenoic acid
  519614.9273  0.0829 -5.1149 3  739.3160139  72503 303691752      681851        s-trans-Propenoic acid
  519660.7752  0.4875 -5.8096 3 1345.4711139  72503 303695514      685513        s-trans-Propenoic acid
  519660.7752  0.4875 -5.8096 3 1345.4711139  72503 303695515      685514        s-trans-Propenoic acid
  519687.1498  0.0572 -4.2127 3  754.4182135  72503 303672444      662443        s-trans-Propenoic acid
  519688.0891  0.0572 -4.2127 3  754.4182135  72503 303672443      662442        s-trans-Propenoic acid
  519698.3084  0.0271 -4.0421 3  676.4754131  72503 303651946      641945        s-trans-Propenoic acid
  519753.1131  0.0055 -5.1040 3  212.6835 69  72503 30334 926      33 627        s-trans-Propenoic acid
  519760.3512  0.0379 -4.6716 3  743.8064147  72503 303731063      721162        s-trans-Propenoic acid
  519760.3515  0.0379 -4.1170 3  743.8064147  72503 303731163      721162        s-trans-Propenoic acid
  519760.3518  0.0379 -4.1170 3  743.8064147  72503 303731063      721062        s-trans-Propenoic acid
  519760.3521  0.0379 -4.6716 3  743.8064147  72503 303731163      721062        s-trans-Propenoic acid
  519860.5826  0.4689 -5.7307 3 1320.4690139  72503 303695415      685414        s-trans-Propenoic acid
  519860.5826  0.4689 -5.7307 3 1320.4690139  72503 303695416      685415        s-trans-Propenoic acid
  520047.5242  0.4631 -5.7449 3 1210.5691161  72503 303803941      803842        s-trans-Propenoic acid
  520047.5242  0.4631 -5.7449 3 1210.5691161  72503 303803942      803843        s-trans-Propenoic acid
  520065.7118  0.4506 -5.6548 3 1295.9277139  72503 303695316      685315        s-trans-Propenoic acid
  520065.7118  0.4506 -5.6548 3 1295.9277139  72503 303695317      685316        s-trans-Propenoic acid
  520071.8847  0.0369 -4.6963 3  737.7709145  72503 303721161      711260        s-trans-Propenoic acid
  520071.8940  0.0369 -4.1118 3  737.7709145  72503 303721261      711260        s-trans-Propenoic acid
  520071.9024  0.0369 -4.1118 3  737.7709145  72503 303721161      711160        s-trans-Propenoic acid
  520071.9117  0.0369 -4.6963 3  737.7709145  72503 303721261      711160        s-trans-Propenoic acid
  520072.2151  0.0086 -4.2815 3  318.9855 83  72503 303411626      401525        s-trans-Propenoic acid
  520077.8967  0.0165 -4.1154 3  283.4749 71  72503 303351916      341817        s-trans-Propenoic acid
  520077.8967  0.0165 -4.1154 3  283.4749 71  72503 303351917      341816        s-trans-Propenoic acid
  520104.5031  0.0086 -4.2814 3  318.9846 83  72503 303411625      401526        s-trans-Propenoic acid
  520273.6312  0.1257 -4.4601 3  856.7637137  72503 303683137      673136        s-trans-Propenoic acid
  520273.6312  0.1257 -4.4601 3  856.7637137  72503 303683138      673137        s-trans-Propenoic acid
  520276.7031  0.4327 -5.5816 3 1271.8477139  72503 303695217      685216        s-trans-Propenoic acid
  520276.7031  0.4327 -5.5816 3 1271.8477139  72503 303695218      685217        s-trans-Propenoic acid
  520482.3439  0.0280 -4.0882 3  700.8046133  72503 303662047      652046        s-trans-Propenoic acid
  520494.1524  0.4151 -5.5108 3 1248.2295139  72503 303695118      685117        s-trans-Propenoic acid
  520494.1524  0.4151 -5.5108 3 1248.2295139  72503 303695119      685118        s-trans-Propenoic acid
  520536.2369  0.0357 -4.7244 3  731.0866143  72503 303711259      701358        s-trans-Propenoic acid
  520536.4822  0.0357 -4.1051 3  731.0866143  72503 303711359      701358        s-trans-Propenoic acid
  520536.6927  0.0357 -4.1051 3  731.0866143  72503 303711259      701258        s-trans-Propenoic acid
  520536.9380  0.0357 -4.7244 3  731.0866143  72503 303711359      701258        s-trans-Propenoic acid
  520664.8209  0.4430 -5.7112 3 1190.2119159  72503 303793940      793841        s-trans-Propenoic acid
  520664.8209  0.4430 -5.7112 3 1190.2119159  72503 303793941      793842        s-trans-Propenoic acid
  520718.4955  0.0130 -4.1607 3  293.6407 75  72503 303371820      361719        s-trans-Propenoic acid
  520718.4995  0.0130 -4.1607 3  293.6407 75  72503 303371819      361720        s-trans-Propenoic acid
  520718.7183  0.3978 -5.4423 3 1225.0736139  72503 303695019      685018        s-trans-Propenoic acid
  520718.7183  0.3978 -5.4423 3 1225.0736139  72503 303695020      685019        s-trans-Propenoic acid
  520863.1792  0.0103 -4.2146 3  305.4498 79  72503 303391723      381622        s-trans-Propenoic acid
  520863.6584  0.0103 -4.2146 3  305.4498 79  72503 303391722      381623        s-trans-Propenoic acid
  520951.1299  0.3808 -5.3761 3 1202.3805139  72503 303694920      684919        s-trans-Propenoic acid
  520951.1299  0.3808 -5.3761 3 1202.3805139  72503 303694921      684920        s-trans-Propenoic acid
  520997.3270  0.0409 -4.8484 3  689.2105135  72503 303671652      661551        s-trans-Propenoic acid
  521017.0302  0.1155 -4.4231 3  843.0695137  72503 303683038      673037        s-trans-Propenoic acid
  521017.0302  0.1155 -4.4231 3  843.0695137  72503 303683039      673038        s-trans-Propenoic acid
  521018.6510  0.0070 -4.5069 3  351.7153 91  72503 303451431      441332        s-trans-Propenoic acid
  521127.8124  0.0055 -5.4838 3  200.2435 63  72503 303311219      301020        s-trans-Propenoic acid
  521192.1971  0.3642 -5.3119 3 1180.1509139  72503 303694821      684820        s-trans-Propenoic acid
  521192.1971  0.3642 -5.3119 3 1180.1509139  72503 303694822      684821        s-trans-Propenoic acid
  521231.4878  0.0345 -4.7578 3  723.7086141  72503 303701357      691456        s-trans-Propenoic acid
  521236.7617  0.0345 -4.0964 3  723.7086141  72503 303701457      691456        s-trans-Propenoic acid
  521240.9522  0.0346 -4.0964 3  723.7083141  72503 303701357      691356        s-trans-Propenoic acid
  521246.2261  0.0346 -4.7577 3  723.7083141  72503 303701457      691356        s-trans-Propenoic acid
  521259.2188  0.4241 -5.6782 3 1170.1169157  72503 303783939      783840        s-trans-Propenoic acid
  521259.2188  0.4241 -5.6782 3 1170.1169157  72503 303783940      783841        s-trans-Propenoic acid
  521442.8209  0.3480 -5.2497 3 1158.3853139  72503 303694722      684721        s-trans-Propenoic acid
  521442.8209  0.3480 -5.2497 3 1158.3853139  72503 303694723      684722        s-trans-Propenoic acid
  521504.7465  0.0493 -4.1836 3  744.4059135  72503 303672345      662344        s-trans-Propenoic acid
  521513.7320  0.0493 -4.1836 3  744.4062135  72503 303672344      662343        s-trans-Propenoic acid
  521682.5078  0.2107 -5.8039 3 1009.0189183  72503 30391 586      91 487        s-trans-Propenoic acid
  521682.5078  0.2107 -5.8039 3 1009.0189183  72503 30391 686      91 587        s-trans-Propenoic acid
  521704.0076  0.3320 -5.1893 3 1137.0845139  72503 303694623      684622        s-trans-Propenoic acid
  521704.0076  0.3320 -5.1893 3 1137.0845139  72503 303694624      684623        s-trans-Propenoic acid
  521831.4343  0.4062 -5.6461 3 1150.2836155  72503 303773938      773839        s-trans-Propenoic acid
  521831.4343  0.4062 -5.6461 3 1150.2836155  72503 303773939      773840        s-trans-Propenoic acid
  521843.6479  0.1055 -4.3875 3  829.8769137  72503 303682939      672938        s-trans-Propenoic acid
  521843.6479  0.1055 -4.3875 3  829.8769137  72503 303682940      672939        s-trans-Propenoic acid
  521976.8832  0.3164 -5.1308 3 1116.2492139  72503 303694524      684523        s-trans-Propenoic acid
  521976.8832  0.3164 -5.1308 3 1116.2492139  72503 303694525      684524        s-trans-Propenoic acid
  521982.8367  0.0441 -3.9618 3  262.2503 53  72503 3032624 2      2523 3        s-trans-Propenoic acid
  521982.8367  0.0441 -3.9618 3  262.2503 53  72503 3032624 3      2523 2        s-trans-Propenoic acid
  522143.8361  0.0324 -3.9988 3  661.1842131  72503 303651649      641648        s-trans-Propenoic acid
  522176.5190  0.0090 -5.2996 3  254.0942 75  72503 303371225      361026        s-trans-Propenoic acid
  522213.7389  0.0328 -4.7995 3  715.5719139  72503 303691455      681554        s-trans-Propenoic acid
  522262.7122  0.3011 -5.0740 3 1095.8802139  72503 303694425      684424        s-trans-Propenoic acid
  522262.7122  0.3011 -5.0740 3 1095.8802139  72503 303694426      684425        s-trans-Propenoic acid
  522281.4405  0.0786 -4.8415 3  572.5828121  72503 303601645      591544        s-trans-Propenoic acid
  522300.5418  0.0279 -4.0854 3  700.8973133  72503 303662046      652045        s-trans-Propenoic acid
  522304.3426  0.0333 -4.0854 3  715.5719139  72503 303691555      681554        s-trans-Propenoic acid
  522369.7153  0.0336 -4.0853 3  715.5667139  72503 303691455      681454        s-trans-Propenoic acid
  522382.1598  0.3894 -5.6148 3 1130.7119153  72503 303763937      763838        s-trans-Propenoic acid
  522382.1598  0.3894 -5.6148 3 1130.7119153  72503 303763938      763839        s-trans-Propenoic acid
  522456.8956  0.0224 -4.0476 3  686.3104133  72503 303661849      651848        s-trans-Propenoic acid
  522460.3191  0.0341 -4.7991 3  715.5667139  72503 303691555      681454        s-trans-Propenoic acid
  522489.2820  0.0089 -4.3938 3  345.6676 89  72503 303441530      431429        s-trans-Propenoic acid
  522562.9194  0.2862 -5.0189 3 1075.9784139  72503 303694326      684325        s-trans-Propenoic acid
  522562.9194  0.2862 -5.0189 3 1075.9784139  72503 303694327      684326        s-trans-Propenoic acid
  522606.7758  0.0262 -4.8588 3  706.5891137  72503 303681553      671652        s-trans-Propenoic acid
  522712.9863  0.0239 -4.0648 3  693.3050133  72503 303661948      651947        s-trans-Propenoic acid
  522769.6622  0.0958 -4.3531 3  817.1928137  72503 303682841      672840        s-trans-Propenoic acid
  522769.6623  0.0958 -4.3531 3  817.1928137  72503 303682840      672839        s-trans-Propenoic acid
  522879.1158  0.2716 -4.9654 3 1056.5448139  72503 303694227      684226        s-trans-Propenoic acid
  522879.1158  0.2716 -4.9654 3 1056.5448139  72503 303694228      684227        s-trans-Propenoic acid
  522912.0651  0.3737 -5.5843 3 1111.4013151  72503 303753936      753837        s-trans-Propenoic acid
  522912.0651  0.3737 -5.5843 3 1111.4013151  72503 303753937      753838        s-trans-Propenoic acid
  523146.1377  0.0394 -4.6947 3  447.4101105  72503 303521538      511437        s-trans-Propenoic acid
  523213.1298  0.2573 -4.9135 3 1037.5805139  72503 303694128      684127        s-trans-Propenoic acid
  523213.1298  0.2573 -4.9135 3 1037.5805139  72503 303694129      684128        s-trans-Propenoic acid
  523218.6426  0.0371 -3.9873 3  265.2357 57  72503 3032823 5      2722 6        s-trans-Propenoic acid
  523218.6426  0.0371 -3.9873 3  265.2357 57  72503 3032823 6      2722 5        s-trans-Propenoic acid
  523421.7985  0.3590 -5.5546 3 1092.3516149  72503 303743935      743836        s-trans-Propenoic acid
  523421.7985  0.3590 -5.5546 3 1092.3516149  72503 303743936      743837        s-trans-Propenoic acid
  523516.1463  0.0072 -5.1071 3  221.1495 71  72503 30335 827      34 728        s-trans-Propenoic acid
  523567.0455  0.2433 -4.8631 3 1019.0866139  72503 303694029      684028        s-trans-Propenoic acid
  523567.0455  0.2433 -4.8631 3 1019.0866139  72503 303694030      684029        s-trans-Propenoic acid
  523663.3514  0.0208 -4.9603 3  714.2373137  72503 303681652      671751        s-trans-Propenoic acid
  523709.0858  0.0418 -4.1555 3  734.9999135  72503 303672246      662245        s-trans-Propenoic acid
  523744.7070  0.0067 -5.1318 3  296.0678 83  72503 303411229      401030        s-trans-Propenoic acid
  523783.3061  0.0417 -4.1554 3  735.0029135  72503 303672245      662244        s-trans-Propenoic acid
  523810.8317  0.0316 -4.0718 3  706.5891137  72503 303681653      671652        s-trans-Propenoic acid
  523816.0190  0.0863 -4.3198 3  805.0258137  72503 303682742      672741        s-trans-Propenoic acid
  523816.0201  0.0863 -4.3198 3  805.0258137  72503 303682741      672740        s-trans-Propenoic acid
  523911.9877  0.3453 -5.5258 3 1073.5625147  72503 303733934      733835        s-trans-Propenoic acid
  523911.9877  0.3453 -5.5258 3 1073.5625147  72503 303733935      733836        s-trans-Propenoic acid
  523932.3422  0.0072 -5.4641 3  221.1356 71  72503 30335 827      34 628        s-trans-Propenoic acid
  523943.2493  0.2296 -4.8143 3 1001.0647139  72503 303693930      683929        s-trans-Propenoic acid
  523943.2493  0.2296 -4.8143 3 1001.0647139  72503 303693931      683930        s-trans-Propenoic acid
  523994.5841  0.0053 -5.4806 3  200.1458 63  72503 303311220      301021        s-trans-Propenoic acid
  524277.1480  0.0057 -5.3760 3  225.7810 71  72503 303351026      34 827        s-trans-Propenoic acid
  524281.4960  0.0064 -5.7139 3  168.5157 53  72503 303261313      251114        s-trans-Propenoic acid
  524287.9936  0.0064 -5.7139 3  168.5155 53  72503 303261314      251115        s-trans-Propenoic acid
  524344.4871  0.2163 -4.7669 3  983.5162139  72503 303693831      683830        s-trans-Propenoic acid
  524344.4871  0.2163 -4.7669 3  983.5162139  72503 303693832      683831        s-trans-Propenoic acid
  524383.2411  0.3326 -5.4979 3 1055.0337145  72503 303723933      723834        s-trans-Propenoic acid
  524383.2411  0.3326 -5.4979 3 1055.0337145  72503 303723934      723835        s-trans-Propenoic acid
  524425.6445  0.0309 -4.0152 3  269.7260 61  72503 3033022 8      2921 9        s-trans-Propenoic acid
  524425.6445  0.0309 -4.0152 3  269.7260 61  72503 3033022 9      2921 8        s-trans-Propenoic acid
  524512.0144  0.0059 -5.4527 3  208.4034 65  72503 303321220      311021        s-trans-Propenoic acid
  524570.8754  0.0342 -4.0704 3  706.5236137  72503 303681553      671552        s-trans-Propenoic acid
  524689.4181  0.0084 -4.3908 3  345.6078 89  72503 303441529      431430        s-trans-Propenoic acid
  524773.9360  0.2033 -4.7209 3  966.4429139  72503 303693732      683731        s-trans-Propenoic acid
  524773.9360  0.2033 -4.7209 3  966.4429139  72503 303693733      683732        s-trans-Propenoic acid
  524836.1486  0.3208 -5.4708 3 1036.7650143  72503 303713932      713833        s-trans-Propenoic acid
  524836.1486  0.3208 -5.4708 3 1036.7650143  72503 303713933      713834        s-trans-Propenoic acid
  524902.2470  0.0275 -4.0569 3  696.7285135  72503 303671751      661750        s-trans-Propenoic acid
  524933.3904  0.0085 -5.3372 3  244.2958 73  72503 303361224      351025        s-trans-Propenoic acid
  525010.5538  0.0772 -4.2878 3  793.3869137  72503 303682643      672642        s-trans-Propenoic acid
  525010.5686  0.0772 -4.2878 3  793.3869137  72503 303682642      672641        s-trans-Propenoic acid
  525235.2939  0.1906 -4.6763 3  949.8468139  72503 303693633      683632        s-trans-Propenoic acid
  525235.2939  0.1906 -4.6763 3  949.8468139  72503 303693634      683633        s-trans-Propenoic acid
  525271.2827  0.3099 -5.4447 3 1018.7560141  72503 303703931      703832        s-trans-Propenoic acid
  525271.2827  0.3099 -5.4447 3 1018.7560141  72503 303703932      703833        s-trans-Propenoic acid
  525422.6233  0.0549 -4.1379 3  787.1447163  72503 30381 378      80 377        s-trans-Propenoic acid
  525422.6233  0.0549 -4.5573 3  787.1447163  72503 30381 378      80 477        s-trans-Propenoic acid
  525422.6233  0.0549 -4.5573 3  787.1447163  72503 30381 478      80 377        s-trans-Propenoic acid
  525422.6233  0.0549 -4.1379 3  787.1447163  72503 30381 478      80 477        s-trans-Propenoic acid
  525425.3158  0.0624 -4.1337 3  788.6977165  72503 30382 280      81 279        s-trans-Propenoic acid
  525425.3158  0.0624 -4.5402 3  788.6977165  72503 30382 280      81 379        s-trans-Propenoic acid
  525425.3158  0.0624 -4.5402 3  788.6977165  72503 30382 380      81 279        s-trans-Propenoic acid
  525425.3158  0.0624 -4.1337 3  788.6977165  72503 30382 380      81 379        s-trans-Propenoic acid
  525425.4582  0.0499 -4.1411 3  785.0682161  72503 30380 476      79 475        s-trans-Propenoic acid
  525425.4582  0.0499 -4.5745 3  785.0682161  72503 30380 476      79 575        s-trans-Propenoic acid
  525425.4582  0.0499 -4.5745 3  785.0682161  72503 30380 576      79 475        s-trans-Propenoic acid
  525425.4582  0.0499 -4.1411 3  785.0682161  72503 30380 576      79 575        s-trans-Propenoic acid
  525430.2477  0.0730 -4.1284 3  789.7326167  72503 30383 182      82 181        s-trans-Propenoic acid
  525430.2477  0.0730 -4.5230 3  789.7326167  72503 30383 182      82 281        s-trans-Propenoic acid
  525430.2477  0.0730 -4.5230 3  789.7326167  72503 30383 282      82 181        s-trans-Propenoic acid
  525430.2477  0.0730 -4.1284 3  789.7326167  72503 30383 282      82 281        s-trans-Propenoic acid
  525434.8543  0.0872 -4.1222 3  790.2538169  72503 30384 084      83 083        s-trans-Propenoic acid
  525434.8543  0.0872 -4.5056 3  790.2538169  72503 30384 084      83 183        s-trans-Propenoic acid
  525434.8543  0.0872 -4.5056 3  790.2538169  72503 30384 184      83 083        s-trans-Propenoic acid
  525434.8543  0.0872 -4.1222 3  790.2538169  72503 30384 184      83 183        s-trans-Propenoic acid
  525438.0847  0.0467 -4.1433 3  782.4618159  72503 30379 574      78 573        s-trans-Propenoic acid
  525438.0847  0.0467 -4.5918 3  782.4618159  72503 30379 574      78 673        s-trans-Propenoic acid
  525438.0847  0.0467 -4.5918 3  782.4618159  72503 30379 674      78 573        s-trans-Propenoic acid
  525438.0847  0.0467 -4.1433 3  782.4618159  72503 30379 674      78 673        s-trans-Propenoic acid
  525466.1051  0.0448 -4.1444 3  779.3177157  72503 30378 672      77 671        s-trans-Propenoic acid
  525466.1051  0.0448 -4.6094 3  779.3177157  72503 30378 672      77 771        s-trans-Propenoic acid
  525466.1051  0.0448 -4.6094 3  779.3177157  72503 30378 772      77 671        s-trans-Propenoic acid
  525466.1051  0.0448 -4.1444 3  779.3177157  72503 30378 772      77 771        s-trans-Propenoic acid
  525516.9924  0.0436 -4.1443 3  775.6267155  72503 30377 770      76 769        s-trans-Propenoic acid
  525516.9924  0.0436 -4.6276 3  775.6267155  72503 30377 770      76 869        s-trans-Propenoic acid
  525516.9924  0.0436 -4.6276 3  775.6267155  72503 30377 870      76 769        s-trans-Propenoic acid
  525516.9924  0.0436 -4.1443 3  775.6267155  72503 30377 870      76 869        s-trans-Propenoic acid
  525575.2977  0.0253 -4.0464 3  275.7347 65  72503 303322111      312012        s-trans-Propenoic acid
  525575.2977  0.0253 -4.0464 3  275.7347 65  72503 303322112      312011        s-trans-Propenoic acid
  525600.8961  0.0427 -4.1431 3  771.3774153  72503 30376 868      75 867        s-trans-Propenoic acid
  525600.8961  0.0427 -4.6465 3  771.3774153  72503 30376 868      75 967        s-trans-Propenoic acid
  525600.8961  0.0427 -4.6465 3  771.3774153  72503 30376 968      75 867        s-trans-Propenoic acid
  525600.8961  0.0427 -4.1431 3  771.3774153  72503 30376 968      75 967        s-trans-Propenoic acid
  525659.5507  0.0188 -3.9701 3  648.3523129  72503 303641747      631746        s-trans-Propenoic acid
  525689.1989  0.2999 -5.4195 3 1001.0065139  72503 303693930      693831        s-trans-Propenoic acid
  525689.1989  0.2999 -5.4195 3 1001.0065139  72503 303693931      693832        s-trans-Propenoic acid
  525731.9072  0.0418 -4.1407 3  766.5557151  72503 30375 966      74 965        s-trans-Propenoic acid
  525731.9072  0.0418 -4.6665 3  766.5557151  72503 30375 966      741065        s-trans-Propenoic acid
  525731.9072  0.0418 -4.6665 3  766.5557151  72503 303751066      74 965        s-trans-Propenoic acid
  525731.9072  0.0418 -4.1407 3  766.5557151  72503 303751066      741065        s-trans-Propenoic acid
  525732.8943  0.1783 -4.6332 3  933.7301139  72503 303693534      683533        s-trans-Propenoic acid
  525732.8943  0.1783 -4.6332 3  933.7301139  72503 303693535      683534        s-trans-Propenoic acid
  525774.9312  0.0401 -4.8533 3  706.5236137  72503 303681653      671552        s-trans-Propenoic acid
  525930.1313  0.0409 -4.6881 3  761.1438149  72503 303741064      731163        s-trans-Propenoic acid
  525930.1314  0.0409 -4.1369 3  761.1438149  72503 303741164      731163        s-trans-Propenoic acid
  525930.1316  0.0409 -4.1369 3  761.1438149  72503 303741064      731063        s-trans-Propenoic acid
  525930.1317  0.0409 -4.6881 3  761.1438149  72503 303741164      731063        s-trans-Propenoic acid
  526090.4367  0.2908 -5.3952 3  983.5162137  72503 303683929      683830        s-trans-Propenoic acid
  526090.4367  0.2908 -5.3952 3  983.5162137  72503 303683930      683831        s-trans-Propenoic acid
  526225.2732  0.0398 -4.7118 3  755.1186147  72503 303731162      721261        s-trans-Propenoic acid
  526225.2780  0.0398 -4.1317 3  755.1186147  72503 303731262      721261        s-trans-Propenoic acid
  526225.2825  0.0398 -4.1317 3  755.1186147  72503 303731162      721161        s-trans-Propenoic acid
  526225.2873  0.0398 -4.7118 3  755.1186147  72503 303731262      721161        s-trans-Propenoic acid
  526271.8535  0.1662 -4.5913 3  918.0956139  72503 303693435      683434        s-trans-Propenoic acid
  526271.8535  0.1662 -4.5913 3  918.0956139  72503 303693436      683435        s-trans-Propenoic acid
  526308.1267  0.0366 -4.0223 3  678.6011133  72503 303661650      651649        s-trans-Propenoic acid
  526363.0189  0.0348 -4.1282 3  726.2410135  72503 303672147      662146        s-trans-Propenoic acid
  526391.4639  0.0683 -4.2568 3  782.2898137  72503 303682544      672543        s-trans-Propenoic acid
  526391.6383  0.0683 -4.2568 3  782.2898137  72503 303682543      672542        s-trans-Propenoic acid
  526475.5205  0.2824 -5.3720 3  966.2850135  72503 303673928      673829        s-trans-Propenoic acid
  526475.5205  0.2824 -5.3720 3  966.2850135  72503 303673929      673830        s-trans-Propenoic acid
  526620.4495  0.0205 -4.0817 3  283.2807 69  72503 303342014      331915        s-trans-Propenoic acid
  526620.4495  0.0205 -4.0817 3  283.2807 69  72503 303342015      331914        s-trans-Propenoic acid
  526663.1628  0.0387 -4.7387 3  748.4498145  72503 303721260      711359        s-trans-Propenoic acid
  526663.2942  0.0387 -4.1250 3  748.4498145  72503 303721360      711359        s-trans-Propenoic acid
  526663.4081  0.0387 -4.1250 3  748.4498145  72503 303721260      711259        s-trans-Propenoic acid
  526663.5394  0.0387 -4.7387 3  748.4498145  72503 303721360      711259        s-trans-Propenoic acid
  526738.8029  0.0064 -5.4239 3  216.8795 67  72503 303331221      321022        s-trans-Propenoic acid
  526833.4931  0.0057 -5.3450 3  230.0206 71  72503 303351125      34 926        s-trans-Propenoic acid
  526844.9598  0.2749 -5.3497 3  949.3124133  72503 303663927      663828        s-trans-Propenoic acid
  526844.9598  0.2749 -5.3497 3  949.3124133  72503 303663928      663829        s-trans-Propenoic acid
  526858.2638  0.1545 -4.5508 3  902.9462139  72503 303693336      683335        s-trans-Propenoic acid
  526858.2638  0.1545 -4.5508 3  902.9462139  72503 303693337      683336        s-trans-Propenoic acid
  526872.4634  0.0142 -4.7704 3  319.0116 87  72503 303431231      421132        s-trans-Propenoic acid
  526878.3980  0.0344 -4.1274 3  726.2646135  72503 303672146      662145        s-trans-Propenoic acid
  526902.2565  0.0091 -4.2960 3  329.5966 85  72503 303421627      411526        s-trans-Propenoic acid
  526909.1782  0.0078 -5.3685 3  234.8221 71  72503 303351223      341024        s-trans-Propenoic acid
  526968.4184  0.0091 -4.2959 3  329.5947 85  72503 303421626      411527        s-trans-Propenoic acid
  527162.3864  0.0137 -4.8769 3  292.6528 83  72503 303411130      401031        s-trans-Propenoic acid
  527199.2502  0.2681 -5.3285 3  932.5984131  72503 303653926      653827        s-trans-Propenoic acid
  527199.2502  0.2681 -5.3285 3  932.5984131  72503 303653927      653828        s-trans-Propenoic acid
  527257.0880  0.5125 -5.8062 3 1362.8051141  72503 303705515      695514        s-trans-Propenoic acid
  527257.0880  0.5125 -5.8062 3 1362.8051141  72503 303705516      695515        s-trans-Propenoic acid
  527316.2363  0.0374 -4.7704 3  741.0952143  72503 303711358      701457        s-trans-Propenoic acid
  527319.1569  0.0375 -4.1163 3  741.0952143  72503 303711458      701457        s-trans-Propenoic acid
  527321.5101  0.0375 -4.1163 3  741.0950143  72503 303711358      701357        s-trans-Propenoic acid
  527324.4307  0.0375 -4.7704 3  741.0950143  72503 303711458      701357        s-trans-Propenoic acid
  527398.0716  0.2552 -5.4291 3  847.6359149  72503 303741955      732054        s-trans-Propenoic acid
  527463.3430  0.4929 -5.7292 3 1337.8097141  72503 303705416      695415        s-trans-Propenoic acid
  527463.3430  0.4929 -5.7292 3 1337.8097141  72503 303705417      695416        s-trans-Propenoic acid
  527482.4631  0.0164 -4.1221 3  292.3905 73  72503 303361918      351817        s-trans-Propenoic acid
  527482.4632  0.0164 -4.1221 3  292.3905 73  72503 303361917      351818        s-trans-Propenoic acid
  527499.4501  0.1430 -4.5116 3  888.2856139  72503 303693237      683236        s-trans-Propenoic acid
  527499.4501  0.1430 -4.5116 3  888.2856139  72503 303693238      683237        s-trans-Propenoic acid
  527538.8740  0.2619 -5.3084 3  916.1426129  72503 303643925      643826        s-trans-Propenoic acid
  527538.8740  0.2619 -5.3084 3  916.1426129  72503 303643926      643827        s-trans-Propenoic acid
  527570.2240  0.0070 -5.3965 3  225.6832 69  72503 303341222      331023        s-trans-Propenoic acid
  527627.8656  0.0101 -4.4187 3  357.2257 91  72503 303451531      441430        s-trans-Propenoic acid
  527675.2048  0.4737 -5.6550 3 1313.2752141  72503 303705317      695316        s-trans-Propenoic acid
  527675.2048  0.4737 -5.6550 3 1313.2752141  72503 303705318      695317        s-trans-Propenoic acid
  527864.3004  0.2565 -5.2894 3  899.9448127  72503 303633924      633825        s-trans-Propenoic acid
  527864.3004  0.2565 -5.2894 3  899.9448127  72503 303633925      633826        s-trans-Propenoic acid
  527893.2387  0.4548 -5.5832 3 1289.2023141  72503 303705218      695217        s-trans-Propenoic acid
  527893.2387  0.4548 -5.5832 3 1289.2023141  72503 303705219      695218        s-trans-Propenoic acid
  527910.3889  0.0058 -5.0729 3  225.6598 71  72503 303351026      34 727        s-trans-Propenoic acid
  528007.1783  0.0106 -4.2255 3  315.4734 81  72503 303401724      391623        s-trans-Propenoic acid
  528008.2879  0.0106 -4.2255 3  315.4733 81  72503 303401723      391624        s-trans-Propenoic acid
  528013.0386  0.0596 -4.2269 3  771.7531137  72503 303682445      672444        s-trans-Propenoic acid
  528014.8591  0.0596 -4.2269 3  771.7531137  72503 303682444      672443        s-trans-Propenoic acid
  528026.4136  0.0130 -4.1692 3  303.1023 77  72503 303381821      371720        s-trans-Propenoic acid
  528026.4242  0.0130 -4.1692 3  303.1023 77  72503 303381820      371721        s-trans-Propenoic acid
  528118.0685  0.4363 -5.5137 3 1265.5913141  72503 303705119      695118        s-trans-Propenoic acid
  528118.0685  0.4363 -5.5137 3 1265.5913141  72503 303705120      695119        s-trans-Propenoic acid
  528175.9863  0.2516 -5.2716 3  884.0047125  72503 303623923      623824        s-trans-Propenoic acid
  528175.9863  0.2516 -5.2716 3  884.0047125  72503 303623924      623825        s-trans-Propenoic acid
  528204.3182  0.1319 -4.4737 3  874.1181139  72503 303693138      683137        s-trans-Propenoic acid
  528204.3182  0.1319 -4.4737 3  874.1181139  72503 303693139      683138        s-trans-Propenoic acid
  528263.3026  0.0359 -4.8095 3  732.9941141  72503 303701456      691555        s-trans-Propenoic acid
  528271.8312  0.0514 -3.9404 3  266.8063 51  72503 3032525 0      2424 1        s-trans-Propenoic acid
  528271.8312  0.0514 -3.9404 3  266.8063 51  72503 3032525 1      2424 0        s-trans-Propenoic acid
  528315.5073  0.0362 -4.1055 3  732.9941141  72503 303701556      691555        s-trans-Propenoic acid
  528350.3836  0.4181 -5.4465 3 1242.4429141  72503 303705020      695019        s-trans-Propenoic acid
  528350.3836  0.4181 -5.4465 3 1242.4429141  72503 303705021      695020        s-trans-Propenoic acid
  528353.9064  0.0364 -4.1054 3  732.9911141  72503 303701456      691455        s-trans-Propenoic acid
  528406.1111  0.0368 -4.8092 3  732.9911141  72503 303701556      691455        s-trans-Propenoic acid
  528474.3766  0.2474 -5.2550 3  868.3222123  72503 303613922      613823        s-trans-Propenoic acid
  528474.3766  0.2474 -5.2550 3  868.3222123  72503 303613923      613824        s-trans-Propenoic acid
  528590.9477  0.4003 -5.3813 3 1219.7576141  72503 303704921      694920        s-trans-Propenoic acid
  528590.9477  0.4003 -5.3813 3 1219.7576141  72503 303704922      694921        s-trans-Propenoic acid
  528759.9049  0.2436 -5.2397 3  852.8971121  72503 303603921      603822        s-trans-Propenoic acid
  528759.9049  0.2436 -5.2397 3  852.8971121  72503 303603922      603823        s-trans-Propenoic acid
  528840.6089  0.3828 -5.3181 3 1197.5360141  72503 303704822      694821        s-trans-Propenoic acid
  528840.6089  0.3828 -5.3181 3 1197.5360141  72503 303704823      694822        s-trans-Propenoic acid
  528964.9605  0.0093 -5.0394 3  243.7262 75  72503 30337 928      36 829        s-trans-Propenoic acid
  528983.8372  0.1211 -4.4371 3  860.4488139  72503 303693039      683038        s-trans-Propenoic acid
  528983.8372  0.1211 -4.4371 3  860.4488139  72503 303693040      683039        s-trans-Propenoic acid
  529032.9935  0.2404 -5.2258 3  837.7290119  72503 303593920      593821        s-trans-Propenoic acid
  529032.9935  0.2404 -5.2258 3  837.7290119  72503 303593921      593822        s-trans-Propenoic acid
  529038.6457  0.0309 -4.8631 3  724.0615139  72503 303691554      681653        s-trans-Propenoic acid
  529100.3116  0.3657 -5.2567 3 1175.7788141  72503 303704723      694722        s-trans-Propenoic acid
  529100.3116  0.3657 -5.2567 3 1175.7788141  72503 303704724      694723        s-trans-Propenoic acid
  529197.0090  0.0292 -4.1024 3  718.1660135  72503 303672048      662047        s-trans-Propenoic acid
  529219.5559  0.0118 -4.9677 3  267.5612 79  72503 303391029      38 930        s-trans-Propenoic acid
  529294.0540  0.2376 -5.2133 3  822.8178117  72503 303583919      583820        s-trans-Propenoic acid
  529294.0540  0.2376 -5.2133 3  822.8178117  72503 303583920      583821        s-trans-Propenoic acid
  529371.1104  0.3489 -5.1972 3 1154.4867141  72503 303704624      694623        s-trans-Propenoic acid
  529371.1104  0.3489 -5.1972 3 1154.4867141  72503 303704625      694624        s-trans-Propenoic acid
  529516.8201  0.0437 -3.9642 3  268.8082 55  72503 3032724 3      2623 4        s-trans-Propenoic acid
  529516.8201  0.0437 -3.9642 3  268.8082 55  72503 3032724 4      2623 3        s-trans-Propenoic acid
  529518.0805  0.0055 -5.4476 3  208.2322 65  72503 303321221      311022        s-trans-Propenoic acid
  529543.4880  0.2352 -5.2024 3  808.1634115  72503 303573918      573819        s-trans-Propenoic acid
  529543.4880  0.2352 -5.2024 3  808.1634115  72503 303573919      573820        s-trans-Propenoic acid
  529605.5705  0.0333 -4.6515 3  433.4943103  72503 303511537      501436        s-trans-Propenoic acid
  529654.1862  0.3325 -5.1394 3 1133.6605141  72503 303704525      694524        s-trans-Propenoic acid
  529654.1862  0.3325 -5.1394 3 1133.6605141  72503 303704526      694525        s-trans-Propenoic acid
  529768.1485  0.0347 -4.0920 3  724.0615139  72503 303691654      681653        s-trans-Propenoic acid
  529781.6868  0.2332 -5.1932 3  793.7653113  72503 303563917      563818        s-trans-Propenoic acid
  529781.6868  0.2332 -5.1932 3  793.7653113  72503 303563918      563819        s-trans-Propenoic acid
  529782.6050  0.0250 -4.0650 3  703.7376135  72503 303671850      661849        s-trans-Propenoic acid
  529851.7270  0.1105 -4.4017 3  847.2837139  72503 303692940      682939        s-trans-Propenoic acid
  529851.7270  0.1105 -4.4017 3  847.2837139  72503 303692941      682940        s-trans-Propenoic acid
  529950.8658  0.3164 -5.0833 3 1113.3010141  72503 303704426      694425        s-trans-Propenoic acid
  529950.8658  0.3164 -5.0833 3 1113.3010141  72503 303704427      694426        s-trans-Propenoic acid
  529953.3654  0.0512 -4.1980 3  761.8014137  72503 303682346      672345        s-trans-Propenoic acid
  529969.9937  0.0512 -4.1980 3  761.8020137  72503 303682345      672344        s-trans-Propenoic acid
  529981.2360  0.0799 -4.8321 3  556.5428119  72503 303591644      581543        s-trans-Propenoic acid
  530009.0320  0.2315 -5.1857 3  779.6236111  72503 303553916      553817        s-trans-Propenoic acid
  530009.0320  0.2315 -5.1857 3  779.6236111  72503 303553917      553818        s-trans-Propenoic acid
  530225.8960  0.2302 -5.1802 3  765.7379109  72503 303543915      543816        s-trans-Propenoic acid
  530225.8960  0.2302 -5.1802 3  765.7379109  72503 303543916      543817        s-trans-Propenoic acid
  530233.9363  0.0301 -4.0061 3  670.5044131  72503 303651847      641846        s-trans-Propenoic acid
  530242.7016  0.0365 -4.0912 3  724.0214139  72503 303691554      681553        s-trans-Propenoic acid
  530262.6446  0.3007 -5.0288 3 1093.4092141  72503 303704327      694326        s-trans-Propenoic acid
  530262.6446  0.3007 -5.0288 3 1093.4092141  72503 303704328      694327        s-trans-Propenoic acid
  530277.2482  0.0091 -5.3819 3  243.6824 75  72503 30337 928      36 729        s-trans-Propenoic acid
  530432.6419  0.2291 -5.1768 3  752.1081107  72503 303533914      533815        s-trans-Propenoic acid
  530432.6419  0.2291 -5.1768 3  752.1081107  72503 303533915      533816        s-trans-Propenoic acid
  530479.5667  0.0314 -4.0525 3  693.8106133  72503 303661947      651946        s-trans-Propenoic acid
  530582.7792  0.0394 -4.0458 3  696.1568135  72503 303671651      661650        s-trans-Propenoic acid
  530591.2148  0.2853 -4.9759 3 1073.9861141  72503 303704228      694227        s-trans-Propenoic acid
  530591.2148  0.2853 -4.9759 3 1073.9861141  72503 303704229      694228        s-trans-Propenoic acid
  530629.6241  0.2282 -5.1758 3  738.7340105  72503 303523913      523814        s-trans-Propenoic acid
  530629.6241  0.2282 -5.1758 3  738.7340105  72503 303523914      523815        s-trans-Propenoic acid
  530745.8250  0.0368 -3.9902 3  272.3076 59  72503 3032923 6      2822 7        s-trans-Propenoic acid
  530745.8250  0.0368 -3.9902 3  272.3076 59  72503 3032923 7      2822 6        s-trans-Propenoic acid
  530817.1882  0.2276 -5.1775 3  725.6154103  72503 303513912      513813        s-trans-Propenoic acid
  530817.1882  0.2276 -5.1775 3  725.6154103  72503 303513913      513814        s-trans-Propenoic acid
  530825.4652  0.1003 -4.3675 3  834.6305139  72503 303692842      682841        s-trans-Propenoic acid
  530825.4654  0.1003 -4.3675 3  834.6305139  72503 303692841      682840        s-trans-Propenoic acid
  530845.0741  0.0063 -5.6685 3  175.1925 55  72503 303271314      261115        s-trans-Propenoic acid
  530860.5192  0.0063 -5.6685 3  175.1920 55  72503 303271315      261116        s-trans-Propenoic acid
  530938.4979  0.2702 -4.9245 3 1055.0330141  72503 303704129      694128        s-trans-Propenoic acid
  530938.4979  0.2702 -4.9245 3 1055.0330141  72503 303704130      694129        s-trans-Propenoic acid
  530972.2044  0.0405 -4.8598 3  724.0214139  72503 303691654      681553        s-trans-Propenoic acid
  530990.4143  0.0254 -4.0802 3  710.7408135  72503 303671949      661948        s-trans-Propenoic acid
  530995.6714  0.2271 -5.1822 3  712.7522101  72503 303503911      503812        s-trans-Propenoic acid
  530995.6714  0.2271 -5.1822 3  712.7522101  72503 303503912      503813        s-trans-Propenoic acid
  531151.7154  0.0310 -4.0767 3  714.2373137  72503 303681752      671751        s-trans-Propenoic acid
  531165.4028  0.2269 -5.1903 3  700.1440 99  72503 303493910      493811        s-trans-Propenoic acid
  531165.4028  0.2269 -5.1903 3  700.1440 99  72503 303493911      493812        s-trans-Propenoic acid
  531306.6861  0.2555 -4.8746 3 1036.5510141  72503 303704030      694029        s-trans-Propenoic acid
  531306.6861  0.2555 -4.8746 3 1036.5510141  72503 303704031      694030        s-trans-Propenoic acid
  531326.7035  0.2267 -5.2024 3  687.7909 97  72503 3034839 9      483810        s-trans-Propenoic acid
  531326.7035  0.2267 -5.2024 3  687.7909 97  72503 303483910      483811        s-trans-Propenoic acid
  531479.8865  0.2267 -5.2193 3  675.6925 95  72503 3034739 8      4738 9        s-trans-Propenoic acid
  531479.8865  0.2267 -5.2193 3  675.6925 95  72503 3034739 9      473810        s-trans-Propenoic acid
  531505.6831  0.0090 -4.4136 3  357.1214 91  72503 303451530      441431        s-trans-Propenoic acid
  531619.1074  0.0591 -4.1590 3  804.6709165  72503 30382 379      81 378        s-trans-Propenoic acid
  531619.1074  0.0591 -4.5779 3  804.6709165  72503 30382 379      81 478        s-trans-Propenoic acid
  531619.1074  0.0591 -4.5779 3  804.6709165  72503 30382 479      81 378        s-trans-Propenoic acid
  531619.1074  0.0591 -4.1590 3  804.6709165  72503 30382 479      81 478        s-trans-Propenoic acid
  531621.3600  0.0537 -4.1621 3  802.5945163  72503 30381 477      80 476        s-trans-Propenoic acid
  531621.3600  0.0537 -4.5947 3  802.5945163  72503 30381 477      80 576        s-trans-Propenoic acid
  531621.3600  0.0537 -4.5947 3  802.5945163  72503 30381 577      80 476        s-trans-Propenoic acid
  531621.3600  0.0537 -4.1621 3  802.5945163  72503 30381 577      80 576        s-trans-Propenoic acid
  531622.1043  0.0671 -4.1549 3  806.2240167  72503 30383 281      82 280        s-trans-Propenoic acid
  531622.1043  0.0671 -4.5610 3  806.2240167  72503 30383 281      82 380        s-trans-Propenoic acid
  531622.1043  0.0671 -4.5610 3  806.2240167  72503 30383 381      82 280        s-trans-Propenoic acid
  531622.1043  0.0671 -4.1549 3  806.2240167  72503 30383 381      82 380        s-trans-Propenoic acid
  531625.2575  0.2268 -5.2419 3  663.8487 93  72503 3034639 7      4638 8        s-trans-Propenoic acid
  531625.2575  0.2268 -5.2419 3  663.8487 93  72503 3034639 8      4638 9        s-trans-Propenoic acid
  531627.1632  0.0784 -4.1497 3  807.2590169  72503 30384 183      83 182        s-trans-Propenoic acid
  531627.1632  0.0784 -4.5441 3  807.2590169  72503 30384 183      83 282        s-trans-Propenoic acid
  531627.1632  0.0784 -4.5441 3  807.2590169  72503 30384 283      83 182        s-trans-Propenoic acid
  531627.1632  0.0784 -4.1497 3  807.2590169  72503 30384 283      83 282        s-trans-Propenoic acid
  531631.7884  0.0935 -4.1435 3  807.7804171  72503 30385 085      84 084        s-trans-Propenoic acid
  531631.7884  0.0935 -4.5269 3  807.7804171  72503 30385 085      84 184        s-trans-Propenoic acid
  531631.7884  0.0935 -4.5269 3  807.7804171  72503 30385 185      84 084        s-trans-Propenoic acid
  531631.7884  0.0935 -4.1435 3  807.7804171  72503 30385 185      84 184        s-trans-Propenoic acid
  531632.9794  0.0502 -4.1642 3  799.9885161  72503 30380 575      79 574        s-trans-Propenoic acid
  531632.9794  0.0502 -4.6117 3  799.9885161  72503 30380 575      79 674        s-trans-Propenoic acid
  531632.9794  0.0502 -4.6117 3  799.9885161  72503 30380 675      79 574        s-trans-Propenoic acid
  531632.9794  0.0502 -4.1642 3  799.9885161  72503 30380 675      79 674        s-trans-Propenoic acid
  531659.3518  0.0482 -4.1652 3  796.8453159  72503 30379 673      78 672        s-trans-Propenoic acid
  531659.3518  0.0482 -4.6290 3  796.8453159  72503 30379 673      78 772        s-trans-Propenoic acid
  531659.3518  0.0482 -4.6290 3  796.8453159  72503 30379 773      78 672        s-trans-Propenoic acid
  531659.3518  0.0482 -4.1652 3  796.8453159  72503 30379 773      78 772        s-trans-Propenoic acid
  531698.2916  0.2412 -4.8262 3 1018.5416141  72503 303703931      693930        s-trans-Propenoic acid
  531698.2916  0.2412 -4.8262 3 1018.5416141  72503 303703932      693931        s-trans-Propenoic acid
  531707.6274  0.0468 -4.1651 3  793.1561157  72503 30378 771      77 770        s-trans-Propenoic acid
  531707.6274  0.0468 -4.6467 3  793.1561157  72503 30378 771      77 870        s-trans-Propenoic acid
  531707.6274  0.0468 -4.6467 3  793.1561157  72503 30378 871      77 770        s-trans-Propenoic acid
  531707.6274  0.0468 -4.1651 3  793.1561157  72503 30378 871      77 870        s-trans-Propenoic acid
  531763.1143  0.2270 -5.2719 3  652.2595 91  72503 3034539 6      4538 7        s-trans-Propenoic acid
  531763.1143  0.2270 -5.2719 3  652.2595 91  72503 3034539 7      4538 8        s-trans-Propenoic acid
  531787.4659  0.0459 -4.1638 3  788.9096155  72503 30377 869      76 868        s-trans-Propenoic acid
  531787.4659  0.0459 -4.6650 3  788.9096155  72503 30377 869      76 968        s-trans-Propenoic acid
  531787.4659  0.0459 -4.6650 3  788.9096155  72503 30377 969      76 868        s-trans-Propenoic acid
  531787.4659  0.0459 -4.1638 3  788.9096155  72503 30377 969      76 968        s-trans-Propenoic acid
  531847.1254  0.0082 -4.5442 3  363.5455 93  72503 303461432      451333        s-trans-Propenoic acid
  531893.7476  0.2273 -5.3111 3  640.9245 89  72503 3034439 5      4438 6        s-trans-Propenoic acid
  531893.7476  0.2273 -5.3111 3  640.9245 89  72503 3034439 6      4438 7        s-trans-Propenoic acid
  531912.1949  0.0450 -4.1613 3  784.0922153  72503 30376 967      75 966        s-trans-Propenoic acid
  531912.1949  0.0450 -4.6845 3  784.0922153  72503 30376 967      751066        s-trans-Propenoic acid
  531912.1949  0.0450 -4.6845 3  784.0922153  72503 303761067      75 966        s-trans-Propenoic acid
  531912.1949  0.0450 -4.1613 3  784.0922153  72503 303761067      751066        s-trans-Propenoic acid
  531927.8214  0.0903 -4.3345 3  822.4985139  72503 303692743      682742        s-trans-Propenoic acid
  531927.8238  0.0903 -4.3345 3  822.4985139  72503 303692742      682741        s-trans-Propenoic acid
  531939.2786  0.0306 -4.0190 3  277.3155 63  72503 3033122 9      302110        s-trans-Propenoic acid
  531939.2786  0.0306 -4.0190 3  277.3155 63  72503 303312210      3021 9        s-trans-Propenoic acid
  531952.5816  0.0118 -4.4471 3  369.0946 93  72503 303461532      451431        s-trans-Propenoic acid
  532017.4406  0.2276 -5.3630 3  629.8437 87  72503 3034339 4      4338 5        s-trans-Propenoic acid
  532017.4406  0.2276 -5.3630 3  629.8437 87  72503 3034339 5      4338 6        s-trans-Propenoic acid
  532039.1574  0.0298 -4.0981 3  718.3194135  72503 303672047      662046        s-trans-Propenoic acid
  532100.6899  0.0440 -4.7053 3  778.6869151  72503 303751065      741164        s-trans-Propenoic acid
  532100.6899  0.0440 -4.1575 3  778.6869151  72503 303751165      741164        s-trans-Propenoic acid
  532100.6900  0.0440 -4.1575 3  778.6869151  72503 303751065      741064        s-trans-Propenoic acid
  532100.6901  0.0440 -4.7053 3  778.6869151  72503 303751165      741064        s-trans-Propenoic acid
  532116.2078  0.2271 -4.7792 3 1001.0065141  72503 303703832      693831        s-trans-Propenoic acid
  532116.2078  0.2271 -4.7792 3 1001.0065141  72503 303703833      693832        s-trans-Propenoic acid
  532134.4696  0.2280 -5.4329 3  619.0169 85  72503 3034239 3      4238 4        s-trans-Propenoic acid
  532134.4696  0.2280 -5.4329 3  619.0169 85  72503 3034239 4      4238 5        s-trans-Propenoic acid
  532135.3195  0.0126 -4.6679 3  346.6616 91  72503 303451332      441233        s-trans-Propenoic acid
  532245.1038  0.2284 -5.5312 3  608.4439 83  72503 3034139 2      4138 3        s-trans-Propenoic acid
  532245.1038  0.2284 -5.5312 3  608.4439 83  72503 3034139 3      4138 4        s-trans-Propenoic acid
  532310.0196  0.0432 -4.1700 3  752.4690137  72503 303682247      672246        s-trans-Propenoic acid
  532349.6052  0.2289 -5.6811 3  598.1246 81  72503 3034039 1      4038 2        s-trans-Propenoic acid
  532349.6052  0.2289 -5.6811 3  598.1246 81  72503 3034039 2      4038 3        s-trans-Propenoic acid
  532380.5849  0.0430 -4.7282 3  772.6716149  72503 303741163      731262        s-trans-Propenoic acid
  532380.5874  0.0430 -4.1522 3  772.6716149  72503 303741263      731262        s-trans-Propenoic acid
  532380.5897  0.0430 -4.1522 3  772.6716149  72503 303741163      731162        s-trans-Propenoic acid
  532380.5922  0.0430 -4.7282 3  772.6716149  72503 303741263      731162        s-trans-Propenoic acid
  532440.5462  0.0431 -4.1698 3  752.4745137  72503 303682246      672245        s-trans-Propenoic acid
  532473.1896  0.0191 -4.9518 3  731.9546139  72503 303691653      681752        s-trans-Propenoic acid
  532563.7862  0.2134 -4.7336 3  983.9475141  72503 303703733      693732        s-trans-Propenoic acid
  532563.7862  0.2134 -4.7336 3  983.9475141  72503 303703734      693733        s-trans-Propenoic acid
  532731.6112  0.0055 -5.6368 3  169.4257 63  72503 30331 427      30 328        s-trans-Propenoic acid
  532746.3987  0.0055 -5.6367 3  169.4257 63  72503 30331 527      30 228        s-trans-Propenoic acid
  532794.0658  0.0418 -4.7540 3  766.0174147  72503 303731261      721360        s-trans-Propenoic acid
  532794.1358  0.0418 -4.1454 3  766.0174147  72503 303731361      721360        s-trans-Propenoic acid
  532794.1972  0.0418 -4.1454 3  766.0174147  72503 303731261      721260        s-trans-Propenoic acid
  532794.2672  0.0418 -4.7540 3  766.0174147  72503 303731361      721260        s-trans-Propenoic acid
  532902.9400  0.0109 -5.2957 3  267.4383 79  72503 303391029      38 830        s-trans-Propenoic acid
  532953.3606  0.0070 -5.1199 3  307.1154 85  72503 303421230      411031        s-trans-Propenoic acid
  533044.9330  0.2001 -4.6894 3  967.3668141  72503 303703634      693633        s-trans-Propenoic acid
  533044.9330  0.2001 -4.6894 3  967.3668141  72503 303703635      693634        s-trans-Propenoic acid
  533064.9737  0.0251 -4.0512 3  283.8467 67  72503 303332112      322013        s-trans-Propenoic acid
  533064.9737  0.0251 -4.0512 3  283.8467 67  72503 303332113      322012        s-trans-Propenoic acid
  533189.2905  0.0806 -4.3026 3  810.8993139  72503 303692644      682643        s-trans-Propenoic acid
  533189.3213  0.0806 -4.3026 3  810.8993139  72503 303692643      682642        s-trans-Propenoic acid
  533205.3414  0.0196 -3.9876 3  665.8865131  72503 303651748      641747        s-trans-Propenoic acid
  533407.8479  0.0405 -4.7840 3  758.6847145  72503 303721359      711458        s-trans-Propenoic acid
  533409.4558  0.0406 -4.1369 3  758.6847145  72503 303721459      711458        s-trans-Propenoic acid
  533410.7685  0.0406 -4.1369 3  758.6846145  72503 303721359      711358        s-trans-Propenoic acid
  533412.3763  0.0406 -4.7840 3  758.6846145  72503 303721459      711358        s-trans-Propenoic acid
  533564.2325  0.1871 -4.6466 3  951.2667141  72503 303703535      693534        s-trans-Propenoic acid
  533564.2325  0.1871 -4.6466 3  951.2667141  72503 303703536      693535        s-trans-Propenoic acid
  533622.5308  0.0097 -4.3120 3  340.4859 87  72503 303431628      421527        s-trans-Propenoic acid
  533750.1251  0.0580 -5.0845 3  757.4490141  72503 303701753      691852        s-trans-Propenoic acid
  533754.7503  0.0097 -4.3118 3  340.4822 87  72503 303431627      421528        s-trans-Propenoic acid
  533795.6369  0.0057 -5.1870 3  207.8543 69  72503 30334 727      33 628        s-trans-Propenoic acid
  533858.7780  0.0057 -5.5587 3  207.8522 69  72503 30334 727      33 528        s-trans-Propenoic acid
  534070.0220  0.0204 -4.0876 3  291.9215 71  72503 303352015      341916        s-trans-Propenoic acid
  534070.0220  0.0204 -4.0876 3  291.9215 71  72503 303352016      341915        s-trans-Propenoic acid
  534127.1068  0.1744 -4.6051 3  935.6501141  72503 303703436      693435        s-trans-Propenoic acid
  534127.1068  0.1744 -4.6051 3  935.6501141  72503 303703437      693436        s-trans-Propenoic acid
  534172.6862  0.0272 -4.6052 3  419.9152101  72503 303501536      491435        s-trans-Propenoic acid
  534309.4153  0.0391 -4.8207 3  750.6168143  72503 303711457      701556        s-trans-Propenoic acid
  534339.2669  0.0393 -4.1262 3  750.6168143  72503 303711557      701556        s-trans-Propenoic acid
  534361.6200  0.0394 -4.1261 3  750.6150143  72503 303711457      701456        s-trans-Propenoic acid
  534391.4717  0.0396 -4.8206 3  750.6150143  72503 303711557      701456        s-trans-Propenoic acid
  534638.2074  0.4821 -5.7663 3 1227.9160161  72503 303804040      803941        s-trans-Propenoic acid
  534638.2074  0.4821 -5.7663 3 1227.9160161  72503 303804041      803942        s-trans-Propenoic acid
  534652.1092  0.0712 -4.2719 3  799.8484139  72503 303692545      682544        s-trans-Propenoic acid
  534652.4570  0.0712 -4.2718 3  799.8484139  72503 303692544      682543        s-trans-Propenoic acid
  534740.0256  0.1620 -4.5649 3  920.5203141  72503 303703337      693336        s-trans-Propenoic acid
  534740.0256  0.1620 -4.5649 3  920.5203141  72503 303703338      693337        s-trans-Propenoic acid
  534866.3526  0.0164 -4.1295 3  301.5687 75  72503 303371919      361818        s-trans-Propenoic acid
  534866.3528  0.0164 -4.1295 3  301.5687 75  72503 303371918      361819        s-trans-Propenoic acid
  535069.0672  0.5177 -5.7300 3 1355.4039143  72503 303715417      705416        s-trans-Propenoic acid
  535069.0672  0.5177 -5.7300 3 1355.4039143  72503 303715418      705417        s-trans-Propenoic acid
  535098.9344  0.0109 -4.2375 3  325.7675 83  72503 303411725      401624        s-trans-Propenoic acid
  535101.4333  0.0109 -4.2375 3  325.7674 83  72503 303411724      401625        s-trans-Propenoic acid
  535101.5257  0.0361 -4.1430 3  743.7986137  72503 303682148      672147        s-trans-Propenoic acid
  535108.0165  0.0057 -5.4166 3  216.5918 67  72503 303331222      321023        s-trans-Propenoic acid
  535120.0578  0.0414 -4.0691 3  713.8552137  72503 303681652      671651        s-trans-Propenoic acid
  535138.8260  0.0141 -4.4798 3  381.2861 95  72503 303471533      461432        s-trans-Propenoic acid
  535213.0692  0.4619 -5.7329 3 1207.5794159  72503 303794039      793940        s-trans-Propenoic acid
  535213.0692  0.4619 -5.7329 3 1207.5794159  72503 303794040      793941        s-trans-Propenoic acid
  535283.4448  0.0353 -4.8697 3  741.7327141  72503 303701555      691654        s-trans-Propenoic acid
  535287.8282  0.4975 -5.6573 3 1330.8766143  72503 303715318      705317        s-trans-Propenoic acid
  535287.8282  0.4975 -5.6573 3 1330.8766143  72503 303715319      705318        s-trans-Propenoic acid
  535302.3227  0.0132 -4.1785 3  312.8297 79  72503 303391822      381721        s-trans-Propenoic acid
  535302.3499  0.0132 -4.1785 3  312.8297 79  72503 303391821      381722        s-trans-Propenoic acid
  535410.7864  0.1499 -4.5260 3  905.8811141  72503 303703238      693237        s-trans-Propenoic acid
  535410.7864  0.1499 -4.5260 3  905.8811141  72503 303703239      693238        s-trans-Propenoic acid
  535513.0819  0.4776 -5.5868 3 1306.8109143  72503 303715219      705218        s-trans-Propenoic acid
  535513.0819  0.4776 -5.5868 3 1306.8109143  72503 303715220      705219        s-trans-Propenoic acid
  535649.7737  0.0051 -5.4423 3  181.9693 65  72503 30332 527      31 428        s-trans-Propenoic acid
  535720.7384  0.0378 -4.1129 3  741.7327141  72503 303701655      691654        s-trans-Propenoic acid
  535745.4809  0.4582 -5.5186 3 1283.2074143  72503 303715120      705119        s-trans-Propenoic acid
  535745.4809  0.4582 -5.5186 3 1283.2074143  72503 303715121      705120        s-trans-Propenoic acid
  535766.9128  0.0051 -5.4422 3  181.9693 65  72503 30332 627      31 328        s-trans-Propenoic acid
  535766.9662  0.4428 -5.7003 3 1187.5042157  72503 303784038      783939        s-trans-Propenoic acid
  535766.9662  0.4428 -5.7003 3 1187.5042157  72503 303784039      783940        s-trans-Propenoic acid
  535803.2146  0.1378 -5.2407 3  801.9027145  72503 303721854      711953        s-trans-Propenoic acid
  535807.1588  0.0510 -3.9428 3  273.1070 53  72503 3032625 1      2524 2        s-trans-Propenoic acid
  535807.1588  0.0510 -3.9428 3  273.1070 53  72503 3032625 2      2524 1        s-trans-Propenoic acid
  535954.6573  0.0354 -4.1417 3  743.8394137  72503 303682147      672146        s-trans-Propenoic acid
  535985.7466  0.4391 -5.4524 3 1260.0668143  72503 303715021      705020        s-trans-Propenoic acid
  535985.7466  0.4391 -5.4524 3 1260.0668143  72503 303715022      705021        s-trans-Propenoic acid
  536012.9477  0.0391 -4.1124 3  741.7084141  72503 303701555      691554        s-trans-Propenoic acid
  536091.4748  0.3668 -5.5797 3  914.8138155  72503 303772057      762156        s-trans-Propenoic acid
  536148.8977  0.1382 -4.4884 3  891.7371141  72503 303703139      693138        s-trans-Propenoic acid
  536148.8977  0.1382 -4.4884 3  891.7371141  72503 303703140      693139        s-trans-Propenoic acid
  536234.6783  0.4203 -5.3881 3 1237.3895143  72503 303714922      704921        s-trans-Propenoic acid
  536234.6783  0.4203 -5.3881 3 1237.3895143  72503 303714923      704922        s-trans-Propenoic acid
  536300.5336  0.4248 -5.6685 3 1167.6901155  72503 303774037      773938        s-trans-Propenoic acid
  536300.5336  0.4248 -5.6685 3 1167.6901155  72503 303774038      773939        s-trans-Propenoic acid
  536360.4908  0.0114 -5.2027 3  292.3460 83  72503 303411130      40 931        s-trans-Propenoic acid
  536376.7473  0.0620 -4.2421 3  789.3657139  72503 303692446      682445        s-trans-Propenoic acid
  536380.2221  0.0620 -4.2421 3  789.3658139  72503 303692445      682444        s-trans-Propenoic acid
  536450.2412  0.0418 -4.8677 3  741.7084141  72503 303701655      691554        s-trans-Propenoic acid
  536493.1641  0.4020 -5.3258 3 1215.1762143  72503 303714823      704822        s-trans-Propenoic acid
  536493.1641  0.4020 -5.3258 3 1215.1762143  72503 303714824      704823        s-trans-Propenoic acid
  536554.3281  0.0051 -5.2968 3  194.7860 67  72503 30333 627      32 528        s-trans-Propenoic acid
  536561.9683  0.0051 -5.6779 3  194.7858 67  72503 30333 627      32 428        s-trans-Propenoic acid
  536566.1049  0.0218 -4.5595 3  406.6871 99  72503 303491535      481434        s-trans-Propenoic acid
  536762.1931  0.3840 -5.2652 3 1193.4277143  72503 303714724      704723        s-trans-Propenoic acid
  536762.1931  0.3840 -5.2652 3 1193.4277143  72503 303714725      704724        s-trans-Propenoic acid
  536802.4851  0.0174 -4.5173 3  393.8129 97  72503 303481534      471433        s-trans-Propenoic acid
  536814.3868  0.4080 -5.6375 3 1148.1367153  72503 303764036      763937        s-trans-Propenoic acid
  536814.3868  0.4080 -5.6375 3 1148.1367153  72503 303764037      763938        s-trans-Propenoic acid
  536829.8073  0.0281 -4.0836 3  721.4093137  72503 303681851      671850        s-trans-Propenoic acid
  536966.1119  0.1268 -4.4520 3  878.0938141  72503 303703040      693039        s-trans-Propenoic acid
  536966.1119  0.1268 -4.4520 3  878.0938141  72503 303703041      693040        s-trans-Propenoic acid
  537042.8705  0.3663 -5.2064 3 1172.1446143  72503 303714625      704624        s-trans-Propenoic acid
  537042.8705  0.3663 -5.2064 3 1172.1446143  72503 303714626      704625        s-trans-Propenoic acid
  537048.5214  0.0434 -3.9671 3  275.6208 57  72503 3032824 4      2723 5        s-trans-Propenoic acid
  537048.5214  0.0434 -3.9671 3  275.6208 57  72503 3032824 5      2723 4        s-trans-Propenoic acid
  537251.4469  0.0062 -5.6261 3  182.1393 57  72503 303281315      271116        s-trans-Propenoic acid
  537275.5347  0.0346 -4.0973 3  731.9546139  72503 303691753      681752        s-trans-Propenoic acid
  537283.7240  0.0051 -5.6770 3  194.7860 67  72503 30333 727      32 528        s-trans-Propenoic acid
  537286.6183  0.0062 -5.6261 3  182.1381 57  72503 303281316      271117        s-trans-Propenoic acid
  537291.3641  0.0051 -5.2959 3  194.7858 67  72503 30333 727      32 428        s-trans-Propenoic acid
  537309.1222  0.3922 -5.6073 3 1128.8438151  72503 303754035      753936        s-trans-Propenoic acid
  537309.1222  0.3922 -5.6073 3 1128.8438151  72503 303754036      753937        s-trans-Propenoic acid
  537336.4340  0.3491 -5.1493 3 1151.3278143  72503 303714526      704525        s-trans-Propenoic acid
  537336.4340  0.3491 -5.1493 3 1151.3278143  72503 303714527      704526        s-trans-Propenoic acid
  537428.8777  0.0053 -5.5546 3  207.8543 69  72503 30334 827      33 628        s-trans-Propenoic acid
  537431.1856  0.0056 -5.4542 3  221.1495 71  72503 30335 927      34 728        s-trans-Propenoic acid
  537492.0189  0.0053 -5.1832 3  207.8522 69  72503 30334 827      33 528        s-trans-Propenoic acid
  537644.2751  0.3322 -5.0938 3 1130.9783143  72503 303714427      704426        s-trans-Propenoic acid
  537644.2751  0.3322 -5.0938 3 1130.9783143  72503 303714428      704427        s-trans-Propenoic acid
  537785.3185  0.3774 -5.5780 3 1109.8111149  72503 303744034      743935        s-trans-Propenoic acid
  537785.3185  0.3774 -5.5780 3 1109.8111149  72503 303744035      743936        s-trans-Propenoic acid
  537814.8552  0.0635 -4.1808 3  822.4038167  72503 30383 380      82 379        s-trans-Propenoic acid
  537814.8552  0.0635 -4.5991 3  822.4038167  72503 30383 380      82 479        s-trans-Propenoic acid
  537814.8552  0.0635 -4.5991 3  822.4038167  72503 30383 480      82 379        s-trans-Propenoic acid
  537814.8552  0.0635 -4.1808 3  822.4038167  72503 30383 480      82 479        s-trans-Propenoic acid
  537816.5454  0.0577 -4.1838 3  820.3275165  72503 30382 478      81 477        s-trans-Propenoic acid
  537816.5454  0.0577 -4.6156 3  820.3275165  72503 30382 478      81 577        s-trans-Propenoic acid
  537816.5454  0.0577 -4.6156 3  820.3275165  72503 30382 578      81 477        s-trans-Propenoic acid
  537816.5454  0.0577 -4.1838 3  820.3275165  72503 30382 578      81 577        s-trans-Propenoic acid
  537818.1470  0.0721 -4.1767 3  823.9570169  72503 30384 282      83 281        s-trans-Propenoic acid
  537818.1470  0.0721 -4.5825 3  823.9570169  72503 30384 282      83 381        s-trans-Propenoic acid
  537818.1470  0.0721 -4.5825 3  823.9570169  72503 30384 382      83 281        s-trans-Propenoic acid
  537818.1470  0.0721 -4.1767 3  823.9570169  72503 30384 382      83 381        s-trans-Propenoic acid
  537823.3290  0.0841 -4.1716 3  824.9922171  72503 30385 184      84 183        s-trans-Propenoic acid
  537823.3290  0.0841 -4.5658 3  824.9922171  72503 30385 184      84 283        s-trans-Propenoic acid
  537823.3290  0.0841 -4.5658 3  824.9922171  72503 30385 284      84 183        s-trans-Propenoic acid
  537823.3290  0.0841 -4.1716 3  824.9922171  72503 30385 284      84 283        s-trans-Propenoic acid
  537827.1959  0.0540 -4.1858 3  817.7218163  72503 30381 576      80 575        s-trans-Propenoic acid
  537827.1959  0.0540 -4.6323 3  817.7218163  72503 30381 576      80 675        s-trans-Propenoic acid
  537827.1959  0.0540 -4.6323 3  817.7218163  72503 30381 676      80 575        s-trans-Propenoic acid
  537827.1959  0.0540 -4.1858 3  817.7218163  72503 30381 676      80 675        s-trans-Propenoic acid
  537827.9714  0.1000 -4.1655 3  825.5137173  72503 30386 086      85 085        s-trans-Propenoic acid
  537827.9714  0.1000 -4.5488 3  825.5137173  72503 30386 086      85 185        s-trans-Propenoic acid
  537827.9714  0.1000 -4.5488 3  825.5137173  72503 30386 186      85 085        s-trans-Propenoic acid
  537827.9714  0.1000 -4.1655 3  825.5137173  72503 30386 186      85 185        s-trans-Propenoic acid
  537847.3815  0.0056 -5.0988 3  221.1356 71  72503 30335 927      34 628        s-trans-Propenoic acid
  537851.9888  0.0517 -4.1867 3  814.5796161  72503 30380 674      79 673        s-trans-Propenoic acid
  537851.9888  0.0517 -4.6491 3  814.5796161  72503 30380 674      79 773        s-trans-Propenoic acid
  537851.9888  0.0517 -4.6491 3  814.5796161  72503 30380 774      79 673        s-trans-Propenoic acid
  537851.9888  0.0517 -4.1867 3  814.5796161  72503 30380 774      79 773        s-trans-Propenoic acid
  537859.7002  0.0304 -4.1177 3  735.8181137  72503 303682049      672048        s-trans-Propenoic acid
  537877.1916  0.1157 -4.4168 3  864.9577141  72503 303702941      692940        s-trans-Propenoic acid
  537877.1916  0.1157 -4.4168 3  864.9577141  72503 303702942      692941        s-trans-Propenoic acid
  537897.7720  0.0502 -4.1865 3  810.8919159  72503 30379 772      78 771        s-trans-Propenoic acid
  537897.7720  0.0502 -4.6664 3  810.8919159  72503 30379 772      78 871        s-trans-Propenoic acid
  537897.7720  0.0502 -4.6664 3  810.8919159  72503 30379 872      78 771        s-trans-Propenoic acid
  537897.7720  0.0502 -4.1865 3  810.8919159  72503 30379 872      78 871        s-trans-Propenoic acid
  537917.5978  0.0059 -5.3311 3  239.0762 73  72503 303361126      35 927        s-trans-Propenoic acid
  537967.9631  0.3156 -5.0399 3 1111.0969143  72503 303714328      704327        s-trans-Propenoic acid
  537967.9631  0.3156 -5.0399 3 1111.0969143  72503 303714329      704328        s-trans-Propenoic acid
  537973.7488  0.0492 -4.1851 3  806.6481157  72503 30378 870      77 869        s-trans-Propenoic acid
  537973.7488  0.0492 -4.6843 3  806.6481157  72503 30378 870      77 969        s-trans-Propenoic acid
  537973.7488  0.0492 -4.6843 3  806.6481157  72503 30378 970      77 869        s-trans-Propenoic acid
  537973.7488  0.0492 -4.1851 3  806.6481157  72503 30378 970      77 969        s-trans-Propenoic acid
  538092.5416  0.0483 -4.1825 3  801.8349155  72503 30377 968      76 967        s-trans-Propenoic acid
  538092.5416  0.0483 -4.7032 3  801.8349155  72503 30377 968      761067        s-trans-Propenoic acid
  538092.5416  0.0483 -4.7032 3  801.8349155  72503 303771068      76 967        s-trans-Propenoic acid
  538092.5416  0.0483 -4.1825 3  801.8349155  72503 303771068      761067        s-trans-Propenoic acid
  538243.5370  0.3637 -5.5496 3 1091.0383147  72503 303734033      733934        s-trans-Propenoic acid
  538243.5370  0.3637 -5.5496 3 1091.0383147  72503 303734034      733935        s-trans-Propenoic acid
  538269.0444  0.0365 -3.9938 3  279.6352 61  72503 3033023 7      2922 8        s-trans-Propenoic acid
  538269.0444  0.0365 -3.9938 3  279.6352 61  72503 3033023 8      2922 7        s-trans-Propenoic acid
  538271.9000  0.0474 -4.1786 3  796.4359153  72503 303761066      751065        s-trans-Propenoic acid
  538271.9000  0.0474 -4.7233 3  796.4359153  72503 303761066      751165        s-trans-Propenoic acid
  538271.9000  0.0474 -4.1786 3  796.4359153  72503 303761166      751165        s-trans-Propenoic acid
  538271.9001  0.0474 -4.7233 3  796.4359153  72503 303761166      751065        s-trans-Propenoic acid
  538309.2746  0.2994 -4.9875 3 1091.6848143  72503 303714229      704228        s-trans-Propenoic acid
  538309.2746  0.2994 -4.9875 3 1091.6848143  72503 303714230      704229        s-trans-Propenoic acid
  538449.0202  0.0531 -4.2134 3  779.4788139  72503 303692347      682346        s-trans-Propenoic acid
  538479.3067  0.0530 -4.2133 3  779.4799139  72503 303692346      682345        s-trans-Propenoic acid
  538537.5842  0.0463 -4.7453 3  790.4299151  72503 303751164      741263        s-trans-Propenoic acid
  538537.5855  0.0463 -4.1734 3  790.4299151  72503 303751264      741263        s-trans-Propenoic acid
  538537.5867  0.0463 -4.1734 3  790.4299151  72503 303751164      741163        s-trans-Propenoic acid
  538537.5880  0.0463 -4.7453 3  790.4299151  72503 303751264      741163        s-trans-Propenoic acid
  538601.7617  0.0097 -4.4389 3  368.9179 93  72503 303461531      451432        s-trans-Propenoic acid
  538670.2289  0.2836 -4.9366 3 1072.7432143  72503 303714130      704129        s-trans-Propenoic acid
  538670.2289  0.2836 -4.9366 3 1072.7432143  72503 303714131      704130        s-trans-Propenoic acid
  538684.3228  0.3510 -5.5221 3 1072.5253145  72503 303724032      723933        s-trans-Propenoic acid
  538684.3228  0.3510 -5.5221 3 1072.5253145  72503 303724033      723934        s-trans-Propenoic acid
  538867.3028  0.0777 -4.8142 3  540.7032117  72503 303581643      571542        s-trans-Propenoic acid
  538901.0425  0.1048 -4.3828 3  852.3369141  72503 303702843      692842        s-trans-Propenoic acid
  538901.0429  0.1048 -4.3828 3  852.3369141  72503 303702842      692841        s-trans-Propenoic acid
  538928.5110  0.0451 -4.7700 3  783.7895149  72503 303741262      731361        s-trans-Propenoic acid
  538928.5482  0.0451 -4.1666 3  783.7895149  72503 303741362      731361        s-trans-Propenoic acid
  538928.5810  0.0451 -4.1666 3  783.7895149  72503 303741262      731261        s-trans-Propenoic acid
  538928.6182  0.0451 -4.7700 3  783.7895149  72503 303741362      731261        s-trans-Propenoic acid
  539053.1310  0.2681 -4.8872 3 1054.2734143  72503 303714031      704030        s-trans-Propenoic acid
  539053.1310  0.2681 -4.8872 3 1054.2734143  72503 303714032      704031        s-trans-Propenoic acid
  539053.4454  0.0272 -4.0970 3  728.4528137  72503 303681950      671949        s-trans-Propenoic acid
  539108.2053  0.3392 -5.4955 3 1054.2716143  72503 303714031      713932        s-trans-Propenoic acid
  539108.2053  0.3392 -5.4955 3 1054.2716143  72503 303714032      713933        s-trans-Propenoic acid
  539446.5325  0.0303 -4.0234 3  285.1620 65  72503 303322210      312111        s-trans-Propenoic acid
  539446.5325  0.0303 -4.0234 3  285.1620 65  72503 303322211      312110        s-trans-Propenoic acid
  539460.6248  0.2530 -4.8392 3 1036.2771143  72503 303713932      703931        s-trans-Propenoic acid
  539460.6248  0.2530 -4.8392 3 1036.2771143  72503 303713933      703932        s-trans-Propenoic acid
  539505.9306  0.0438 -4.7986 3  776.4773147  72503 303731360      721459        s-trans-Propenoic acid
  539506.8108  0.0438 -4.1580 3  776.4773147  72503 303731460      721459        s-trans-Propenoic acid
  539507.5384  0.0438 -4.1580 3  776.4773147  72503 303731360      721359        s-trans-Propenoic acid
  539508.4186  0.0439 -4.7986 3  776.4773147  72503 303731460      721359        s-trans-Propenoic acid
  539515.6991  0.3283 -5.4698 3 1036.2771141  72503 303704030      703931        s-trans-Propenoic acid
  539515.6991  0.3283 -5.4698 3 1036.2771141  72503 303704031      703932        s-trans-Propenoic acid
  539597.1180  0.0249 -4.0084 3  683.6723133  72503 303661749      651748        s-trans-Propenoic acid
  539895.7589  0.2383 -4.7926 3 1018.7560143  72503 303713833      703832        s-trans-Propenoic acid
  539895.7589  0.2383 -4.7926 3 1018.7560143  72503 303713834      703833        s-trans-Propenoic acid
  539907.3046  0.3184 -5.4450 3 1018.5416139  72503 303694029      693930        s-trans-Propenoic acid
  539907.3046  0.3184 -5.4450 3 1018.5416139  72503 303694030      693931        s-trans-Propenoic acid
  539961.5536  0.0431 -4.0923 3  731.7048139  72503 303691653      681652        s-trans-Propenoic acid
  540062.4576  0.0943 -4.3500 3  840.2417141  72503 303702744      692743        s-trans-Propenoic acid
  540062.4628  0.0943 -4.3500 3  840.2417141  72503 303702743      692742        s-trans-Propenoic acid
  540205.8696  0.0105 -4.3295 3  351.6559 89  72503 303441629      431528        s-trans-Propenoic acid
  540280.2368  0.0246 -4.9491 3  749.8762141  72503 303701654      691753        s-trans-Propenoic acid
  540283.5084  0.3093 -5.4213 3 1001.0647137  72503 303684028      683929        s-trans-Propenoic acid
  540283.5084  0.3093 -5.4213 3 1001.0647137  72503 303684029      683930        s-trans-Propenoic acid
  540352.0347  0.0059 -5.3746 3  234.6495 73  72503 303361027      35 828        s-trans-Propenoic acid
  540358.2313  0.0424 -4.8332 3  768.4404145  72503 303721458      711557        s-trans-Propenoic acid
  540362.0685  0.2239 -4.7474 3 1001.7119143  72503 303713734      703733        s-trans-Propenoic acid
  540362.0685  0.2239 -4.7474 3 1001.7119143  72503 303713735      703734        s-trans-Propenoic acid
  540375.1792  0.0425 -4.1474 3  768.4404145  72503 303721558      711557        s-trans-Propenoic acid
  540388.0830  0.0426 -4.1474 3  768.4394145  72503 303721458      711457        s-trans-Propenoic acid
  540405.0308  0.0428 -4.8332 3  768.4394145  72503 303721558      711457        s-trans-Propenoic acid
  540463.7068  0.0104 -4.3291 3  351.6487 89  72503 303441628      431529        s-trans-Propenoic acid
  540544.7848  0.0249 -4.0566 3  292.2172 69  72503 303342113      332014        s-trans-Propenoic acid
  540544.7848  0.0249 -4.0566 3  292.2172 69  72503 303342114      332013        s-trans-Propenoic acid
  540615.6842  0.0289 -4.0180 3  688.1911133  72503 303661848      651847        s-trans-Propenoic acid
  540644.7842  0.3010 -5.3985 3  983.8463135  72503 303674027      673928        s-trans-Propenoic acid
  540644.7842  0.3010 -5.3985 3  983.8463135  72503 303674028      673929        s-trans-Propenoic acid
  540863.6796  0.2098 -4.7036 3  985.1472143  72503 303713635      703634        s-trans-Propenoic acid
  540863.6796  0.2098 -4.7036 3  985.1472143  72503 303713636      703635        s-trans-Propenoic acid
  540916.8402  0.0058 -5.3878 3  225.2213 69  72503 303341223      331024        s-trans-Propenoic acid
  540963.2043  0.0447 -4.1855 3  770.2249139  72503 303692248      682247        s-trans-Propenoic acid
  540991.5930  0.2935 -5.3768 3  966.8861133  72503 303664026      663927        s-trans-Propenoic acid
  540991.5930  0.2935 -5.3768 3  966.8861133  72503 303664027      663928        s-trans-Propenoic acid
  541188.8166  0.0444 -4.1851 3  770.2348139  72503 303692247      682246        s-trans-Propenoic acid
  541324.3838  0.2868 -5.3562 3  950.1839131  72503 303654025      653926        s-trans-Propenoic acid
  541324.3838  0.2868 -5.3562 3  950.1839131  72503 303654026      653927        s-trans-Propenoic acid
  541394.9176  0.0840 -4.3184 3  828.6846141  72503 303702645      692644        s-trans-Propenoic acid
  541394.9806  0.0840 -4.3184 3  828.6846141  72503 303702644      692643        s-trans-Propenoic acid
  541405.4421  0.1961 -4.6611 3  969.0645143  72503 303713536      703535        s-trans-Propenoic acid
  541405.4421  0.1961 -4.6611 3  969.0645143  72503 303713537      703536        s-trans-Propenoic acid
  541417.9458  0.0395 -4.8783 3  759.6024143  72503 303711556      701655        s-trans-Propenoic acid
  541504.6229  0.0202 -4.0944 3  300.8229 73  72503 303362016      351917        s-trans-Propenoic acid
  541504.6229  0.0202 -4.0944 3  300.8229 73  72503 303362017      351916        s-trans-Propenoic acid
  541586.0572  0.0358 -4.0635 3  711.5055135  72503 303671948      661947        s-trans-Propenoic acid
  541643.5941  0.2807 -5.3367 3  933.7394129  72503 303644024      643925        s-trans-Propenoic acid
  541643.5941  0.2807 -5.3367 3  933.7394129  72503 303644025      643926        s-trans-Propenoic acid
  541677.5232  0.0411 -4.1344 3  759.6024143  72503 303711656      701655        s-trans-Propenoic acid
  541855.2393  0.0420 -4.1340 3  759.5878143  72503 303711556      701555        s-trans-Propenoic acid
  541949.6500  0.2753 -5.3184 3  917.5524127  72503 303634023      633924        s-trans-Propenoic acid
  541949.6500  0.2753 -5.3184 3  917.5524127  72503 303634024      633925        s-trans-Propenoic acid
  541993.1029  0.1827 -4.6199 3  953.4667143  72503 303713437      703436        s-trans-Propenoic acid
  541993.1029  0.1827 -4.6199 3  953.4667143  72503 303713438      703437        s-trans-Propenoic acid
  542039.4856  0.0852 -4.9238 3  696.1568135  72503 303671751      661650        s-trans-Propenoic acid
  542114.8167  0.0438 -4.8772 3  759.5878143  72503 303711656      701555        s-trans-Propenoic acid
  542132.2995  0.0114 -4.2506 3  336.3334 85  72503 303421726      411625        s-trans-Propenoic acid
  542137.7802  0.0114 -4.2506 3  336.3332 85  72503 303421725      411626        s-trans-Propenoic acid
  542171.8288  0.0328 -4.1112 3  736.0663137  72503 303682048      672047        s-trans-Propenoic acid
  542227.5266  0.0164 -4.1379 3  311.0100 77  72503 303381920      371819        s-trans-Propenoic acid
  542227.5271  0.0164 -4.1379 3  311.0100 77  72503 303381919      371820        s-trans-Propenoic acid
  542242.9672  0.2706 -5.3013 3  901.6228125  72503 303624022      623923        s-trans-Propenoic acid
  542242.9672  0.2706 -5.3013 3  901.6228125  72503 303624023      623924        s-trans-Propenoic acid
  542515.7573  0.5058 -5.7375 3  984.7024161  72503 303802159      792258        s-trans-Propenoic acid
  542523.9508  0.2664 -5.2856 3  885.9502123  72503 303614021      613922        s-trans-Propenoic acid
  542523.9508  0.2664 -5.2856 3  885.9502123  72503 303614022      613923        s-trans-Propenoic acid
  542543.0248  0.0134 -4.1889 3  322.8239 81  72503 303401823      391722        s-trans-Propenoic acid
  542543.0921  0.0134 -4.1889 3  322.8239 81  72503 303401822      391723        s-trans-Propenoic acid
  542557.9288  0.0059 -5.0521 3  234.5759 73  72503 303361027      35 728        s-trans-Propenoic acid
  542608.4218  0.0751 -4.9265 3  713.8552137  72503 303681752      671651        s-trans-Propenoic acid
  542633.5342  0.1697 -4.5800 3  938.3573143  72503 303713338      703337        s-trans-Propenoic acid
  542633.5342  0.1697 -4.5800 3  938.3573143  72503 303713339      703338        s-trans-Propenoic acid
  542677.7998  0.5432 -5.7330 3 1373.2519145  72503 303725418      715417        s-trans-Propenoic acid
  542677.7998  0.5432 -5.7330 3 1373.2519145  72503 303725419      715418        s-trans-Propenoic acid
  542792.9958  0.2627 -5.2712 3  870.5346121  72503 303604020      603921        s-trans-Propenoic acid
  542792.9958  0.2627 -5.2712 3  870.5346121  72503 303604021      603922        s-trans-Propenoic acid
  542903.6295  0.5220 -5.6616 3 1348.7318145  72503 303725319      715318        s-trans-Propenoic acid
  542903.6295  0.5220 -5.6616 3 1348.7318145  72503 303725320      715319        s-trans-Propenoic acid
  542945.2297  0.0740 -4.2878 3  817.6824141  72503 303702546      692545        s-trans-Propenoic acid
  542945.9128  0.0740 -4.2878 3  817.6825141  72503 303702545      692544        s-trans-Propenoic acid
  543050.4877  0.2595 -5.2582 3  855.3757119  72503 303594019      593920        s-trans-Propenoic acid
  543050.4877  0.2595 -5.2582 3  855.3757119  72503 303594020      593921        s-trans-Propenoic acid
  543136.2833  0.5011 -5.5923 3 1324.6737145  72503 303725220      715219        s-trans-Propenoic acid
  543136.2833  0.5011 -5.5923 3 1324.6737145  72503 303725221      715220        s-trans-Propenoic acid
  543296.8025  0.2568 -5.2468 3  840.4732117  72503 303584018      583919        s-trans-Propenoic acid
  543296.8025  0.2568 -5.2468 3  840.4732117  72503 303584019      583920        s-trans-Propenoic acid
  543310.3495  0.0384 -4.1187 3  749.8762141  72503 303701754      691753        s-trans-Propenoic acid
  543335.0401  0.1570 -4.5414 3  923.7405143  72503 303713239      703238        s-trans-Propenoic acid
  543335.0401  0.1570 -4.5414 3  923.7405143  72503 303713240      703239        s-trans-Propenoic acid
  543341.0252  0.0506 -3.9458 3  279.6618 55  72503 3032725 2      2624 3        s-trans-Propenoic acid
  543341.0252  0.0506 -3.9458 3  279.6618 55  72503 3032725 3      2624 2        s-trans-Propenoic acid
  543376.4436  0.4807 -5.5251 3 1301.0780145  72503 303725121      715120        s-trans-Propenoic acid
  543376.4436  0.4807 -5.5251 3 1301.0780145  72503 303725122      715121        s-trans-Propenoic acid
  543445.3653  0.0965 -4.9217 3  678.6011133  72503 303661750      651649        s-trans-Propenoic acid
  543473.9542  0.0061 -5.5864 3  189.3582 59  72503 303291316      281117        s-trans-Propenoic acid
  543532.3072  0.2545 -5.2370 3  825.8270115  72503 303574017      573918        s-trans-Propenoic acid
  543532.3072  0.2545 -5.2370 3  825.8270115  72503 303574018      573919        s-trans-Propenoic acid
  543550.8805  0.0061 -5.5863 3  189.3556 59  72503 303291317      281118        s-trans-Propenoic acid
  543614.3535  0.0319 -4.1035 3  739.3160139  72503 303691852      681851        s-trans-Propenoic acid
  543624.8649  0.4606 -5.4599 3 1277.9453145  72503 303725022      715021        s-trans-Propenoic acid
  543624.8649  0.4606 -5.4599 3 1277.9453145  72503 303725023      715022        s-trans-Propenoic acid
  543757.3599  0.2525 -5.2291 3  811.4369113  72503 303564016      563917        s-trans-Propenoic acid
  543757.3599  0.2525 -5.2291 3  811.4369113  72503 303564017      563918        s-trans-Propenoic acid
  543863.2904  0.0373 -4.1586 3  761.6477139  72503 303692149      682148        s-trans-Propenoic acid
  543882.3836  0.4410 -5.3965 3 1255.2764145  72503 303724923      714922        s-trans-Propenoic acid
  543882.3836  0.4410 -5.3965 3 1255.2764145  72503 303724924      714923        s-trans-Propenoic acid
  543972.3102  0.2509 -5.2231 3  797.3028111  72503 303554015      553916        s-trans-Propenoic acid
  543972.3102  0.2509 -5.2231 3  797.3028111  72503 303554016      553917        s-trans-Propenoic acid
  544009.8571  0.0682 -4.2031 3  840.3434169  72503 30384 381      83 380        s-trans-Propenoic acid
  544009.8571  0.0682 -4.6209 3  840.3434169  72503 30384 381      83 480        s-trans-Propenoic acid
  544009.8571  0.0682 -4.6209 3  840.3434169  72503 30384 481      83 380        s-trans-Propenoic acid
  544009.8571  0.0682 -4.2031 3  840.3434169  72503 30384 481      83 480        s-trans-Propenoic acid
  544011.0039  0.0619 -4.2061 3  838.2671167  72503 30383 479      82 478        s-trans-Propenoic acid
  544011.0039  0.0619 -4.6372 3  838.2671167  72503 30383 479      82 578        s-trans-Propenoic acid
  544011.0039  0.0619 -4.6372 3  838.2671167  72503 30383 579      82 478        s-trans-Propenoic acid
  544011.0039  0.0619 -4.2061 3  838.2671167  72503 30383 579      82 578        s-trans-Propenoic acid
  544013.4347  0.0774 -4.1991 3  841.8967171  72503 30385 283      84 282        s-trans-Propenoic acid
  544013.4347  0.0774 -4.6046 3  841.8967171  72503 30385 283      84 382        s-trans-Propenoic acid
  544013.4347  0.0774 -4.6046 3  841.8967171  72503 30385 383      84 282        s-trans-Propenoic acid
  544013.4347  0.0774 -4.1991 3  841.8967171  72503 30385 383      84 382        s-trans-Propenoic acid
  544018.7361  0.0901 -4.1941 3  842.9320173  72503 30386 185      85 184        s-trans-Propenoic acid
  544018.7361  0.0901 -4.5881 3  842.9320173  72503 30386 185      85 284        s-trans-Propenoic acid
  544018.7361  0.0901 -4.5881 3  842.9320173  72503 30386 285      85 184        s-trans-Propenoic acid
  544018.7361  0.0901 -4.1941 3  842.9320173  72503 30386 285      85 284        s-trans-Propenoic acid
  544020.7212  0.0579 -4.2079 3  835.6618165  72503 30382 577      81 576        s-trans-Propenoic acid
  544020.7212  0.0579 -4.6535 3  835.6618165  72503 30382 577      81 676        s-trans-Propenoic acid
  544020.7212  0.0579 -4.6535 3  835.6618165  72503 30382 677      81 576        s-trans-Propenoic acid
  544020.7212  0.0579 -4.2079 3  835.6618165  72503 30382 677      81 676        s-trans-Propenoic acid
  544023.3945  0.1070 -4.1881 3  843.4537175  72503 30387 087      86 086        s-trans-Propenoic acid
  544023.3945  0.1070 -4.5714 3  843.4537175  72503 30387 087      86 186        s-trans-Propenoic acid
  544023.3945  0.1070 -4.5714 3  843.4537175  72503 30387 187      86 086        s-trans-Propenoic acid
  544023.3945  0.1070 -4.1881 3  843.4537175  72503 30387 187      86 186        s-trans-Propenoic acid
  544043.9989  0.0554 -4.2088 3  832.5204163  72503 30381 675      80 674        s-trans-Propenoic acid
  544043.9989  0.0554 -4.6700 3  832.5204163  72503 30381 675      80 774        s-trans-Propenoic acid
  544043.9989  0.0554 -4.6700 3  832.5204163  72503 30381 775      80 674        s-trans-Propenoic acid
  544043.9989  0.0554 -4.2088 3  832.5204163  72503 30381 775      80 774        s-trans-Propenoic acid
  544087.4011  0.0539 -4.2085 3  828.8343161  72503 30380 773      79 772        s-trans-Propenoic acid
  544087.4011  0.0539 -4.6869 3  828.8343161  72503 30380 773      79 872        s-trans-Propenoic acid
  544087.4011  0.0539 -4.6869 3  828.8343161  72503 30380 873      79 772        s-trans-Propenoic acid
  544087.4011  0.0539 -4.2085 3  828.8343161  72503 30380 873      79 872        s-trans-Propenoic acid
  544107.7778  0.1447 -4.5040 3  909.6211143  72503 303713140      703139        s-trans-Propenoic acid
  544107.7778  0.1447 -4.5040 3  909.6211143  72503 303713141      703140        s-trans-Propenoic acid
  544149.9291  0.4217 -5.3350 3 1233.0717145  72503 303724824      714823        s-trans-Propenoic acid
  544149.9291  0.4217 -5.3350 3 1233.0717145  72503 303724825      714824        s-trans-Propenoic acid
  544159.7055  0.0528 -4.2070 3  824.5930159  72503 30379 871      78 870        s-trans-Propenoic acid
  544159.7055  0.0528 -4.7043 3  824.5930159  72503 30379 871      78 970        s-trans-Propenoic acid
  544159.7055  0.0528 -4.7043 3  824.5930159  72503 30379 971      78 870        s-trans-Propenoic acid
  544159.7055  0.0528 -4.2070 3  824.5930159  72503 30379 971      78 970        s-trans-Propenoic acid
  544177.4994  0.2496 -5.2193 3  783.4244109  72503 303544014      543915        s-trans-Propenoic acid
  544177.4994  0.2496 -5.2193 3  783.4244109  72503 303544015      543916        s-trans-Propenoic acid
  544272.8814  0.0519 -4.2044 3  819.7837157  72503 30378 969      77 968        s-trans-Propenoic acid
  544272.8814  0.0519 -4.7226 3  819.7837157  72503 30378 969      771068        s-trans-Propenoic acid
  544272.8814  0.0519 -4.7226 3  819.7837157  72503 303781069      77 968        s-trans-Propenoic acid
  544272.8814  0.0519 -4.2044 3  819.7837157  72503 303781069      771068        s-trans-Propenoic acid
  544373.2605  0.2485 -5.2178 3  769.8015107  72503 303534013      533914        s-trans-Propenoic acid
  544373.2605  0.2485 -5.2178 3  769.8015107  72503 303534014      533915        s-trans-Propenoic acid
  544428.5370  0.4028 -5.2752 3 1211.3321145  72503 303724725      714724        s-trans-Propenoic acid
  544428.5370  0.4028 -5.2752 3 1211.3321145  72503 303724726      714725        s-trans-Propenoic acid
  544443.6460  0.0509 -4.7421 3  814.3907155  72503 303771067      761166        s-trans-Propenoic acid
  544443.6460  0.0509 -4.2004 3  814.3907155  72503 303771167      761166        s-trans-Propenoic acid
  544443.6461  0.0509 -4.2004 3  814.3907155  72503 303771067      761066        s-trans-Propenoic acid
  544443.6461  0.0509 -4.7421 3  814.3907155  72503 303771167      761066        s-trans-Propenoic acid
  544559.9188  0.2477 -5.2190 3  756.4339105  72503 303524012      523913        s-trans-Propenoic acid
  544559.9188  0.2477 -5.2190 3  756.4339105  72503 303524013      523914        s-trans-Propenoic acid
  544577.4894  0.0430 -3.9706 3  282.6884 59  72503 3032924 5      2823 6        s-trans-Propenoic acid
  544577.4894  0.0430 -3.9706 3  282.6884 59  72503 3032924 6      2823 5        s-trans-Propenoic acid
  544696.0598  0.0498 -4.7633 3  808.3936153  72503 303761165      751264        s-trans-Propenoic acid
  544696.0605  0.0498 -4.1951 3  808.3936153  72503 303761265      751264        s-trans-Propenoic acid
  544696.0611  0.0498 -4.1951 3  808.3936153  72503 303761165      751164        s-trans-Propenoic acid
  544696.0618  0.0498 -4.7633 3  808.3936153  72503 303761265      751164        s-trans-Propenoic acid
  544719.3648  0.3842 -5.2170 3 1190.0584145  72503 303724626      714625        s-trans-Propenoic acid
  544719.3648  0.3842 -5.2170 3 1190.0584145  72503 303724627      714626        s-trans-Propenoic acid
  544737.7918  0.2471 -5.2232 3  743.3216103  72503 303514011      513912        s-trans-Propenoic acid
  544737.7918  0.2471 -5.2232 3  743.3216103  72503 303514012      513913        s-trans-Propenoic acid
  544763.8987  0.0672 -4.9304 3  731.7048139  72503 303691753      681652        s-trans-Propenoic acid
  544780.7184  0.0643 -4.2582 3  807.2573141  72503 303702447      692446        s-trans-Propenoic acid
  544787.2500  0.0643 -4.2582 3  807.2575141  72503 303702446      692445        s-trans-Propenoic acid
  544863.4580  0.0105 -4.5881 3  375.6383 95  72503 303471433      461334        s-trans-Propenoic acid
  544907.1896  0.2467 -5.2308 3  730.4643101  72503 303504010      503911        s-trans-Propenoic acid
  544907.1896  0.2467 -5.2308 3  730.4643101  72503 303504011      503912        s-trans-Propenoic acid
  544955.5122  0.0333 -4.0319 3  701.6713135  72503 303671750      661749        s-trans-Propenoic acid
  544964.3489  0.1326 -4.4678 3  896.0050143  72503 303713041      703040        s-trans-Propenoic acid
  544964.3489  0.1326 -4.4678 3  896.0050143  72503 303713042      703041        s-trans-Propenoic acid
  545023.7095  0.3661 -5.1605 3 1169.2514145  72503 303724527      714526        s-trans-Propenoic acid
  545023.7095  0.3661 -5.1605 3 1169.2514145  72503 303724528      714527        s-trans-Propenoic acid
  545066.1046  0.0486 -4.7869 3  801.7662151  72503 303751263      741362        s-trans-Propenoic acid
  545066.1242  0.0486 -4.1883 3  801.7662151  72503 303751363      741362        s-trans-Propenoic acid
  545066.1417  0.0486 -4.1883 3  801.7662151  72503 303751263      741262        s-trans-Propenoic acid
  545066.1613  0.0486 -4.7869 3  801.7662151  72503 303751363      741262        s-trans-Propenoic acid
  545068.4147  0.2464 -5.2424 3  717.8618 99  72503 3034940 9      493910        s-trans-Propenoic acid
  545068.4147  0.2464 -5.2424 3  717.8618 99  72503 303494010      493911        s-trans-Propenoic acid
  545082.5819  0.0450 -4.1155 3  749.7160141  72503 303701654      691653        s-trans-Propenoic acid
  545221.7626  0.2463 -5.2589 3  705.5140 97  72503 3034840 8      4839 9        s-trans-Propenoic acid
  545221.7626  0.2463 -5.2589 3  705.5140 97  72503 3034840 9      483910        s-trans-Propenoic acid
  545245.7526  0.0365 -4.1566 3  761.7169139  72503 303692148      682147        s-trans-Propenoic acid
  545261.6977  0.0085 -5.3190 3  220.2546 69  72503 303341124      33 825        s-trans-Propenoic acid
  545343.0302  0.3483 -5.1056 3 1148.9121145  72503 303724428      714427        s-trans-Propenoic acid
  545343.0302  0.3483 -5.1056 3 1148.9121145  72503 303724429      714428        s-trans-Propenoic acid
  545367.5217  0.2463 -5.2811 3  693.4207 95  72503 3034740 7      4739 8        s-trans-Propenoic acid
  545367.5217  0.2463 -5.2811 3  693.4207 95  72503 3034740 8      4739 9        s-trans-Propenoic acid
  545505.9733  0.2464 -5.3106 3  681.5819 93  72503 3034640 6      4639 7        s-trans-Propenoic acid
  545505.9733  0.2464 -5.3106 3  681.5819 93  72503 3034640 7      4639 8        s-trans-Propenoic acid
  545569.0948  0.0368 -5.0649 3  775.8005143  72503 303711754      701853        s-trans-Propenoic acid
  545609.9697  0.0473 -4.8142 3  794.4733149  72503 303741361      731460        s-trans-Propenoic acid
  545610.4490  0.0473 -4.1798 3  794.4733149  72503 303741461      731460        s-trans-Propenoic acid
  545610.8499  0.0473 -4.1798 3  794.4733149  72503 303741361      731360        s-trans-Propenoic acid
  545611.3292  0.0473 -4.8142 3  794.4733149  72503 303741461      731360        s-trans-Propenoic acid
  545637.3922  0.2466 -5.3494 3  669.9972 91  72503 3034540 5      4539 6        s-trans-Propenoic acid
  545637.3922  0.2466 -5.3494 3  669.9972 91  72503 3034540 6      4539 7        s-trans-Propenoic acid
  545678.9728  0.3310 -5.0522 3 1129.0415145  72503 303724329      714328        s-trans-Propenoic acid
  545678.9728  0.3310 -5.0522 3 1129.0415145  72503 303724330      714329        s-trans-Propenoic acid
  545762.0462  0.2469 -5.4008 3  658.6666 89  72503 3034440 4      4439 5        s-trans-Propenoic acid
  545762.0462  0.2469 -5.4008 3  658.6666 89  72503 3034440 5      4439 6        s-trans-Propenoic acid
  545787.7005  0.0362 -3.9979 3  287.2189 63  72503 3033123 8      3022 9        s-trans-Propenoic acid
  545787.7005  0.0362 -3.9979 3  287.2189 63  72503 3033123 9      3022 8        s-trans-Propenoic acid
  545880.1967  0.2472 -5.4703 3  647.5899 87  72503 3034340 3      4339 4        s-trans-Propenoic acid
  545880.1967  0.2472 -5.4703 3  647.5899 87  72503 3034340 4      4339 5        s-trans-Propenoic acid
  545920.6540  0.1209 -4.4329 3  882.8993143  72503 303712943      702942        s-trans-Propenoic acid
  545920.6541  0.1209 -4.4329 3  882.8993143  72503 303712942      702941        s-trans-Propenoic acid
  545992.0985  0.2477 -5.5682 3  636.7670 85  72503 3034240 2      4239 3        s-trans-Propenoic acid
  545992.0985  0.2477 -5.5682 3  636.7670 85  72503 3034240 3      4239 4        s-trans-Propenoic acid
  546033.4024  0.3140 -5.0003 3 1109.6408145  72503 303724230      714229        s-trans-Propenoic acid
  546033.4024  0.3140 -5.0003 3 1109.6408145  72503 303724231      714230        s-trans-Propenoic acid
  546051.8499  0.0091 -5.4305 3  211.3536 67  72503 303331123      32 824        s-trans-Propenoic acid
  546098.0001  0.2481 -5.7176 3  626.1977 83  72503 3034140 1      4139 2        s-trans-Propenoic acid
  546098.0001  0.2481 -5.7176 3  626.1977 83  72503 3034140 2      4139 3        s-trans-Propenoic acid
  546211.5418  0.0104 -4.4671 3  380.9957 95  72503 303471532      461433        s-trans-Propenoic acid
  546408.4399  0.2973 -4.9499 3 1090.7113145  72503 303724131      714130        s-trans-Propenoic acid
  546408.4399  0.2973 -4.9499 3 1090.7113145  72503 303724132      714131        s-trans-Propenoic acid
  546412.8892  0.0459 -4.8469 3  786.4654147  72503 303731459      721558        s-trans-Propenoic acid
  546422.4462  0.0460 -4.1693 3  786.4654147  72503 303731559      721558        s-trans-Propenoic acid
  546428.5090  0.0318 -4.1342 3  753.7592139  72503 303692050      682049        s-trans-Propenoic acid
  546429.8370  0.0460 -4.1693 3  786.4648147  72503 303731459      721458        s-trans-Propenoic acid
  546439.3940  0.0461 -4.8468 3  786.4648147  72503 303731559      721458        s-trans-Propenoic acid
  546611.8253  0.0114 -4.3488 3  363.1096 91  72503 303451630      441529        s-trans-Propenoic acid
  546806.5088  0.2811 -4.9009 3 1072.2543145  72503 303724032      714031        s-trans-Propenoic acid
  546806.5088  0.2811 -4.9009 3 1072.2543145  72503 303724033      714032        s-trans-Propenoic acid
  546865.6238  0.0296 -4.1151 3  746.4336139  72503 303691951      681950        s-trans-Propenoic acid
  546946.6066  0.0301 -4.0284 3  293.2660 67  72503 303332211      322112        s-trans-Propenoic acid
  546946.6066  0.0301 -4.0284 3  293.2660 67  72503 303332212      322111        s-trans-Propenoic acid
  546994.2397  0.0549 -4.2296 3  797.4395141  72503 303702348      692347        s-trans-Propenoic acid
  546997.1717  0.1095 -4.3991 3  870.3127143  72503 303712844      702843        s-trans-Propenoic acid
  546997.1726  0.1095 -4.3991 3  870.3127143  72503 303712843      702842        s-trans-Propenoic acid
  547048.5296  0.0548 -4.2295 3  797.4417141  72503 303702347      692346        s-trans-Propenoic acid
  547066.7007  0.0079 -5.2206 3  229.3457 71  72503 303351125      34 826        s-trans-Propenoic acid
  547101.7787  0.1072 -4.9189 3  661.1842131  72503 303651749      641648        s-trans-Propenoic acid
  547102.6457  0.0113 -4.3481 3  363.0960 91  72503 303451629      441530        s-trans-Propenoic acid
  547103.7462  0.0095 -5.1299 3  318.3368 87  72503 303431231      421032        s-trans-Propenoic acid
  547134.1883  0.0060 -5.3615 3  234.1158 71  72503 303351224      341025        s-trans-Propenoic acid
  547152.4877  0.0069 -5.1043 3  229.7968 73  72503 30336 828      35 729        s-trans-Propenoic acid
  547230.3913  0.2652 -4.8533 3 1054.2716145  72503 303723933      713932        s-trans-Propenoic acid
  547230.3913  0.2652 -4.8533 3 1054.2716145  72503 303723934      713933        s-trans-Propenoic acid
  547386.6286  0.0068 -5.4658 3  229.7890 73  72503 30336 828      35 629        s-trans-Propenoic acid
  547402.3563  0.0318 -4.9508 3  767.9991143  72503 303711655      701754        s-trans-Propenoic acid
  547491.1501  0.0435 -4.8887 3  777.6708145  72503 303721557      711656        s-trans-Propenoic acid
  547643.8460  0.0446 -4.1564 3  777.6708145  72503 303721657      711656        s-trans-Propenoic acid
  547683.2988  0.2497 -4.8071 3 1036.7650145  72503 303723834      713833        s-trans-Propenoic acid
  547683.2988  0.2497 -4.8071 3 1036.7650145  72503 303723835      713834        s-trans-Propenoic acid
  547750.7275  0.0452 -4.1562 3  777.6622145  72503 303721557      711556        s-trans-Propenoic acid
  547903.4234  0.0463 -4.8880 3  777.6622145  72503 303721657      711556        s-trans-Propenoic acid
  548013.6509  0.0247 -4.0628 3  300.8469 71  72503 303352114      342015        s-trans-Propenoic acid
  548013.6509  0.0247 -4.0628 3  300.8469 71  72503 303352115      342014        s-trans-Propenoic acid
  548112.6946  0.0618 -4.9357 3  749.7160141  72503 303701754      691653        s-trans-Propenoic acid
  548160.6035  0.0724 -4.7864 3  525.0989115  72503 303571642      561541        s-trans-Propenoic acid
  548168.9603  0.2346 -4.7623 3 1019.7365145  72503 303723735      713734        s-trans-Propenoic acid
  548168.9603  0.2346 -4.7623 3 1019.7365145  72503 303723736      713735        s-trans-Propenoic acid
  548220.9475  0.0983 -4.3665 3  858.2562143  72503 303712745      702744        s-trans-Propenoic acid
  548220.9584  0.0983 -4.3665 3  858.2562143  72503 303712744      702743        s-trans-Propenoic acid
  548691.7339  0.2198 -4.7188 3 1003.1885145  72503 303723636      713635        s-trans-Propenoic acid
  548691.7339  0.2198 -4.7188 3 1003.1885145  72503 303723637      713636        s-trans-Propenoic acid
  548807.7041  0.0094 -5.5473 3  202.6649 65  72503 303321122      31 823        s-trans-Propenoic acid
  548922.7505  0.0202 -4.1019 3  309.9855 75  72503 303372017      361918        s-trans-Propenoic acid
  548922.7505  0.0202 -4.1019 3  309.9855 75  72503 303372018      361917        s-trans-Propenoic acid
  549099.9200  0.0120 -4.2649 3  347.1725 87  72503 303431727      421626        s-trans-Propenoic acid
  549111.6374  0.0120 -4.2649 3  347.1722 87  72503 303431726      421627        s-trans-Propenoic acid
  549256.7509  0.2054 -4.6766 3  987.1238145  72503 303723537      713536        s-trans-Propenoic acid
  549256.7509  0.2054 -4.6766 3  987.1238145  72503 303723538      713537        s-trans-Propenoic acid
  549287.3854  0.0422 -4.1408 3  767.9991143  72503 303711755      701754        s-trans-Propenoic acid
  549477.0429  0.0061 -5.5493 3  196.8515 61  72503 303301317      291118        s-trans-Propenoic acid
  549535.2210  0.0421 -4.0572 3  719.8491137  72503 303681751      671750        s-trans-Propenoic acid
  549563.7882  0.0165 -4.1470 3  320.7154 79  72503 303391921      381820        s-trans-Propenoic acid
  549563.7895  0.0165 -4.1470 3  320.7154 79  72503 303391920      381821        s-trans-Propenoic acid
  549628.0613  0.0585 -3.9260 3  284.4275 53  72503 3032626 0      2525 1        s-trans-Propenoic acid
  549628.0613  0.0585 -3.9260 3  284.4275 53  72503 3032626 1      2525 0        s-trans-Propenoic acid
  549628.8230  0.0875 -4.3351 3  846.7436143  72503 303712646      702645        s-trans-Propenoic acid
  549628.9502  0.0875 -4.3351 3  846.7436143  72503 303712645      702644        s-trans-Propenoic acid
  549638.9793  0.0061 -5.5491 3  196.8460 61  72503 303301318      291119        s-trans-Propenoic acid
  549666.3807  0.0461 -4.2018 3  788.2695141  72503 303702249      692248        s-trans-Propenoic acid
  549670.3401  0.2179 -5.3790 3  867.1936151  72503 303751956      742055        s-trans-Propenoic acid
  549675.2923  0.4817 -5.7565 3 1225.4322159  72503 303794138      794039        s-trans-Propenoic acid
  549675.2923  0.4817 -5.7565 3 1225.4322159  72503 303794139      794040        s-trans-Propenoic acid
  549744.9981  0.0137 -4.2002 3  333.0858 83  72503 303411824      401723        s-trans-Propenoic acid
  549745.1604  0.0137 -4.2002 3  333.0858 83  72503 303411823      401724        s-trans-Propenoic acid
  549870.1037  0.1913 -4.6357 3  971.5456145  72503 303723438      713437        s-trans-Propenoic acid
  549870.1037  0.1913 -4.6357 3  971.5456145  72503 303723439      713438        s-trans-Propenoic acid
  550049.4670  0.0456 -4.2013 3  788.2869141  72503 303702248      692247        s-trans-Propenoic acid
  550121.5224  0.0264 -4.0327 3  706.2241135  72503 303671849      661848        s-trans-Propenoic acid
  550164.3107  0.0361 -4.1246 3  757.4490141  72503 303701853      691852        s-trans-Propenoic acid
  550193.3095  0.4625 -5.7243 3 1205.3755157  72503 303784137      784038        s-trans-Propenoic acid
  550193.3095  0.4625 -5.7243 3 1205.3755157  72503 303784138      784039        s-trans-Propenoic acid
  550204.1036  0.0731 -4.2261 3  858.4896171  72503 30385 382      84 381        s-trans-Propenoic acid
  550204.1036  0.0731 -4.6434 3  858.4896171  72503 30385 382      84 481        s-trans-Propenoic acid
  550204.1036  0.0731 -4.6434 3  858.4896171  72503 30385 482      84 381        s-trans-Propenoic acid
  550204.1036  0.0731 -4.2261 3  858.4896171  72503 30385 482      84 481        s-trans-Propenoic acid
  550204.7247  0.0664 -4.2289 3  856.4134169  72503 30384 480      83 479        s-trans-Propenoic acid
  550204.7247  0.0664 -4.6593 3  856.4134169  72503 30384 480      83 579        s-trans-Propenoic acid
  550204.7247  0.0664 -4.6593 3  856.4134169  72503 30384 580      83 479        s-trans-Propenoic acid
  550204.7247  0.0664 -4.2289 3  856.4134169  72503 30384 580      83 579        s-trans-Propenoic acid
  550207.9586  0.0830 -4.2222 3  860.0430173  72503 30386 284      85 283        s-trans-Propenoic acid
  550207.9586  0.0830 -4.6273 3  860.0430173  72503 30386 284      85 383        s-trans-Propenoic acid
  550207.9586  0.0830 -4.6273 3  860.0430173  72503 30386 384      85 283        s-trans-Propenoic acid
  550207.9586  0.0830 -4.2222 3  860.0430173  72503 30386 384      85 383        s-trans-Propenoic acid
  550213.3757  0.0965 -4.2172 3  861.0786175  72503 30387 186      86 185        s-trans-Propenoic acid
  550213.3757  0.0965 -4.6110 3  861.0786175  72503 30387 186      86 285        s-trans-Propenoic acid
  550213.3757  0.0965 -4.6110 3  861.0786175  72503 30387 286      86 185        s-trans-Propenoic acid
  550213.3757  0.0965 -4.2172 3  861.0786175  72503 30387 286      86 285        s-trans-Propenoic acid
  550213.5428  0.0621 -4.2307 3  853.8084167  72503 30383 578      82 577        s-trans-Propenoic acid
  550213.5428  0.0621 -4.6753 3  853.8084167  72503 30383 578      82 677        s-trans-Propenoic acid
  550213.5428  0.0621 -4.6753 3  853.8084167  72503 30383 678      82 577        s-trans-Propenoic acid
  550213.5428  0.0621 -4.2307 3  853.8084167  72503 30383 678      82 677        s-trans-Propenoic acid
  550218.0488  0.1142 -4.2113 3  861.6004177  72503 30388 088      87 087        s-trans-Propenoic acid
  550218.0488  0.1142 -4.5945 3  861.6004177  72503 30388 088      87 187        s-trans-Propenoic acid
  550218.0488  0.1142 -4.5945 3  861.6004177  72503 30388 188      87 087        s-trans-Propenoic acid
  550218.0488  0.1142 -4.2113 3  861.6004177  72503 30388 188      87 187        s-trans-Propenoic acid
  550235.3657  0.0594 -4.2315 3  850.6678165  72503 30382 676      81 675        s-trans-Propenoic acid
  550235.3657  0.0594 -4.6915 3  850.6678165  72503 30382 676      81 775        s-trans-Propenoic acid
  550235.3657  0.0594 -4.6915 3  850.6678165  72503 30382 776      81 675        s-trans-Propenoic acid
  550235.3657  0.0594 -4.2315 3  850.6678165  72503 30382 776      81 775        s-trans-Propenoic acid
  550276.4910  0.0577 -4.2311 3  846.9831163  72503 30381 774      80 773        s-trans-Propenoic acid
  550276.4910  0.0577 -4.7079 3  846.9831163  72503 30381 774      80 873        s-trans-Propenoic acid
  550276.4910  0.0577 -4.7079 3  846.9831163  72503 30381 874      80 773        s-trans-Propenoic acid
  550276.4910  0.0577 -4.2311 3  846.9831163  72503 30381 874      80 873        s-trans-Propenoic acid
  550289.5855  0.5694 -5.7379 3 1391.3537147  72503 303735419      725418        s-trans-Propenoic acid
  550289.5855  0.5694 -5.7379 3 1391.3537147  72503 303735420      725419        s-trans-Propenoic acid
  550345.2990  0.0565 -4.2296 3  842.7442161  72503 30380 872      79 871        s-trans-Propenoic acid
  550345.2990  0.0565 -4.7249 3  842.7442161  72503 30380 872      79 971        s-trans-Propenoic acid
  550345.2990  0.0565 -4.7249 3  842.7442161  72503 30380 972      79 871        s-trans-Propenoic acid
  550345.2990  0.0565 -4.2296 3  842.7442161  72503 30380 972      79 971        s-trans-Propenoic acid
  550398.9427  0.0060 -5.3222 3  248.3552 75  72503 303371127      36 928        s-trans-Propenoic acid
  550432.4691  0.0471 -4.1388 3  767.8980143  72503 303711655      701654        s-trans-Propenoic acid
  550453.1535  0.0556 -4.2268 3  837.9387159  72503 30379 970      78 969        s-trans-Propenoic acid
  550453.1535  0.0556 -4.7427 3  837.9387159  72503 30379 970      781069        s-trans-Propenoic acid
  550453.1535  0.0556 -4.7427 3  837.9387159  72503 303791070      78 969        s-trans-Propenoic acid
  550453.1535  0.0556 -4.2268 3  837.9387159  72503 303791070      781069        s-trans-Propenoic acid
  550522.6564  0.5472 -5.6677 3 1366.8412147  72503 303735320      725319        s-trans-Propenoic acid
  550522.6564  0.5472 -5.6677 3 1366.8412147  72503 303735321      725320        s-trans-Propenoic acid
  550539.0941  0.1776 -4.5960 3  956.4576145  72503 303723339      713338        s-trans-Propenoic acid
  550539.0941  0.1776 -4.5960 3  956.4576145  72503 303723340      713339        s-trans-Propenoic acid
  550615.8227  0.0546 -4.2228 3  832.5514157  72503 303781068      771067        s-trans-Propenoic acid
  550615.8227  0.0546 -4.7615 3  832.5514157  72503 303781068      771167        s-trans-Propenoic acid
  550615.8227  0.0546 -4.7615 3  832.5514157  72503 303781168      771067        s-trans-Propenoic acid
  550615.8227  0.0546 -4.2228 3  832.5514157  72503 303781168      771167        s-trans-Propenoic acid
  550692.6150  0.4444 -5.6928 3 1185.5791155  72503 303774136      774037        s-trans-Propenoic acid
  550692.6150  0.4444 -5.6928 3 1185.5791155  72503 303774137      774038        s-trans-Propenoic acid
  550762.8940  0.5253 -5.5995 3 1342.7908147  72503 303735221      725220        s-trans-Propenoic acid
  550762.8940  0.5253 -5.5995 3 1342.7908147  72503 303735222      725221        s-trans-Propenoic acid
  550855.8213  0.0535 -4.7820 3  826.5627155  72503 303771166      761265        s-trans-Propenoic acid
  550855.8217  0.0535 -4.2175 3  826.5627155  72503 303771266      761265        s-trans-Propenoic acid
  550855.8220  0.0535 -4.2175 3  826.5627155  72503 303771166      761165        s-trans-Propenoic acid
  550855.8223  0.0535 -4.7820 3  826.5627155  72503 303771266      761165        s-trans-Propenoic acid
  550873.0689  0.0502 -3.9492 3  286.4710 57  72503 3032825 3      2724 4        s-trans-Propenoic acid
  550873.0689  0.0502 -3.9492 3  286.4710 57  72503 3032825 4      2724 3        s-trans-Propenoic acid
  551011.0112  0.5039 -5.5333 3 1319.2031147  72503 303735122      725121        s-trans-Propenoic acid
  551011.0112  0.5039 -5.5333 3 1319.2031147  72503 303735123      725122        s-trans-Propenoic acid
  551173.7597  0.4275 -5.6622 3 1166.0429153  72503 303764135      764036        s-trans-Propenoic acid
  551173.7597  0.4275 -5.6622 3 1166.0429153  72503 303764136      764037        s-trans-Propenoic acid
  551206.4923  0.0523 -4.8047 3  819.9477153  72503 303761264      751363        s-trans-Propenoic acid
  551206.5026  0.0523 -4.2106 3  819.9477153  72503 303761364      751363        s-trans-Propenoic acid
  551206.5119  0.0523 -4.2106 3  819.9477153  72503 303761264      751263        s-trans-Propenoic acid
  551206.5222  0.0523 -4.8047 3  819.9477153  72503 303761364      751263        s-trans-Propenoic acid
  551267.7971  0.4828 -5.4689 3 1296.0787147  72503 303735023      725022        s-trans-Propenoic acid
  551267.7971  0.4828 -5.4689 3 1296.0787147  72503 303735024      725023        s-trans-Propenoic acid
  551272.5698  0.1643 -4.5577 3  941.8642145  72503 303723240      713239        s-trans-Propenoic acid
  551272.5698  0.1643 -4.5577 3  941.8642145  72503 303723241      713240        s-trans-Propenoic acid
  551272.7726  0.0769 -4.3046 3  835.7931143  72503 303712547      702546        s-trans-Propenoic acid
  551274.0946  0.0769 -4.3046 3  835.7932143  72503 303712546      702545        s-trans-Propenoic acid
  551534.1262  0.4622 -5.4064 3 1273.4183147  72503 303734924      724923        s-trans-Propenoic acid
  551534.1262  0.4622 -5.4064 3 1273.4183147  72503 303734925      724924        s-trans-Propenoic acid
  551637.2784  0.4116 -5.6324 3 1146.7665151  72503 303754134      754035        s-trans-Propenoic acid
  551637.2784  0.4116 -5.6324 3 1146.7665151  72503 303754135      754036        s-trans-Propenoic acid
  551641.4616  0.0056 -5.6363 3  176.3850 65  72503 30332 428      31 329        s-trans-Propenoic acid
  551649.1252  0.0056 -5.6363 3  176.3850 65  72503 30332 528      31 229        s-trans-Propenoic acid
  551719.4161  0.0510 -4.8307 3  812.6729151  72503 303751362      741461        s-trans-Propenoic acid
  551719.6757  0.0510 -4.2022 3  812.6729151  72503 303751462      741461        s-trans-Propenoic acid
  551719.8954  0.0510 -4.2022 3  812.6729151  72503 303751362      741361        s-trans-Propenoic acid
  551720.1550  0.0510 -4.8307 3  812.6729151  72503 303751462      741361        s-trans-Propenoic acid
  551810.9711  0.4419 -5.3456 3 1251.2226147  72503 303734825      724824        s-trans-Propenoic acid
  551810.9711  0.4419 -5.3456 3 1251.2226147  72503 303734826      724825        s-trans-Propenoic acid
  551832.6371  0.0072 -5.1408 3  238.6121 73  72503 303361126      35 827        s-trans-Propenoic acid
  552081.3880  0.1512 -4.5205 3  927.7706145  72503 303723141      713140        s-trans-Propenoic acid
  552081.3880  0.1512 -4.5205 3  927.7706145  72503 303723142      713141        s-trans-Propenoic acid
  552083.6906  0.3969 -5.6035 3 1127.7497149  72503 303744133      744034        s-trans-Propenoic acid
  552083.6906  0.3969 -5.6035 3 1127.7497149  72503 303744134      744035        s-trans-Propenoic acid
  552099.4155  0.4221 -5.2864 3 1229.4923147  72503 303734726      724725        s-trans-Propenoic acid
  552099.4155  0.4221 -5.2864 3 1229.4923147  72503 303734727      724726        s-trans-Propenoic acid
  552103.2434  0.0427 -3.9746 3  290.0114 61  72503 3033024 6      2923 7        s-trans-Propenoic acid
  552103.2434  0.0427 -3.9746 3  290.0114 61  72503 3033024 7      2923 6        s-trans-Propenoic acid
  552196.2983  0.0175 -4.8266 3  330.1813 89  72503 303441232      431133        s-trans-Propenoic acid
  552317.4982  0.0587 -4.9426 3  767.8980143  72503 303711755      701654        s-trans-Propenoic acid
  552334.0664  0.1025 -5.2053 3  820.8700147  72503 303731855      721954        s-trans-Propenoic acid
  552400.6713  0.4027 -5.2289 3 1208.2283147  72503 303734627      724626        s-trans-Propenoic acid
  552400.6713  0.4027 -5.2289 3 1208.2283147  72503 303734628      724627        s-trans-Propenoic acid
  552474.7599  0.0496 -4.8616 3  804.6921149  72503 303741460      731559        s-trans-Propenoic acid
  552480.1147  0.0496 -4.1917 3  804.6921149  72503 303741560      731559        s-trans-Propenoic acid
  552484.3169  0.0496 -4.1917 3  804.6918149  72503 303741460      731459        s-trans-Propenoic acid
  552489.6717  0.0497 -4.8616 3  804.6918149  72503 303741560      731459        s-trans-Propenoic acid
  552513.5016  0.3831 -5.5754 3 1108.9922147  72503 303734132      734033        s-trans-Propenoic acid
  552513.5016  0.3831 -5.5754 3 1108.9922147  72503 303734133      734034        s-trans-Propenoic acid
  552626.5531  0.0387 -4.1753 3  779.7890141  72503 303702150      692149        s-trans-Propenoic acid
  552716.0974  0.3836 -5.1730 3 1187.4315147  72503 303734528      724527        s-trans-Propenoic acid
  552716.0974  0.3836 -5.1730 3 1187.4315147  72503 303734529      724528        s-trans-Propenoic acid
  552746.0498  0.0372 -4.1247 3  754.1512139  72503 303692049      682048        s-trans-Propenoic acid
  552748.9869  0.0094 -5.6619 3  194.2147 63  72503 303311121      30 822        s-trans-Propenoic acid
  552773.7457  0.0388 -4.0755 3  729.5709137  72503 303681949      671948        s-trans-Propenoic acid
  552779.1796  0.0126 -4.3699 3  374.8506 93  72503 303461631      451530        s-trans-Propenoic acid
  552927.2025  0.3704 -5.5483 3 1090.4938145  72503 303724131      724032        s-trans-Propenoic acid
  552927.2025  0.3704 -5.5483 3 1090.4938145  72503 303724132      724033        s-trans-Propenoic acid
  552979.0716  0.1386 -4.4846 3  914.1831145  72503 303723042      713041        s-trans-Propenoic acid
  552979.0716  0.1386 -4.4846 3  914.1831145  72503 303723043      713042        s-trans-Propenoic acid
  552987.9210  0.0171 -4.7270 3  358.4322 93  72503 303461333      451234        s-trans-Propenoic acid
  553047.2226  0.3650 -5.1186 3 1167.1028147  72503 303734429      724428        s-trans-Propenoic acid
  553047.2226  0.3650 -5.1186 3 1167.1028147  72503 303734430      724429        s-trans-Propenoic acid
  553047.2270  0.1153 -4.9134 3  643.9118129  72503 303641748      631647        s-trans-Propenoic acid
  553227.5589  0.0666 -4.2752 3  825.4292143  72503 303712448      702447        s-trans-Propenoic acid
  553239.6518  0.0666 -4.2752 3  825.4297143  72503 303712447      702446        s-trans-Propenoic acid
  553291.2256  0.0090 -5.7486 3  173.6956 53  72503 303261412      251213        s-trans-Propenoic acid
  553291.5616  0.0090 -5.7486 3  173.6956 53  72503 303261413      251214        s-trans-Propenoic acid
  553301.1571  0.0359 -4.0027 3  295.0591 65  72503 3033223 9      312210        s-trans-Propenoic acid
  553301.1571  0.0359 -4.0027 3  295.0591 65  72503 303322310      3122 9        s-trans-Propenoic acid
  553325.2714  0.3586 -5.5221 3 1072.2543143  72503 303714130      714031        s-trans-Propenoic acid
  553325.2714  0.3586 -5.5221 3 1072.2543143  72503 303714131      714032        s-trans-Propenoic acid
  553395.7734  0.3468 -5.0657 3 1147.2434147  72503 303734330      724329        s-trans-Propenoic acid
  553395.7734  0.3468 -5.0657 3 1147.2434147  72503 303734331      724330        s-trans-Propenoic acid
  553533.4425  0.0475 -4.9005 3  795.9383147  72503 303731558      721657        s-trans-Propenoic acid
  553622.5115  0.0482 -4.1790 3  795.9383147  72503 303731658      721657        s-trans-Propenoic acid
  553684.2894  0.0494 -4.0836 3  738.1796139  72503 303691752      681751        s-trans-Propenoic acid
  553686.1384  0.0486 -4.1789 3  795.9332147  72503 303731558      721557        s-trans-Propenoic acid
  553691.4064  0.0123 -4.3687 3  374.8255 93  72503 303461630      451531        s-trans-Propenoic acid
  553708.1734  0.3478 -5.4969 3 1054.2734141  72503 303704129      704030        s-trans-Propenoic acid
  553708.1734  0.3478 -5.4969 3 1054.2734141  72503 303704130      704031        s-trans-Propenoic acid
  553763.7067  0.3289 -5.0143 3 1127.8545147  72503 303734231      724230        s-trans-Propenoic acid
  553763.7067  0.3289 -5.0143 3 1127.8545147  72503 303734232      724231        s-trans-Propenoic acid
  553775.2074  0.0493 -4.9001 3  795.9332147  72503 303731658      721557        s-trans-Propenoic acid
  553976.7268  0.0062 -5.3379 3  243.2690 73  72503 303361225      351026        s-trans-Propenoic acid
  553982.7669  0.1262 -4.4499 3  901.1093145  72503 303722944      712943        s-trans-Propenoic acid
  553982.7670  0.1262 -4.4499 3  901.1093145  72503 303722943      712942        s-trans-Propenoic acid
  554073.3585  0.0388 -4.9560 3  786.3214145  72503 303721656      711755        s-trans-Propenoic acid
  554076.3617  0.3379 -5.4726 3 1036.5510139  72503 303694128      694029        s-trans-Propenoic acid
  554076.3617  0.3379 -5.4726 3 1036.5510139  72503 303694129      694030        s-trans-Propenoic acid
  554153.2502  0.3115 -4.9643 3 1108.9375147  72503 303734132      724131        s-trans-Propenoic acid
  554153.2502  0.3115 -4.9643 3 1108.9375147  72503 303734133      724132        s-trans-Propenoic acid
  554402.2820  0.0326 -4.1345 3  764.6751141  72503 303701952      691951        s-trans-Propenoic acid
  554430.2774  0.3289 -5.4494 3 1019.0866137  72503 303684127      684028        s-trans-Propenoic acid
  554430.2774  0.3289 -5.4494 3 1019.0866137  72503 303684128      684029        s-trans-Propenoic acid
  554438.6541  0.0299 -4.0342 3  301.6278 69  72503 303342212      332113        s-trans-Propenoic acid
  554438.6541  0.0299 -4.0342 3  301.6278 69  72503 303342213      332112        s-trans-Propenoic acid
  554566.9512  0.2944 -4.9157 3 1090.4938147  72503 303734033      724032        s-trans-Propenoic acid
  554566.9512  0.2944 -4.9157 3 1090.4938147  72503 303734034      724033        s-trans-Propenoic acid
  554668.1723  0.0111 -4.4990 3  393.3521 97  72503 303481533      471434        s-trans-Propenoic acid
  554669.2074  0.0055 -5.1860 3  216.0741 71  72503 30335 728      34 629        s-trans-Propenoic acid
  554703.0864  0.0055 -5.5601 3  216.0730 71  72503 30335 728      34 529        s-trans-Propenoic acid
  554770.3506  0.3207 -5.4272 3 1001.8803135  72503 303674126      674027        s-trans-Propenoic acid
  554770.3506  0.3207 -5.4272 3 1001.8803135  72503 303674127      674028        s-trans-Propenoic acid
  554800.8612  0.0052 -5.4424 3  189.3460 67  72503 30333 528      32 429        s-trans-Propenoic acid
  554815.0707  0.0380 -4.1721 3  779.9044141  72503 303702149      692148        s-trans-Propenoic acid
  554857.1142  0.0335 -4.1518 3  771.9861141  72503 303702051      692050        s-trans-Propenoic acid
  554864.3562  0.0052 -5.4423 3  189.3460 67  72503 30333 628      32 329        s-trans-Propenoic acid
  555007.7369  0.2777 -4.8685 3 1072.5253147  72503 303733934      723933        s-trans-Propenoic acid
  555007.7369  0.2777 -4.8685 3 1072.5253147  72503 303733935      723934        s-trans-Propenoic acid
  555030.5418  0.0155 -4.9168 3  303.2029 85  72503 303421131      411032        s-trans-Propenoic acid
  555097.0004  0.3133 -5.4061 3  984.9316133  72503 303664125      664026        s-trans-Propenoic acid
  555097.0004  0.3133 -5.4061 3  984.9316133  72503 303664126      664027        s-trans-Propenoic acid
  555114.6892  0.1142 -4.4163 3  888.5586145  72503 303722845      712844        s-trans-Propenoic acid
  555114.6910  0.1142 -4.4163 3  888.5586145  72503 303722844      712843        s-trans-Propenoic acid
  555174.2863  0.0091 -5.0423 3  253.0094 77  72503 30338 929      37 830        s-trans-Propenoic acid
  555211.3946  0.0061 -5.5145 3  204.6222 63  72503 303311318      301119        s-trans-Propenoic acid
  555231.4163  0.0462 -4.1636 3  786.3214145  72503 303721756      711755        s-trans-Propenoic acid
  555410.6356  0.3066 -5.3861 3  968.2405131  72503 303654124      654025        s-trans-Propenoic acid
  555410.6356  0.3066 -5.3861 3  968.2405131  72503 303654125      654026        s-trans-Propenoic acid
  555470.4260  0.0246 -4.0697 3  309.7361 73  72503 303362115      352016        s-trans-Propenoic acid
  555470.4260  0.0246 -4.0697 3  309.7361 73  72503 303362116      352015        s-trans-Propenoic acid
  555478.9903  0.2614 -4.8226 3 1055.0337147  72503 303733835      723834        s-trans-Propenoic acid
  555478.9903  0.2614 -4.8226 3 1055.0337147  72503 303733836      723835        s-trans-Propenoic acid
  555540.0054  0.0061 -5.5141 3  204.6111 63  72503 303311319      301120        s-trans-Propenoic acid
  555562.4469  0.0247 -5.0541 3  794.3639145  72503 303721755      711854        s-trans-Propenoic acid
  555591.0636  0.0567 -4.2467 3  815.6852143  72503 303712349      702348        s-trans-Propenoic acid
  555686.8246  0.0565 -4.2465 3  815.6893143  72503 303712348      702347        s-trans-Propenoic acid
  555711.6546  0.3006 -5.3673 3  951.8067129  72503 303644123      644024        s-trans-Propenoic acid
  555711.6546  0.3006 -5.3673 3  951.8067129  72503 303644124      644025        s-trans-Propenoic acid
  555941.4657  0.0089 -5.3907 3  252.9838 77  72503 30338 929      37 730        s-trans-Propenoic acid
  555958.3876  0.0497 -4.1623 3  786.2585145  72503 303721656      711655        s-trans-Propenoic acid
  555984.6443  0.2455 -4.7781 3 1038.0214147  72503 303733736      723735        s-trans-Propenoic acid
  555984.6443  0.2455 -4.7781 3 1038.0214147  72503 303733737      723736        s-trans-Propenoic acid
  555992.6871  0.0128 -4.2804 3  358.2863 89  72503 303441728      431627        s-trans-Propenoic acid
  556000.4465  0.2953 -5.3498 3  935.6299127  72503 303634122      634023        s-trans-Propenoic acid
  556000.4465  0.2953 -5.3498 3  935.6299127  72503 303634123      634024        s-trans-Propenoic acid
  556017.1281  0.0128 -4.2804 3  358.2856 89  72503 303441727      431628        s-trans-Propenoic acid
  556205.8526  0.0051 -5.2969 3  202.5826 69  72503 30334 628      33 529        s-trans-Propenoic acid
  556209.7803  0.0051 -5.6793 3  202.5824 69  72503 30334 628      33 429        s-trans-Propenoic acid
  556277.3906  0.2906 -5.3335 3  919.7101125  72503 303624121      624022        s-trans-Propenoic acid
  556277.3906  0.2906 -5.3335 3  919.7101125  72503 303624122      624023        s-trans-Propenoic acid
  556322.8018  0.0202 -4.1102 3  319.4099 77  72503 303382018      371919        s-trans-Propenoic acid
  556322.8018  0.0202 -4.1102 3  319.4099 77  72503 303382019      371918        s-trans-Propenoic acid
  556364.9716  0.0057 -5.4578 3  229.7968 73  72503 30336 928      35 729        s-trans-Propenoic acid
  556397.5852  0.0784 -4.2496 3  876.8425173  72503 30386 383      85 382        s-trans-Propenoic acid
  556397.5852  0.0784 -4.6664 3  876.8425173  72503 30386 383      85 482        s-trans-Propenoic acid
  556397.5852  0.0784 -4.6664 3  876.8425173  72503 30386 483      85 382        s-trans-Propenoic acid
  556397.5852  0.0784 -4.2496 3  876.8425173  72503 30386 483      85 482        s-trans-Propenoic acid
  556397.6976  0.0712 -4.2524 3  874.7662171  72503 30385 481      84 480        s-trans-Propenoic acid
  556397.6976  0.0712 -4.6821 3  874.7662171  72503 30385 481      84 580        s-trans-Propenoic acid
  556397.6976  0.0712 -4.6821 3  874.7662171  72503 30385 581      84 480        s-trans-Propenoic acid
  556397.6976  0.0712 -4.2524 3  874.7662171  72503 30385 581      84 580        s-trans-Propenoic acid
  556401.7093  0.0889 -4.2458 3  878.3960175  72503 30387 285      86 284        s-trans-Propenoic acid
  556401.7093  0.0889 -4.6506 3  878.3960175  72503 30387 285      86 384        s-trans-Propenoic acid
  556401.7093  0.0889 -4.6506 3  878.3960175  72503 30387 385      86 284        s-trans-Propenoic acid
  556401.7093  0.0889 -4.2458 3  878.3960175  72503 30387 385      86 384        s-trans-Propenoic acid
  556404.3989  0.1024 -4.3839 3  876.5429145  72503 303722746      712745        s-trans-Propenoic acid
  556404.4215  0.1024 -4.3839 3  876.5429145  72503 303722745      712744        s-trans-Propenoic acid
  556405.6481  0.0665 -4.2541 3  872.1616169  72503 30384 579      83 578        s-trans-Propenoic acid
  556405.6481  0.0665 -4.6978 3  872.1616169  72503 30384 579      83 678        s-trans-Propenoic acid
  556405.6481  0.0665 -4.6978 3  872.1616169  72503 30384 679      83 578        s-trans-Propenoic acid
  556405.6481  0.0665 -4.2541 3  872.1616169  72503 30384 679      83 678        s-trans-Propenoic acid
  556407.2389  0.1032 -4.2410 3  879.4317177  72503 30388 187      87 186        s-trans-Propenoic acid
  556407.2389  0.1032 -4.6346 3  879.4317177  72503 30388 187      87 286        s-trans-Propenoic acid
  556407.2389  0.1032 -4.6346 3  879.4317177  72503 30388 287      87 186        s-trans-Propenoic acid
  556407.2389  0.1032 -4.2410 3  879.4317177  72503 30388 287      87 286        s-trans-Propenoic acid
  556411.9253  0.1219 -4.2351 3  879.9537179  72503 30389 089      88 088        s-trans-Propenoic acid
  556411.9253  0.1219 -4.6183 3  879.9537179  72503 30389 089      88 188        s-trans-Propenoic acid
  556411.9253  0.1219 -4.6183 3  879.9537179  72503 30389 189      88 088        s-trans-Propenoic acid
  556411.9253  0.1219 -4.2351 3  879.9537179  72503 30389 189      88 188        s-trans-Propenoic acid
  556426.0731  0.0635 -4.2548 3  869.0216167  72503 30383 677      82 676        s-trans-Propenoic acid
  556426.0731  0.0635 -4.7136 3  869.0216167  72503 30383 677      82 776        s-trans-Propenoic acid
  556426.0731  0.0635 -4.7136 3  869.0216167  72503 30383 777      82 676        s-trans-Propenoic acid
  556426.0731  0.0635 -4.2548 3  869.0216167  72503 30383 777      82 776        s-trans-Propenoic acid
  556465.0190  0.0617 -4.2543 3  865.3383165  72503 30382 775      81 774        s-trans-Propenoic acid
  556465.0190  0.0617 -4.7297 3  865.3383165  72503 30382 775      81 874        s-trans-Propenoic acid
  556465.0190  0.0617 -4.7297 3  865.3383165  72503 30382 875      81 774        s-trans-Propenoic acid
  556465.0190  0.0617 -4.2543 3  865.3383165  72503 30382 875      81 874        s-trans-Propenoic acid
  556516.0707  0.0407 -4.1466 3  775.8005143  72503 303711854      701853        s-trans-Propenoic acid
  556529.3025  0.2300 -4.7349 3 1021.4909147  72503 303733637      723636        s-trans-Propenoic acid
  556529.3025  0.2300 -4.7349 3 1021.4909147  72503 303733638      723637        s-trans-Propenoic acid
  556530.4946  0.0605 -4.2527 3  861.1017163  72503 30381 873      80 872        s-trans-Propenoic acid
  556530.4946  0.0605 -4.7462 3  861.1017163  72503 30381 873      80 972        s-trans-Propenoic acid
  556530.4946  0.0605 -4.7462 3  861.1017163  72503 30381 973      80 872        s-trans-Propenoic acid
  556530.4946  0.0605 -4.2527 3  861.1017163  72503 30381 973      80 972        s-trans-Propenoic acid
  556542.8574  0.2865 -5.3186 3  904.0469123  72503 303614120      614021        s-trans-Propenoic acid
  556542.8574  0.2865 -5.3186 3  904.0469123  72503 303614121      614022        s-trans-Propenoic acid
  556599.1125  0.0057 -5.0970 3  229.7890 73  72503 30336 928      35 629        s-trans-Propenoic acid
  556622.0485  0.0051 -5.6788 3  202.5826 69  72503 30334 728      33 529        s-trans-Propenoic acid
  556625.9762  0.0051 -5.2964 3  202.5824 69  72503 30334 728      33 429        s-trans-Propenoic acid
  556633.3015  0.0595 -4.2499 3  856.2999161  72503 30380 971      79 970        s-trans-Propenoic acid
  556633.3015  0.0595 -4.7635 3  856.2999161  72503 30380 971      791070        s-trans-Propenoic acid
  556633.3015  0.0595 -4.7635 3  856.2999161  72503 303801071      79 970        s-trans-Propenoic acid
  556633.3015  0.0595 -4.2499 3  856.2999161  72503 303801071      791070        s-trans-Propenoic acid
  556788.3336  0.0585 -4.2459 3  850.9179159  72503 303791069      781068        s-trans-Propenoic acid
  556788.3336  0.0585 -4.7817 3  850.9179159  72503 303791069      781168        s-trans-Propenoic acid
  556788.3336  0.0585 -4.7817 3  850.9179159  72503 303791169      781068        s-trans-Propenoic acid
  556788.3336  0.0585 -4.2459 3  850.9179159  72503 303791169      781168        s-trans-Propenoic acid
  556797.2083  0.2829 -5.3051 3  888.6402121  72503 303604119      604020        s-trans-Propenoic acid
  556797.2083  0.2829 -5.3051 3  888.6402121  72503 303604120      604021        s-trans-Propenoic acid
  556872.7634  0.0167 -4.1571 3  330.6855 81  72503 303401922      391821        s-trans-Propenoic acid
  556872.7668  0.0167 -4.1571 3  330.6855 81  72503 303401921      391822        s-trans-Propenoic acid
  556875.1015  0.0053 -5.5575 3  216.0741 71  72503 30335 828      34 629        s-trans-Propenoic acid
  556904.3380  0.0142 -4.2126 3  343.6165 85  72503 303421825      411724        s-trans-Propenoic acid
  556904.7184  0.0142 -4.2126 3  343.6165 85  72503 303421824      411725        s-trans-Propenoic acid
  556908.9806  0.0053 -5.1835 3  216.0730 71  72503 30335 828      34 529        s-trans-Propenoic acid
  557016.6968  0.0574 -4.8014 3  844.9373157  72503 303781167      771266        s-trans-Propenoic acid
  557016.6970  0.0574 -4.2405 3  844.9373157  72503 303781267      771266        s-trans-Propenoic acid
  557016.6972  0.0574 -4.2405 3  844.9373157  72503 303781167      771166        s-trans-Propenoic acid
  557016.6973  0.0574 -4.8014 3  844.9373157  72503 303781267      771166        s-trans-Propenoic acid
  557033.0925  0.0648 -4.7491 3  509.7665113  72503 303561641      551540        s-trans-Propenoic acid
  557040.7965  0.2798 -5.2932 3  873.4899119  72503 303594118      594019        s-trans-Propenoic acid
  557040.7965  0.2798 -5.2932 3  873.4899119  72503 303594119      594020        s-trans-Propenoic acid
  557116.4454  0.0576 -4.9509 3  786.2585145  72503 303721756      711655        s-trans-Propenoic acid
  557118.3948  0.2149 -4.6930 3 1005.4451147  72503 303733538      723537        s-trans-Propenoic acid
  557118.3948  0.2149 -4.6930 3 1005.4451147  72503 303733539      723538        s-trans-Propenoic acid
  557161.3226  0.0581 -3.9294 3  290.9796 55  72503 3032726 1      2625 2        s-trans-Propenoic acid
  557161.3226  0.0581 -3.9294 3  290.9796 55  72503 3032726 2      2625 1        s-trans-Propenoic acid
  557243.7609  0.0123 -4.9861 3  277.4802 81  72503 303401030      39 931        s-trans-Propenoic acid
  557273.9666  0.2771 -5.2830 3  858.5956117  72503 303584117      584018        s-trans-Propenoic acid
  557273.9666  0.2771 -5.2830 3  858.5956117  72503 303584118      584019        s-trans-Propenoic acid
  557349.3563  0.0562 -4.8233 3  838.3340155  72503 303771265      761364        s-trans-Propenoic acid
  557349.3617  0.0562 -4.2336 3  838.3340155  72503 303771365      761364        s-trans-Propenoic acid
  557349.3666  0.0562 -4.2336 3  838.3340155  72503 303771265      761264        s-trans-Propenoic acid
  557349.3720  0.0562 -4.8233 3  838.3340155  72503 303771365      761264        s-trans-Propenoic acid
  557490.4979  0.0061 -5.3765 3  243.7262 75  72503 303371028      36 829        s-trans-Propenoic acid
  557497.0553  0.2748 -5.2746 3  843.9573115  72503 303574116      574017        s-trans-Propenoic acid
  557497.0553  0.2748 -5.2746 3  843.9573115  72503 303574117      574018        s-trans-Propenoic acid
  557710.3915  0.2729 -5.2681 3  829.5747113  72503 303564115      564016        s-trans-Propenoic acid
  557710.3915  0.2729 -5.2681 3  829.5747113  72503 303564116      564017        s-trans-Propenoic acid
  557749.5513  0.0545 -4.1101 3  756.6485141  72503 303701753      691752        s-trans-Propenoic acid
  557758.3812  0.2001 -4.6524 3  989.8873147  72503 303733439      723438        s-trans-Propenoic acid
  557758.3812  0.2001 -4.6524 3  989.8873147  72503 303733440      723439        s-trans-Propenoic acid
  557833.7314  0.0549 -4.8481 3  831.0763153  72503 303761363      751462        s-trans-Propenoic acid
  557833.8714  0.0549 -4.2251 3  831.0763153  72503 303761463      751462        s-trans-Propenoic acid
  557833.9911  0.0549 -4.2251 3  831.0763153  72503 303761363      751362        s-trans-Propenoic acid
  557834.1310  0.0549 -4.8481 3  831.0763153  72503 303761463      751362        s-trans-Propenoic acid
  557892.5305  0.0910 -4.3526 3  865.0772145  72503 303722647      712646        s-trans-Propenoic acid
  557892.7834  0.0910 -4.3526 3  865.0773145  72503 303722646      712645        s-trans-Propenoic acid
  557904.4695  0.5965 -5.7447 3 1409.7094149  72503 303745420      735419        s-trans-Propenoic acid
  557904.4695  0.5965 -5.7447 3 1409.7094149  72503 303745421      735420        s-trans-Propenoic acid
  557914.2964  0.2713 -5.2638 3  815.4478111  72503 303554114      554015        s-trans-Propenoic acid
  557914.2964  0.2713 -5.2638 3  815.4478111  72503 303554115      554016        s-trans-Propenoic acid
  558109.0838  0.2700 -5.2618 3  801.5762109  72503 303544113      544014        s-trans-Propenoic acid
  558109.0838  0.2700 -5.2618 3  801.5762109  72503 303544114      544015        s-trans-Propenoic acid
  558144.9572  0.5731 -5.6755 3 1385.2046149  72503 303745321      735320        s-trans-Propenoic acid
  558144.9572  0.5731 -5.6755 3 1385.2046149  72503 303745322      735321        s-trans-Propenoic acid
  558295.0603  0.2690 -5.2625 3  787.9598107  72503 303534112      534013        s-trans-Propenoic acid
  558295.0603  0.2690 -5.2625 3  787.9598107  72503 303534113      534014        s-trans-Propenoic acid
  558392.9652  0.5502 -5.6083 3 1361.1622149  72503 303745222      735221        s-trans-Propenoic acid
  558392.9652  0.5502 -5.6083 3 1361.1622149  72503 303745223      735222        s-trans-Propenoic acid
  558402.9036  0.0498 -3.9531 3  293.5348 59  72503 3032925 4      2824 5        s-trans-Propenoic acid
  558402.9036  0.0498 -3.9531 3  293.5348 59  72503 3032925 5      2824 4        s-trans-Propenoic acid
  558413.7937  0.0476 -4.2191 3  806.6044143  72503 303712250      702249        s-trans-Propenoic acid
  558457.0230  0.1857 -4.6130 3  974.8216147  72503 303733340      723339        s-trans-Propenoic acid
  558457.0230  0.1857 -4.6130 3  974.8216147  72503 303733341      723340        s-trans-Propenoic acid
  558472.5252  0.2682 -5.2662 3  774.5985105  72503 303524111      524012        s-trans-Propenoic acid
  558472.5252  0.2682 -5.2662 3  774.5985105  72503 303524112      524013        s-trans-Propenoic acid
  558529.6891  0.0254 -4.0509 3  724.5742137  72503 303681850      671849        s-trans-Propenoic acid
  558544.2140  0.0534 -4.8773 3  823.1208151  72503 303751461      741560        s-trans-Propenoic acid
  558547.1961  0.0534 -4.2148 3  823.1208151  72503 303751561      741560        s-trans-Propenoic acid
  558549.5688  0.0535 -4.2148 3  823.1207151  72503 303751461      741460        s-trans-Propenoic acid
  558552.5509  0.0535 -4.8773 3  823.1207151  72503 303751561      741460        s-trans-Propenoic acid
  558615.0824  0.0140 -4.3933 3  386.8837 95  72503 303471632      461531        s-trans-Propenoic acid
  558641.7713  0.2676 -5.2734 3  761.4921103  72503 303514110      514011        s-trans-Propenoic acid
  558641.7713  0.2676 -5.2734 3  761.4921103  72503 303514111      514012        s-trans-Propenoic acid
  558649.2387  0.5277 -5.5430 3 1337.5828149  72503 303745123      735122        s-trans-Propenoic acid
  558649.2387  0.5277 -5.5430 3 1337.5828149  72503 303745124      735123        s-trans-Propenoic acid
  558802.7856  0.0061 -5.0405 3  243.6824 75  72503 303371028      36 729        s-trans-Propenoic acid
  558803.0842  0.2672 -5.2846 3  748.6404101  72503 3035041 9      504010        s-trans-Propenoic acid
  558803.0842  0.2672 -5.2846 3  748.6404101  72503 303504110      504011        s-trans-Propenoic acid
  558914.6019  0.5057 -5.4794 3 1314.4670149  72503 303745024      735023        s-trans-Propenoic acid
  558914.6019  0.5057 -5.4794 3 1314.4670149  72503 303745025      735024        s-trans-Propenoic acid
  558956.7431  0.2670 -5.3006 3  736.0433 99  72503 3034941 8      4940 9        s-trans-Propenoic acid
  558956.7431  0.2670 -5.3006 3  736.0433 99  72503 3034941 9      494010        s-trans-Propenoic acid
  559052.3217  0.0467 -4.2182 3  806.6346143  72503 303712249      702248        s-trans-Propenoic acid
  559103.0205  0.2669 -5.3223 3  723.7006 97  72503 3034841 7      4840 8        s-trans-Propenoic acid
  559103.0205  0.2669 -5.3223 3  723.7006 97  72503 3034841 8      4840 9        s-trans-Propenoic acid
  559189.9694  0.4840 -5.4176 3 1291.8155149  72503 303744925      734924        s-trans-Propenoic acid
  559189.9694  0.4840 -5.4176 3 1291.8155149  72503 303744926      734925        s-trans-Propenoic acid
  559223.7517  0.1716 -4.5749 3  960.2527147  72503 303733241      723240        s-trans-Propenoic acid
  559223.7517  0.1716 -4.5749 3  960.2527147  72503 303733242      723241        s-trans-Propenoic acid
  559242.1828  0.2669 -5.3513 3  711.6122 95  72503 3034741 6      4740 7        s-trans-Propenoic acid
  559242.1828  0.2669 -5.3513 3  711.6122 95  72503 3034741 7      4740 8        s-trans-Propenoic acid
  559374.4899  0.2670 -5.3897 3  699.7780 93  72503 3034641 5      4640 6        s-trans-Propenoic acid
  559374.4899  0.2670 -5.3897 3  699.7780 93  72503 3034641 6      4640 7        s-trans-Propenoic acid
  559476.3580  0.4628 -5.3575 3 1269.6290149  72503 303744826      734825        s-trans-Propenoic acid
  559476.3580  0.4628 -5.3575 3 1269.6290149  72503 303744827      734826        s-trans-Propenoic acid
  559490.3609  0.0117 -5.3191 3  277.4053 81  72503 303401030      39 831        s-trans-Propenoic acid
  559500.1955  0.2673 -5.4407 3  688.1977 91  72503 3034541 4      4540 5        s-trans-Propenoic acid
  559500.1955  0.2673 -5.4407 3  688.1977 91  72503 3034541 5      4540 6        s-trans-Propenoic acid
  559563.0830  0.0516 -4.9137 3  814.4051149  72503 303741559      731658        s-trans-Propenoic acid
  559611.4266  0.0068 -5.0812 3  248.0479 75  72503 303371127      36 828        s-trans-Propenoic acid
  559614.6295  0.0520 -4.2022 3  814.4051149  72503 303741659      731658        s-trans-Propenoic acid
  559619.5472  0.2676 -5.5097 3  676.8712 89  72503 3034441 3      4440 4        s-trans-Propenoic acid
  559619.5472  0.2676 -5.5097 3  676.8712 89  72503 3034441 4      4440 5        s-trans-Propenoic acid
  559625.2726  0.0423 -3.9792 3  297.5900 63  72503 3033124 7      3023 8        s-trans-Propenoic acid
  559625.2726  0.0423 -3.9792 3  297.5900 63  72503 3033124 8      3023 7        s-trans-Propenoic acid
  559636.8766  0.0798 -4.3224 3  854.1816145  72503 303722548      712547        s-trans-Propenoic acid
  559639.3975  0.0798 -4.3224 3  854.1817145  72503 303722547      712546        s-trans-Propenoic acid
  559652.1519  0.0523 -4.2021 3  814.4021149  72503 303741559      731558        s-trans-Propenoic acid
  559703.6984  0.0528 -4.9135 3  814.4021149  72503 303741659      731558        s-trans-Propenoic acid
  559732.7869  0.2679 -5.6072 3  665.7985 87  72503 3034341 2      4340 3        s-trans-Propenoic acid
  559732.7869  0.2679 -5.6072 3  665.7985 87  72503 3034341 3      4340 4        s-trans-Propenoic acid
  559774.9019  0.4420 -5.2990 3 1247.9084149  72503 303744727      734726        s-trans-Propenoic acid
  559774.9019  0.4420 -5.2990 3 1247.9084149  72503 303744728      734727        s-trans-Propenoic acid
  559840.1501  0.2684 -5.7562 3  654.9793 85  72503 3034241 1      4240 2        s-trans-Propenoic acid
  559840.1501  0.2684 -5.7562 3  654.9793 85  72503 3034241 2      4240 3        s-trans-Propenoic acid
  560070.1806  0.1580 -4.5380 3  946.1861147  72503 303733142      723141        s-trans-Propenoic acid
  560070.1806  0.1580 -4.5380 3  946.1861147  72503 303733143      723142        s-trans-Propenoic acid
  560086.8692  0.4216 -5.2420 3 1226.6544149  72503 303744628      734627        s-trans-Propenoic acid
  560086.8692  0.4216 -5.2420 3 1226.6544149  72503 303744629      734628        s-trans-Propenoic acid
  560115.9601  0.0087 -5.7024 3  180.3468 55  72503 303271413      261214        s-trans-Propenoic acid
  560116.8473  0.0087 -5.7024 3  180.3468 55  72503 303271414      261215        s-trans-Propenoic acid
  560270.3060  0.0134 -4.3912 3  386.8387 95  72503 303471631      461532        s-trans-Propenoic acid
  560413.6831  0.4017 -5.1866 3 1205.8681149  72503 303744529      734528        s-trans-Propenoic acid
  560413.6831  0.4017 -5.1866 3 1205.8681149  72503 303744530      734529        s-trans-Propenoic acid
  560457.3618  0.0452 -4.9638 3  804.8419147  72503 303731657      721756        s-trans-Propenoic acid
  560606.6540  0.0062 -5.4820 3  212.6742 65  72503 303321319      311120        s-trans-Propenoic acid
  560652.5101  0.0145 -4.6395 3  387.9858 97  72503 303481434      471335        s-trans-Propenoic acid
  560756.9454  0.3821 -5.1327 3 1185.5505149  72503 303744430      734429        s-trans-Propenoic acid
  560756.9454  0.3821 -5.1327 3 1185.5505149  72503 303744431      734430        s-trans-Propenoic acid
  560808.7403  0.0356 -4.0081 3  303.1560 67  72503 303332310      322211        s-trans-Propenoic acid
  560808.7403  0.0356 -4.0081 3  303.1560 67  72503 303332311      322210        s-trans-Propenoic acid
  560928.1431  0.0137 -5.2382 3  303.0062 85  72503 303421131      41 932        s-trans-Propenoic acid
  561005.5133  0.1190 -4.9026 3  626.8011127  72503 303631747      621646        s-trans-Propenoic acid
  561010.8352  0.1446 -4.5023 3  932.6285147  72503 303733043      723042        s-trans-Propenoic acid
  561010.8352  0.1446 -4.5023 3  932.6285147  72503 303733044      723043        s-trans-Propenoic acid
  561069.4674  0.3283 -5.5284 3  935.1888157  72503 303782058      772157        s-trans-Propenoic acid
  561118.4662  0.3630 -5.0803 3 1165.7027149  72503 303744331      734330        s-trans-Propenoic acid
  561118.4662  0.3630 -5.0803 3 1165.7027149  72503 303744332      734331        s-trans-Propenoic acid
  561160.8222  0.0502 -4.1870 3  804.8419147  72503 303731757      721756        s-trans-Propenoic acid
  561250.1557  0.0061 -5.4813 3  212.6524 65  72503 303321320      311121        s-trans-Propenoic acid
  561361.5780  0.0401 -4.1930 3  798.2227143  72503 303712151      702150        s-trans-Propenoic acid
  561500.2987  0.3443 -5.0293 3 1146.3261149  72503 303744232      734231        s-trans-Propenoic acid
  561500.2987  0.3443 -5.0293 3 1146.3261149  72503 303744233      734232        s-trans-Propenoic acid
  561615.4196  0.0527 -4.1862 3  804.8033147  72503 303731657      721656        s-trans-Propenoic acid
  561653.3255  0.0365 -4.1553 3  783.1680143  72503 303711953      701952        s-trans-Propenoic acid
  561671.5467  0.0063 -5.3177 3  252.6737 75  72503 303371226      361027        s-trans-Propenoic acid
  561719.9727  0.0689 -4.2931 3  843.8829145  72503 303722449      712448        s-trans-Propenoic acid
  561742.0248  0.0689 -4.2930 3  843.8838145  72503 303722448      712447        s-trans-Propenoic acid
  561904.7819  0.3259 -4.9797 3 1127.4221149  72503 303744133      734132        s-trans-Propenoic acid
  561904.7819  0.3259 -4.9797 3 1127.4221149  72503 303744134      734133        s-trans-Propenoic acid
  561921.7790  0.0297 -4.0406 3  310.2479 71  72503 303352213      342114        s-trans-Propenoic acid
  561921.7790  0.0297 -4.0406 3  310.2479 71  72503 303352214      342113        s-trans-Propenoic acid
  561983.2805  0.0577 -4.1366 3  775.2530143  72503 303711754      701753        s-trans-Propenoic acid
  562064.2276  0.1316 -4.4678 3  919.5882147  72503 303732945      722944        s-trans-Propenoic acid
  562064.2279  0.1316 -4.4678 3  919.5882147  72503 303732944      722943        s-trans-Propenoic acid
  562318.8800  0.0580 -4.9608 3  804.8033147  72503 303731757      721656        s-trans-Propenoic acid
  562334.5928  0.3080 -4.9315 3 1108.9922149  72503 303744034      734033        s-trans-Propenoic acid
  562334.5928  0.3080 -4.9315 3 1108.9922149  72503 303744035      734034        s-trans-Propenoic acid
  562589.9120  0.0762 -4.2765 3  893.3256173  72503 30386 482      85 481        s-trans-Propenoic acid
  562589.9120  0.0762 -4.7055 3  893.3256173  72503 30386 482      85 581        s-trans-Propenoic acid
  562589.9120  0.0762 -4.7055 3  893.3256173  72503 30386 582      85 481        s-trans-Propenoic acid
  562589.9120  0.0762 -4.2765 3  893.3256173  72503 30386 582      85 581        s-trans-Propenoic acid
  562590.2925  0.0840 -4.2738 3  895.4019175  72503 30387 384      86 383        s-trans-Propenoic acid
  562590.2925  0.0840 -4.6901 3  895.4019175  72503 30387 384      86 483        s-trans-Propenoic acid
  562590.2925  0.0840 -4.6901 3  895.4019175  72503 30387 484      86 383        s-trans-Propenoic acid
  562590.2925  0.0840 -4.2738 3  895.4019175  72503 30387 484      86 483        s-trans-Propenoic acid
  562594.6780  0.0951 -4.2700 3  896.9556177  72503 30388 286      87 285        s-trans-Propenoic acid
  562594.6780  0.0951 -4.6745 3  896.9556177  72503 30388 286      87 385        s-trans-Propenoic acid
  562594.6780  0.0951 -4.6745 3  896.9556177  72503 30388 386      87 285        s-trans-Propenoic acid
  562594.6780  0.0951 -4.2700 3  896.9556177  72503 30388 386      87 385        s-trans-Propenoic acid
  562597.0252  0.0711 -4.2781 3  890.7213171  72503 30385 580      84 579        s-trans-Propenoic acid
  562597.0252  0.0711 -4.7209 3  890.7213171  72503 30385 580      84 679        s-trans-Propenoic acid
  562597.0252  0.0711 -4.7209 3  890.7213171  72503 30385 680      84 579        s-trans-Propenoic acid
  562597.0252  0.0711 -4.2781 3  890.7213171  72503 30385 680      84 679        s-trans-Propenoic acid
  562600.3167  0.1103 -4.2653 3  897.9914179  72503 30389 188      88 187        s-trans-Propenoic acid
  562600.3167  0.1103 -4.6587 3  897.9914179  72503 30389 188      88 287        s-trans-Propenoic acid
  562600.3167  0.1103 -4.6587 3  897.9914179  72503 30389 288      88 187        s-trans-Propenoic acid
  562600.3167  0.1103 -4.2653 3  897.9914179  72503 30389 288      88 287        s-trans-Propenoic acid
  562605.0154  0.1300 -4.2595 3  898.5136181  72503 30390 090      89 089        s-trans-Propenoic acid
  562605.0154  0.1300 -4.6426 3  898.5136181  72503 30390 090      89 189        s-trans-Propenoic acid
  562605.0154  0.1300 -4.6426 3  898.5136181  72503 30390 190      89 089        s-trans-Propenoic acid
  562605.0154  0.1300 -4.2595 3  898.5136181  72503 30390 190      89 189        s-trans-Propenoic acid
  562616.1056  0.0680 -4.2787 3  887.5820169  72503 30384 678      83 677        s-trans-Propenoic acid
  562616.1056  0.0680 -4.7364 3  887.5820169  72503 30384 678      83 777        s-trans-Propenoic acid
  562616.1056  0.0680 -4.7364 3  887.5820169  72503 30384 778      83 677        s-trans-Propenoic acid
  562616.1056  0.0680 -4.2787 3  887.5820169  72503 30384 778      83 777        s-trans-Propenoic acid
  562652.9636  0.0660 -4.2782 3  883.9000167  72503 30383 776      82 775        s-trans-Propenoic acid
  562652.9636  0.0660 -4.7521 3  883.9000167  72503 30383 776      82 875        s-trans-Propenoic acid
  562652.9636  0.0660 -4.7521 3  883.9000167  72503 30383 876      82 775        s-trans-Propenoic acid
  562652.9636  0.0660 -4.2782 3  883.9000167  72503 30383 876      82 875        s-trans-Propenoic acid
  562709.8488  0.0454 -4.1696 3  794.3639145  72503 303721855      711854        s-trans-Propenoic acid
  562715.2598  0.0647 -4.2765 3  879.6656165  72503 30382 874      81 873        s-trans-Propenoic acid
  562715.2598  0.0647 -4.7682 3  879.6656165  72503 30382 874      81 973        s-trans-Propenoic acid
  562715.2598  0.0647 -4.7682 3  879.6656165  72503 30382 974      81 873        s-trans-Propenoic acid
  562715.2598  0.0647 -4.2765 3  879.6656165  72503 30382 974      81 973        s-trans-Propenoic acid
  562792.8113  0.2905 -4.8847 3 1091.0383149  72503 303743935      733934        s-trans-Propenoic acid
  562792.8113  0.2905 -4.8847 3 1091.0383149  72503 303743936      733935        s-trans-Propenoic acid
  562798.8371  0.0138 -4.2973 3  369.6766 91  72503 303451729      441628        s-trans-Propenoic acid
  562813.2729  0.0637 -4.2736 3  874.8672163  72503 30381 972      80 971        s-trans-Propenoic acid
  562813.2729  0.0637 -4.7850 3  874.8672163  72503 30381 972      801071        s-trans-Propenoic acid
  562813.2729  0.0637 -4.7850 3  874.8672163  72503 303811072      80 971        s-trans-Propenoic acid
  562813.2729  0.0637 -4.2736 3  874.8672163  72503 303811072      801071        s-trans-Propenoic acid
  562848.6136  0.0137 -4.2972 3  369.6752 91  72503 303451728      441629        s-trans-Propenoic acid
  562913.8938  0.0246 -4.0774 3  318.8855 75  72503 303372116      362017        s-trans-Propenoic acid
  562913.8938  0.0246 -4.0774 3  318.8855 75  72503 303372117      362016        s-trans-Propenoic acid
  562961.0904  0.0627 -4.2695 3  869.4904161  72503 303801070      791069        s-trans-Propenoic acid
  562961.0904  0.0627 -4.8026 3  869.4904161  72503 303801070      791169        s-trans-Propenoic acid
  562961.0904  0.0627 -4.8026 3  869.4904161  72503 303801170      791069        s-trans-Propenoic acid
  562961.0904  0.0627 -4.2695 3  869.4904161  72503 303801170      791169        s-trans-Propenoic acid
  563098.6701  0.0357 -4.1708 3  790.4941143  72503 303712052      702051        s-trans-Propenoic acid
  563178.5308  0.0616 -4.8217 3  863.5174159  72503 303791168      781267        s-trans-Propenoic acid
  563178.5309  0.0616 -4.2641 3  863.5174159  72503 303791268      781267        s-trans-Propenoic acid
  563178.5310  0.0616 -4.2641 3  863.5174159  72503 303791168      781167        s-trans-Propenoic acid
  563178.5310  0.0616 -4.8217 3  863.5174159  72503 303791268      781167        s-trans-Propenoic acid
  563254.4965  0.1189 -4.4345 3  907.0752147  72503 303732846      722845        s-trans-Propenoic acid
  563254.5003  0.1189 -4.4345 3  907.0752147  72503 303732845      722844        s-trans-Propenoic acid
  563283.0005  0.2735 -4.8391 3 1073.5625149  72503 303743836      733835        s-trans-Propenoic acid
  563283.0005  0.2735 -4.8391 3 1073.5625149  72503 303743837      733836        s-trans-Propenoic acid
  563494.4116  0.0603 -4.8426 3  856.9251157  72503 303781266      771365        s-trans-Propenoic acid
  563494.4144  0.0603 -4.2572 3  856.9251157  72503 303781366      771365        s-trans-Propenoic acid
  563494.4170  0.0603 -4.2572 3  856.9251157  72503 303781266      771265        s-trans-Propenoic acid
  563494.4198  0.0603 -4.8426 3  856.9251157  72503 303781366      771265        s-trans-Propenoic acid
  563683.0775  0.0391 -4.0890 3  748.0095139  72503 303691950      681949        s-trans-Propenoic acid
  563703.0630  0.0203 -4.1194 3  329.0968 79  72503 303392020      381919        s-trans-Propenoic acid
  563703.0631  0.0203 -4.1194 3  329.0968 79  72503 303392019      381920        s-trans-Propenoic acid
  563739.1542  0.0428 -4.1386 3  772.5888141  72503 303702050      692049        s-trans-Propenoic acid
  563809.3086  0.2568 -4.7949 3 1056.5671149  72503 303743737      733736        s-trans-Propenoic acid
  563809.3086  0.2568 -4.7949 3 1056.5671149  72503 303743738      733737        s-trans-Propenoic acid
  563873.1070  0.0119 -5.1712 3  321.7167 87  72503 303431330      421131        s-trans-Propenoic acid
  563952.4104  0.0589 -4.8663 3  849.6837155  72503 303771364      761463        s-trans-Propenoic acid
  563952.4855  0.0589 -4.2487 3  849.6837155  72503 303771464      761463        s-trans-Propenoic acid
  563952.5504  0.0589 -4.2487 3  849.6837155  72503 303771364      761363        s-trans-Propenoic acid
  563952.6255  0.0589 -4.8663 3  849.6837155  72503 303771464      761363        s-trans-Propenoic acid
  563980.4766  0.0158 -4.4193 3  399.2154 97  72503 303481633      471532        s-trans-Propenoic acid
  564016.6755  0.0149 -4.2259 3  354.4170 87  72503 303431826      421725        s-trans-Propenoic acid
  564017.5433  0.0149 -4.2259 3  354.4170 87  72503 303431825      421726        s-trans-Propenoic acid
  564151.8787  0.0171 -4.1681 3  340.9212 83  72503 303411923      401822        s-trans-Propenoic acid
  564151.8876  0.0171 -4.1681 3  340.9212 83  72503 303411922      401823        s-trans-Propenoic acid
  564201.9071  0.0268 -5.0503 3  813.1339147  72503 303731756      721855        s-trans-Propenoic acid
  564240.5433  0.0585 -4.2647 3  834.2178145  72503 303722350      712349        s-trans-Propenoic acid
  564284.7940  0.0063 -5.3180 3  257.8517 77  72503 303381128      37 929        s-trans-Propenoic acid
  564376.5989  0.2405 -4.7520 3 1040.0547149  72503 303743638      733637        s-trans-Propenoic acid
  564376.5989  0.2405 -4.7520 3 1040.0547149  72503 303743639      733638        s-trans-Propenoic acid
  564406.7105  0.0581 -4.2644 3  834.2250145  72503 303722349      712348        s-trans-Propenoic acid
  564417.6567  0.0120 -4.5353 3  405.9825 99  72503 303491534      481435        s-trans-Propenoic acid
  564548.2290  0.4833 -5.7502 3 1223.7280157  72503 303784236      784137        s-trans-Propenoic acid
  564548.2290  0.4833 -5.7502 3 1223.7280157  72503 303784237      784138        s-trans-Propenoic acid
  564614.0190  0.1065 -4.4022 3  895.1025147  72503 303732747      722746        s-trans-Propenoic acid
  564614.0650  0.1065 -4.4022 3  895.1025147  72503 303732746      722745        s-trans-Propenoic acid
  564621.0825  0.0575 -4.8941 3  841.7520153  72503 303761462      751561        s-trans-Propenoic acid
  564622.7336  0.0575 -4.2384 3  841.7520153  72503 303761562      751561        s-trans-Propenoic acid
  564624.0646  0.0575 -4.2384 3  841.7519153  72503 303761462      751461        s-trans-Propenoic acid
  564625.7157  0.0575 -4.8941 3  841.7519153  72503 303761562      751461        s-trans-Propenoic acid
  564693.1222  0.0577 -3.9333 3  297.7857 57  72503 3032826 2      2725 3        s-trans-Propenoic acid
  564693.1222  0.0577 -3.9333 3  297.7857 57  72503 3032826 3      2725 2        s-trans-Propenoic acid
  564706.8133  0.0558 -4.7044 3  494.7400111  72503 303551640      541539        s-trans-Propenoic acid
  564736.1460  0.0404 -4.1882 3  798.4110143  72503 303712150      702149        s-trans-Propenoic acid
  564990.6184  0.2246 -4.7104 3 1024.0285149  72503 303743539      733538        s-trans-Propenoic acid
  564990.6184  0.2246 -4.7104 3 1024.0285149  72503 303743540      733539        s-trans-Propenoic acid
  565017.0438  0.4651 -5.7190 3 1203.9482155  72503 303774235      774136        s-trans-Propenoic acid
  565017.0438  0.4651 -5.7190 3 1203.9482155  72503 303774236      774137        s-trans-Propenoic acid
  565306.4290  0.0105 -5.1357 3  333.4378 89  72503 303441331      431132        s-trans-Propenoic acid
  565396.7868  0.0125 -5.2123 3  310.2371 85  72503 303421329      411130        s-trans-Propenoic acid
  565469.0650  0.4481 -5.6888 3 1184.4280153  72503 303764234      764135        s-trans-Propenoic acid
  565469.0650  0.4481 -5.6888 3 1184.4280153  72503 303764235      764136        s-trans-Propenoic acid
  565561.3705  0.0063 -5.4519 3  221.0125 67  72503 303331320      321121        s-trans-Propenoic acid
  565590.6374  0.0558 -4.9282 3  833.0719151  72503 303751560      741659        s-trans-Propenoic acid
  565620.2484  0.0561 -4.2260 3  833.0719151  72503 303751660      741659        s-trans-Propenoic acid
  565642.1839  0.0562 -4.2259 3  833.0701151  72503 303751560      741559        s-trans-Propenoic acid
  565658.2187  0.2091 -4.6701 3 1008.4921149  72503 303743440      733439        s-trans-Propenoic acid
  565658.2187  0.2091 -4.6701 3 1008.4921149  72503 303743441      733440        s-trans-Propenoic acid
  565671.7949  0.0565 -4.9281 3  833.0701151  72503 303751660      741559        s-trans-Propenoic acid
  565742.7218  0.0297 -4.0724 3  743.2047139  72503 303691851      681850        s-trans-Propenoic acid
  565770.5803  0.5998 -5.6850 3 1403.8223151  72503 303755322      745321        s-trans-Propenoic acid
  565770.5803  0.5998 -5.6850 3 1403.8223151  72503 303755323      745322        s-trans-Propenoic acid
  565904.7748  0.4322 -5.6594 3 1165.1671151  72503 303754233      754134        s-trans-Propenoic acid
  565904.7748  0.4322 -5.6594 3 1165.1671151  72503 303754234      754135        s-trans-Propenoic acid
  565930.1170  0.0494 -3.9575 3  300.8536 61  72503 3033025 5      2924 6        s-trans-Propenoic acid
  565930.1170  0.0494 -3.9575 3  300.8536 61  72503 3033025 6      2924 5        s-trans-Propenoic acid
  565989.5096  0.0132 -5.1576 3  329.7212 89  72503 303441232      431033        s-trans-Propenoic acid
  566026.5490  0.5758 -5.6187 3 1379.7882151  72503 303755223      745222        s-trans-Propenoic acid
  566026.5490  0.5758 -5.6187 3 1379.7882151  72503 303755224      745223        s-trans-Propenoic acid
  566141.2085  0.0688 -5.1813 3  840.0611149  72503 303741856      731955        s-trans-Propenoic acid
  566187.7158  0.0944 -4.3711 3  883.6865147  72503 303732648      722647        s-trans-Propenoic acid
  566188.2115  0.0944 -4.3711 3  883.6866147  72503 303732647      722646        s-trans-Propenoic acid
  566291.1814  0.5522 -5.5541 3 1356.2173151  72503 303755124      745123        s-trans-Propenoic acid
  566291.1814  0.5522 -5.5541 3 1356.2173151  72503 303755125      745124        s-trans-Propenoic acid
  566324.6428  0.4174 -5.6308 3 1146.1652149  72503 303744232      744133        s-trans-Propenoic acid
  566324.6428  0.4174 -5.6308 3 1146.1652149  72503 303744233      744134        s-trans-Propenoic acid
  566387.6530  0.1939 -4.6310 3  993.4498149  72503 303743341      733340        s-trans-Propenoic acid
  566387.6530  0.1939 -4.6310 3  993.4498149  72503 303743342      733341        s-trans-Propenoic acid
  566509.4228  0.0599 -4.1628 3  793.9988145  72503 303721755      711754        s-trans-Propenoic acid
  566565.3389  0.5291 -5.4913 3 1333.1104151  72503 303755025      745024        s-trans-Propenoic acid
  566565.3389  0.5291 -5.4913 3 1333.1104151  72503 303755026      745025        s-trans-Propenoic acid
  566665.4138  0.0510 -4.9740 3  823.5602149  72503 303741658      731757        s-trans-Propenoic acid
  566729.1260  0.4036 -5.6032 3 1127.4221147  72503 303734231      734132        s-trans-Propenoic acid
  566729.1260  0.4036 -5.6032 3 1127.4221147  72503 303734232      734133        s-trans-Propenoic acid
  566778.0213  0.0062 -5.4505 3  220.9711 67  72503 303331321      321122        s-trans-Propenoic acid
  566832.9997  0.0085 -5.6594 3  187.2643 57  72503 303281414      271215        s-trans-Propenoic acid
  566835.2364  0.0085 -5.6594 3  187.2642 57  72503 303281415      271216        s-trans-Propenoic acid
  566849.9769  0.5065 -5.4302 3 1310.4681151  72503 303754926      744925        s-trans-Propenoic acid
  566849.9769  0.5065 -5.4302 3 1310.4681151  72503 303754927      744926        s-trans-Propenoic acid
  566911.4996  0.0146 -4.4156 3  399.1364 97  72503 303481632      471533        s-trans-Propenoic acid
  567088.3562  0.0544 -4.2109 3  823.5602149  72503 303741758      731757        s-trans-Propenoic acid
  567118.6695  0.3909 -5.5766 3 1108.9375145  72503 303724230      724131        s-trans-Propenoic acid
  567118.6695  0.3909 -5.5766 3 1108.9375145  72503 303724231      724132        s-trans-Propenoic acid
  567143.0354  0.0420 -3.9843 3  305.4245 65  72503 3033224 8      3123 9        s-trans-Propenoic acid
  567143.0354  0.0420 -3.9843 3  305.4245 65  72503 3033224 9      3123 8        s-trans-Propenoic acid
  567146.1587  0.4842 -5.3707 3 1288.2912151  72503 303754827      744826        s-trans-Propenoic acid
  567146.1587  0.4842 -5.3707 3 1288.2912151  72503 303754828      744827        s-trans-Propenoic acid
  567188.9806  0.1792 -4.5931 3  978.9064149  72503 303743242      733241        s-trans-Propenoic acid
  567188.9806  0.1792 -4.5931 3  978.9064149  72503 303743243      733242        s-trans-Propenoic acid
  567194.8125  0.0490 -4.2373 3  825.2311145  72503 303722251      712250        s-trans-Propenoic acid
  567368.8742  0.0561 -4.2105 3  823.5367149  72503 303741658      731657        s-trans-Propenoic acid
  567455.0703  0.4624 -5.3127 3 1266.5805151  72503 303754728      744727        s-trans-Propenoic acid
  567455.0703  0.4624 -5.3127 3 1266.5805151  72503 303754729      744728        s-trans-Propenoic acid
  567493.7070  0.3792 -5.5508 3 1090.7113143  72503 303714229      714130        s-trans-Propenoic acid
  567493.7070  0.3792 -5.5508 3 1090.7113143  72503 303714230      714131        s-trans-Propenoic acid
  567778.0387  0.4411 -5.2563 3 1245.3369151  72503 303754629      744628        s-trans-Propenoic acid
  567778.0387  0.4411 -5.2563 3 1245.3369151  72503 303754630      744629        s-trans-Propenoic acid
  567791.8166  0.0596 -4.9722 3  823.5367149  72503 303741758      731657        s-trans-Propenoic acid
  567854.6612  0.3684 -5.5261 3 1072.7432141  72503 303704228      704129        s-trans-Propenoic acid
  567854.6612  0.3684 -5.5261 3 1072.7432141  72503 303704229      704130        s-trans-Propenoic acid
  568039.8766  0.0826 -4.3410 3  872.8491147  72503 303732549      722548        s-trans-Propenoic acid
  568044.6142  0.0826 -4.3410 3  872.8493147  72503 303732548      722547        s-trans-Propenoic acid
  568074.6334  0.1648 -4.5564 3  964.8680149  72503 303743143      733142        s-trans-Propenoic acid
  568074.6334  0.1648 -4.5564 3  964.8680149  72503 303743144      733143        s-trans-Propenoic acid
  568116.5536  0.4202 -5.2014 3 1224.5615151  72503 303754530      744529        s-trans-Propenoic acid
  568116.5536  0.4202 -5.2014 3 1224.5615151  72503 303754531      744530        s-trans-Propenoic acid
  568201.9444  0.3586 -5.5023 3 1055.0330139  72503 303694227      694128        s-trans-Propenoic acid
  568201.9444  0.3586 -5.5023 3 1055.0330139  72503 303694228      694129        s-trans-Propenoic acid
  568238.4356  0.0477 -4.2358 3  825.2825145  72503 303722250      712249        s-trans-Propenoic acid
  568309.7377  0.0354 -4.0142 3  311.5102 69  72503 303342311      332212        s-trans-Propenoic acid
  568309.7377  0.0354 -4.0142 3  311.5102 69  72503 303342312      332211        s-trans-Propenoic acid
  568472.2932  0.3997 -5.1480 3 1204.2553151  72503 303754431      744430        s-trans-Propenoic acid
  568472.2932  0.3997 -5.1480 3 1204.2553151  72503 303754432      744431        s-trans-Propenoic acid
  568535.9583  0.3496 -5.4797 3 1037.5805137  72503 303684226      684127        s-trans-Propenoic acid
  568535.9583  0.3496 -5.4797 3 1037.5805137  72503 303684227      684128        s-trans-Propenoic acid
  568579.4088  0.0122 -5.2513 3  299.0298 83  72503 303411328      401129        s-trans-Propenoic acid
  568624.1148  0.0411 -4.1774 3  801.9027145  72503 303721954      711953        s-trans-Propenoic acid
  568673.0500  0.0181 -4.4484 3  411.8538 99  72503 303491634      481533        s-trans-Propenoic acid
  568781.3579  0.0815 -4.3011 3  912.0916175  72503 30387 483      86 482        s-trans-Propenoic acid
  568781.3579  0.0815 -4.7295 3  912.0916175  72503 30387 483      86 582        s-trans-Propenoic acid
  568781.3579  0.0815 -4.7295 3  912.0916175  72503 30387 583      86 482        s-trans-Propenoic acid
  568781.3579  0.0815 -4.3011 3  912.0916175  72503 30387 583      86 582        s-trans-Propenoic acid
  568782.2160  0.0898 -4.2985 3  914.1679177  72503 30388 385      87 384        s-trans-Propenoic acid
  568782.2160  0.0898 -4.7144 3  914.1679177  72503 30388 385      87 484        s-trans-Propenoic acid
  568782.2160  0.0898 -4.7144 3  914.1679177  72503 30388 485      87 384        s-trans-Propenoic acid
  568782.2160  0.0898 -4.2985 3  914.1679177  72503 30388 485      87 484        s-trans-Propenoic acid
  568785.4240  0.0503 -4.1935 3  813.1339147  72503 303731856      721855        s-trans-Propenoic acid
  568786.8556  0.1017 -4.2949 3  915.7217179  72503 30389 287      88 286        s-trans-Propenoic acid
  568786.8556  0.1017 -4.6990 3  915.7217179  72503 30389 287      88 386        s-trans-Propenoic acid
  568786.8556  0.1017 -4.6990 3  915.7217179  72503 30389 387      88 286        s-trans-Propenoic acid
  568786.8556  0.1017 -4.2949 3  915.7217179  72503 30389 387      88 386        s-trans-Propenoic acid
  568787.6622  0.0761 -4.3027 3  909.4875173  72503 30386 581      85 580        s-trans-Propenoic acid
  568787.6622  0.0761 -4.7447 3  909.4875173  72503 30386 581      85 680        s-trans-Propenoic acid
  568787.6622  0.0761 -4.7447 3  909.4875173  72503 30386 681      85 580        s-trans-Propenoic acid
  568787.6622  0.0761 -4.3027 3  909.4875173  72503 30386 681      85 680        s-trans-Propenoic acid
  568792.6004  0.1177 -4.2902 3  916.7578181  72503 30390 189      89 188        s-trans-Propenoic acid
  568792.6004  0.1177 -4.6834 3  916.7578181  72503 30390 189      89 288        s-trans-Propenoic acid
  568792.6004  0.1177 -4.6834 3  916.7578181  72503 30390 289      89 188        s-trans-Propenoic acid
  568792.6004  0.1177 -4.2902 3  916.7578181  72503 30390 289      89 288        s-trans-Propenoic acid
  568797.3101  0.1385 -4.2845 3  917.2801183  72503 30391 091      90 090        s-trans-Propenoic acid
  568797.3101  0.1385 -4.6675 3  917.2801183  72503 30391 091      90 190        s-trans-Propenoic acid
  568797.3101  0.1385 -4.6675 3  917.2801183  72503 30391 191      90 090        s-trans-Propenoic acid
  568797.3101  0.1385 -4.2845 3  917.2801183  72503 30391 191      90 190        s-trans-Propenoic acid
  568805.4483  0.0726 -4.3032 3  906.3489171  72503 30385 679      84 678        s-trans-Propenoic acid
  568805.4483  0.0726 -4.7598 3  906.3489171  72503 30385 679      84 778        s-trans-Propenoic acid
  568805.4483  0.0726 -4.7598 3  906.3489171  72503 30385 779      84 678        s-trans-Propenoic acid
  568805.4483  0.0726 -4.3032 3  906.3489171  72503 30385 779      84 778        s-trans-Propenoic acid
  568840.3040  0.0705 -4.3026 3  902.6681169  72503 30384 777      83 776        s-trans-Propenoic acid
  568840.3040  0.0705 -4.7752 3  902.6681169  72503 30384 777      83 876        s-trans-Propenoic acid
  568840.3040  0.0705 -4.7752 3  902.6681169  72503 30384 877      83 776        s-trans-Propenoic acid
  568840.3040  0.0705 -4.3026 3  902.6681169  72503 30384 877      83 876        s-trans-Propenoic acid
  568847.1545  0.3796 -5.0960 3 1184.4196151  72503 303754332      744331        s-trans-Propenoic acid
  568847.1545  0.3796 -5.0960 3 1184.4196151  72503 303754333      744332        s-trans-Propenoic acid
  568857.0953  0.3415 -5.4580 3 1020.3854135  72503 303674225      674126        s-trans-Propenoic acid
  568857.0953  0.3415 -5.4580 3 1020.3854135  72503 303674226      674127        s-trans-Propenoic acid
  568877.0935  0.1721 -5.3388 3  886.9905153  72503 303761957      752056        s-trans-Propenoic acid
  568899.5637  0.0691 -4.3009 3  898.4357167  72503 30383 875      82 874        s-trans-Propenoic acid
  568899.5637  0.0691 -4.7908 3  898.4357167  72503 30383 875      82 974        s-trans-Propenoic acid
  568899.5637  0.0691 -4.7908 3  898.4357167  72503 30383 975      82 874        s-trans-Propenoic acid
  568899.5637  0.0691 -4.3009 3  898.4357167  72503 30383 975      82 974        s-trans-Propenoic acid
  568993.0191  0.0680 -4.2979 3  893.6406165  72503 30382 973      81 972        s-trans-Propenoic acid
  568993.0191  0.0680 -4.8071 3  893.6406165  72503 30382 973      811072        s-trans-Propenoic acid
  568993.0191  0.0680 -4.8071 3  893.6406165  72503 303821073      81 972        s-trans-Propenoic acid
  568993.0191  0.0680 -4.2979 3  893.6406165  72503 303821073      811072        s-trans-Propenoic acid
  569060.2297  0.1508 -4.5209 3  951.3418149  72503 303743045      733044        s-trans-Propenoic acid
  569060.2298  0.1508 -4.5209 3  951.3418149  72503 303743044      733043        s-trans-Propenoic acid
  569134.0119  0.0670 -4.2937 3  888.2688163  72503 303811071      801070        s-trans-Propenoic acid
  569134.0119  0.0670 -4.8242 3  888.2688163  72503 303811071      801170        s-trans-Propenoic acid
  569134.0119  0.0670 -4.8242 3  888.2688163  72503 303811171      801070        s-trans-Propenoic acid
  569134.0119  0.0670 -4.2937 3  888.2688163  72503 303811171      801170        s-trans-Propenoic acid
  569165.7380  0.3341 -5.4376 3 1003.4477133  72503 303664224      664125        s-trans-Propenoic acid
  569165.7380  0.3341 -5.4376 3 1003.4477133  72503 303664225      664126        s-trans-Propenoic acid
  569243.2915  0.3600 -5.0454 3 1165.0557151  72503 303754233      744232        s-trans-Propenoic acid
  569243.2915  0.3600 -5.0454 3 1165.0557151  72503 303754234      744233        s-trans-Propenoic acid
  569341.1819  0.0659 -4.8426 3  882.3030161  72503 303801169      791268        s-trans-Propenoic acid
  569341.1820  0.0659 -4.2882 3  882.3030161  72503 303801169      791168        s-trans-Propenoic acid
  569341.1820  0.0659 -4.2882 3  882.3030161  72503 303801269      791268        s-trans-Propenoic acid
  569341.1821  0.0659 -4.8426 3  882.3030161  72503 303801269      791168        s-trans-Propenoic acid
  569395.0331  0.0296 -4.0477 3  319.1267 73  72503 303362214      352115        s-trans-Propenoic acid
  569395.0331  0.0296 -4.0477 3  319.1267 73  72503 303362215      352114        s-trans-Propenoic acid
  569462.2599  0.3275 -5.4183 3  986.7670131  72503 303654223      654124        s-trans-Propenoic acid
  569462.2599  0.3275 -5.4183 3  986.7670131  72503 303654224      654125        s-trans-Propenoic acid
  569502.4802  0.0149 -4.3154 3  381.3453 93  72503 303461730      451629        s-trans-Propenoic acid
  569601.5204  0.0149 -4.3153 3  381.3426 93  72503 303461729      451630        s-trans-Propenoic acid
  569641.4022  0.0647 -4.8627 3  875.7213159  72503 303791267      781366        s-trans-Propenoic acid
  569641.4036  0.0647 -4.2813 3  875.7213159  72503 303791367      781366        s-trans-Propenoic acid
  569641.4050  0.0647 -4.2813 3  875.7213159  72503 303791267      781266        s-trans-Propenoic acid
  569641.4065  0.0647 -4.8627 3  875.7213159  72503 303791367      781266        s-trans-Propenoic acid
  569663.1595  0.3408 -4.9962 3 1146.1652151  72503 303754134      744133        s-trans-Propenoic acid
  569663.1595  0.3408 -4.9962 3 1146.1652151  72503 303754135      744134        s-trans-Propenoic acid
  569747.0257  0.3216 -5.4002 3  970.3432129  72503 303644222      644123        s-trans-Propenoic acid
  569747.0257  0.3216 -5.4002 3  970.3432129  72503 303644223      644124        s-trans-Propenoic acid
  569756.0146  0.0066 -5.1031 3  238.6497 75  72503 30337 829      36 730        s-trans-Propenoic acid
  569886.0793  0.0065 -5.4683 3  238.6454 75  72503 30337 829      36 630        s-trans-Propenoic acid
  569930.8966  0.0065 -5.4240 3  229.6436 69  72503 303341321      331122        s-trans-Propenoic acid
  569977.2698  0.4725 -5.6874 3 1005.8890163  72503 303812160      802259        s-trans-Propenoic acid
  570020.3917  0.3164 -5.3834 3  954.1761127  72503 303634221      634122        s-trans-Propenoic acid
  570020.3917  0.3164 -5.3834 3  954.1761127  72503 303634222      634123        s-trans-Propenoic acid
  570030.8078  0.0418 -4.2118 3  816.9477145  72503 303722152      712151        s-trans-Propenoic acid
  570074.9892  0.0633 -4.8854 3  868.4951157  72503 303781365      771464        s-trans-Propenoic acid
  570075.0293  0.0633 -4.2729 3  868.4951157  72503 303781465      771464        s-trans-Propenoic acid
  570075.0643  0.0633 -4.2729 3  868.4951157  72503 303781365      771364        s-trans-Propenoic acid
  570075.1044  0.0633 -4.8854 3  868.4951157  72503 303781465      771364        s-trans-Propenoic acid
  570109.5717  0.3221 -4.9484 3 1127.7497151  72503 303754035      744034        s-trans-Propenoic acid
  570109.5717  0.3221 -4.9484 3 1127.7497151  72503 303754036      744035        s-trans-Propenoic acid
  570165.7831  0.1371 -4.4866 3  938.3366149  72503 303742946      732945        s-trans-Propenoic acid
  570165.7838  0.1371 -4.4866 3  938.3366149  72503 303742945      732944        s-trans-Propenoic acid
  570189.2660  0.0065 -5.0403 3  257.6547 77  72503 303381128      37 829        s-trans-Propenoic acid
  570260.6257  0.0711 -4.3118 3  862.6199147  72503 303732450      722449        s-trans-Propenoic acid
  570282.7056  0.3118 -5.3681 3  938.2655125  72503 303624220      624121        s-trans-Propenoic acid
  570282.7056  0.3118 -5.3681 3  938.2655125  72503 303624221      624122        s-trans-Propenoic acid
  570300.2313  0.0710 -4.3117 3  862.6215147  72503 303732449      722448        s-trans-Propenoic acid
  570342.7624  0.0246 -4.0858 3  328.2956 77  72503 303382117      372018        s-trans-Propenoic acid
  570342.7624  0.0246 -4.0858 3  328.2956 77  72503 303382118      372017        s-trans-Propenoic acid
  570403.7238  0.1178 -4.8839 3  609.8798125  72503 303621746      611645        s-trans-Propenoic acid
  570434.9762  0.0064 -5.3014 3  262.3221 77  72503 303381227      371028        s-trans-Propenoic acid
  570526.2087  0.0058 -5.6369 3  183.5517 67  72503 30333 429      32 330        s-trans-Propenoic acid
  570530.1475  0.0058 -5.6369 3  183.5517 67  72503 30333 529      32 230        s-trans-Propenoic acid
  570534.3073  0.3077 -5.3541 3  922.6112123  72503 303614219      614120        s-trans-Propenoic acid
  570534.3073  0.3077 -5.3541 3  922.6112123  72503 303614220      614121        s-trans-Propenoic acid
  570553.5373  0.0466 -4.6556 3  480.0471109  72503 303541639      531538        s-trans-Propenoic acid
  570585.7680  0.3037 -4.9019 3 1109.8111151  72503 303753936      743935        s-trans-Propenoic acid
  570585.7680  0.3037 -4.9019 3 1109.8111151  72503 303753937      743936        s-trans-Propenoic acid
  570704.9268  0.0618 -4.9118 3  860.5858155  72503 303771463      761562        s-trans-Propenoic acid
  570705.8360  0.0618 -4.2626 3  860.5858155  72503 303771563      761562        s-trans-Propenoic acid
  570706.5780  0.0618 -4.2626 3  860.5857155  72503 303771463      761462        s-trans-Propenoic acid
  570707.4871  0.0618 -4.9118 3  860.5857155  72503 303771563      761462        s-trans-Propenoic acid
  570775.5289  0.3042 -5.3417 3  907.2130121  72503 303604218      604119        s-trans-Propenoic acid
  570775.5289  0.3042 -5.3417 3  907.2130121  72503 303604219      604120        s-trans-Propenoic acid
  570866.1583  0.0092 -5.1141 3  345.3697 91  72503 303451332      441133        s-trans-Propenoic acid
  570978.1376  0.0663 -3.9150 3  302.7612 55  72503 3032727 0      2626 1        s-trans-Propenoic acid
  570978.1376  0.0663 -3.9150 3  302.7612 55  72503 3032727 1      2626 0        s-trans-Propenoic acid
  571006.6947  0.3011 -5.3310 3  892.0707119  72503 303594217      594118        s-trans-Propenoic acid
  571006.6947  0.3011 -5.3310 3  892.0707119  72503 303594218      594119        s-trans-Propenoic acid
  571061.6986  0.0206 -4.1293 3  339.0469 81  72503 303402021      391920        s-trans-Propenoic acid
  571061.6988  0.0206 -4.1293 3  339.0469 81  72503 303402020      391921        s-trans-Propenoic acid
  571077.0609  0.0157 -4.2403 3  365.4885 89  72503 303441827      431726        s-trans-Propenoic acid
  571078.9909  0.0157 -4.2403 3  365.4885 89  72503 303441826      431727        s-trans-Propenoic acid
  571095.5013  0.2858 -4.8567 3 1092.3516151  72503 303753837      743836        s-trans-Propenoic acid
  571095.5013  0.2858 -4.8567 3 1092.3516151  72503 303753838      743837        s-trans-Propenoic acid
  571110.5177  0.0384 -4.1910 3  809.2771145  72503 303722053      712052        s-trans-Propenoic acid
  571228.1219  0.2985 -5.3221 3  877.1843117  72503 303584216      584117        s-trans-Propenoic acid
  571228.1219  0.2985 -5.3221 3  877.1843117  72503 303584217      584118        s-trans-Propenoic acid
  571349.3090  0.0619 -4.1890 3  812.8955147  72503 303731756      721755        s-trans-Propenoic acid
  571398.3346  0.0176 -4.1800 3  351.4233 85  72503 303421924      411823        s-trans-Propenoic acid
  571398.3571  0.0176 -4.1800 3  351.4233 85  72503 303421923      411824        s-trans-Propenoic acid
  571417.5687  0.1237 -4.4534 3  925.8634149  72503 303742847      732846        s-trans-Propenoic acid
  571417.5766  0.1237 -4.4534 3  925.8634149  72503 303742846      732845        s-trans-Propenoic acid
  571440.1204  0.2962 -5.3151 3  862.5534115  72503 303574215      574116        s-trans-Propenoic acid
  571440.1204  0.2962 -5.3151 3  862.5534115  72503 303574216      574117        s-trans-Propenoic acid
  571621.9082  0.0601 -4.9439 3  851.9389153  72503 303761561      751660        s-trans-Propenoic acid
  571638.7998  0.0603 -4.2503 3  851.9389153  72503 303761661      751660        s-trans-Propenoic acid
  571642.9931  0.2944 -5.3103 3  848.1780113  72503 303564214      564115        s-trans-Propenoic acid
  571642.9931  0.2944 -5.3103 3  848.1780113  72503 303564215      564116        s-trans-Propenoic acid
  571643.1472  0.2683 -4.8128 3 1075.3737151  72503 303753738      743737        s-trans-Propenoic acid
  571643.1472  0.2683 -4.8128 3 1075.3737151  72503 303753739      743738        s-trans-Propenoic acid
  571651.5192  0.0604 -4.2503 3  851.9379153  72503 303761561      751560        s-trans-Propenoic acid
  571668.4107  0.0606 -4.9438 3  851.9379153  72503 303761661      751560        s-trans-Propenoic acid
  571788.4439  0.0396 -4.0971 3  762.0759141  72503 303701852      691851        s-trans-Propenoic acid
  571837.0361  0.2928 -5.3079 3  834.0578111  72503 303554213      554114        s-trans-Propenoic acid
  571837.0361  0.2928 -5.3079 3  834.0578111  72503 303554214      554115        s-trans-Propenoic acid
  571884.4889  0.0363 -5.0519 3  832.1065149  72503 303741757      731856        s-trans-Propenoic acid
  572022.5388  0.2916 -5.3081 3  820.1927109  72503 303544212      544113        s-trans-Propenoic acid
  572022.5388  0.2916 -5.3081 3  820.1927109  72503 303544213      544114        s-trans-Propenoic acid
  572151.4078  0.0063 -5.4215 3  229.5679 69  72503 303341322      331123        s-trans-Propenoic acid
  572195.2897  0.0114 -5.2843 3  288.1234 81  72503 303401327      391128        s-trans-Propenoic acid
  572199.7841  0.2906 -5.3114 3  806.5825107  72503 303534211      534112        s-trans-Propenoic acid
  572199.7841  0.2906 -5.3114 3  806.5825107  72503 303534212      534113        s-trans-Propenoic acid
  572223.1270  0.0573 -3.9377 3  304.8461 59  72503 3032926 3      2825 4        s-trans-Propenoic acid
  572223.1270  0.0573 -3.9377 3  304.8461 59  72503 3032926 4      2825 3        s-trans-Propenoic acid
  572233.8441  0.2512 -4.7701 3 1058.8803151  72503 303753639      743638        s-trans-Propenoic acid
  572233.8441  0.2512 -4.7701 3 1058.8803151  72503 303753640      743639        s-trans-Propenoic acid
  572369.0485  0.2898 -5.3180 3  793.2271105  72503 303524210      524111        s-trans-Propenoic acid
  572369.0485  0.2898 -5.3180 3  793.2271105  72503 303524211      524112        s-trans-Propenoic acid
  572412.7355  0.0211 -4.4812 3  424.8094101  72503 303501635      491534        s-trans-Propenoic acid
  572530.6022  0.2893 -5.3288 3  780.1264103  72503 3035142 9      514110        s-trans-Propenoic acid
  572530.6022  0.2893 -5.3288 3  780.1264103  72503 303514210      514111        s-trans-Propenoic acid
  572684.7095  0.2889 -5.3443 3  767.2801101  72503 3035042 8      5041 9        s-trans-Propenoic acid
  572684.7095  0.2889 -5.3443 3  767.2801101  72503 3035042 9      504110        s-trans-Propenoic acid
  572770.3497  0.0565 -4.9860 3  842.4762151  72503 303751659      741758        s-trans-Propenoic acid
  572831.6285  0.2887 -5.3656 3  754.6881 99  72503 3034942 7      4941 8        s-trans-Propenoic acid
  572831.6285  0.2887 -5.3656 3  754.6881 99  72503 3034942 8      4941 9        s-trans-Propenoic acid
  572851.1270  0.1107 -4.4214 3  913.9360149  72503 303742748      732747        s-trans-Propenoic acid
  572851.2195  0.1107 -4.4214 3  913.9360149  72503 303742747      732746        s-trans-Propenoic acid
  572873.6755  0.2345 -4.7288 3 1042.8746151  72503 303753540      743539        s-trans-Propenoic acid
  572873.6755  0.2345 -4.7288 3 1042.8746151  72503 303753541      743540        s-trans-Propenoic acid
  572930.2564  0.1178 -5.0177 3  775.2530143  72503 303711854      701753        s-trans-Propenoic acid
  572942.0165  0.0602 -4.2835 3  853.0388147  72503 303732351      722350        s-trans-Propenoic acid
  572971.6114  0.2886 -5.3941 3  742.3503 97  72503 3034842 6      4841 7        s-trans-Propenoic acid
  572971.6114  0.2886 -5.3941 3  742.3503 97  72503 3034842 7      4841 8        s-trans-Propenoic acid
  573022.2399  0.0587 -4.2355 3  842.4762151  72503 303751759      741758        s-trans-Propenoic acid
  573104.9045  0.2886 -5.4320 3  730.2666 95  72503 3034742 5      4741 6        s-trans-Propenoic acid
  573104.9045  0.2886 -5.4320 3  730.2666 95  72503 3034742 6      4741 7        s-trans-Propenoic acid
  573193.2920  0.0599 -4.2352 3  842.4621151  72503 303751659      741658        s-trans-Propenoic acid
  573225.5560  0.0595 -4.2831 3  853.0516147  72503 303732350      722349        s-trans-Propenoic acid
  573231.7486  0.2888 -5.4826 3  718.4367 93  72503 3034642 4      4641 5        s-trans-Propenoic acid
  573231.7486  0.2888 -5.4826 3  718.4367 93  72503 3034642 5      4641 6        s-trans-Propenoic acid
  573352.3787  0.2890 -5.5512 3  706.8606 91  72503 3034542 3      4541 4        s-trans-Propenoic acid
  573352.3787  0.2890 -5.5512 3  706.8606 91  72503 3034542 4      4541 5        s-trans-Propenoic acid
  573399.5746  0.6272 -5.6960 3 1422.6944153  72503 303765323      755322        s-trans-Propenoic acid
  573399.5746  0.6272 -5.6960 3 1422.6944153  72503 303765324      755323        s-trans-Propenoic acid
  573428.9185  0.0083 -5.6192 3  194.4494 59  72503 303291415      281216        s-trans-Propenoic acid
  573434.3194  0.0083 -5.6192 3  194.4492 59  72503 303291416      281217        s-trans-Propenoic acid
  573445.1823  0.0622 -4.9849 3  842.4621151  72503 303751759      741658        s-trans-Propenoic acid
  573454.2712  0.0491 -3.9625 3  308.4276 63  72503 3033125 6      3024 7        s-trans-Propenoic acid
  573454.2712  0.0491 -3.9625 3  308.4276 63  72503 3033125 7      3024 6        s-trans-Propenoic acid
  573467.0243  0.2893 -5.6483 3  695.5381 89  72503 3034442 2      4441 3        s-trans-Propenoic acid
  573467.0243  0.2893 -5.6483 3  695.5381 89  72503 3034442 3      4441 4        s-trans-Propenoic acid
  573517.0306  0.0069 -5.3984 3  238.5762 71  72503 303351322      341123        s-trans-Propenoic acid
  573569.9112  0.2182 -4.6887 3 1027.3605151  72503 303753441      743440        s-trans-Propenoic acid
  573569.9112  0.2182 -4.6887 3 1027.3605151  72503 303753442      743441        s-trans-Propenoic acid
  573656.8248  0.1039 -5.0238 3  793.9988145  72503 303721855      711754        s-trans-Propenoic acid
  573663.6976  0.6021 -5.6305 3 1398.6688153  72503 303765224      755223        s-trans-Propenoic acid
  573663.6976  0.6021 -5.6305 3 1398.6688153  72503 303765225      755224        s-trans-Propenoic acid
  573734.1742  0.0159 -4.4423 3  411.7187 99  72503 303491633      481534        s-trans-Propenoic acid
  573892.3406  0.0053 -5.4436 3  196.9300 69  72503 30334 529      33 430        s-trans-Propenoic acid
  573926.3933  0.0053 -5.4435 3  196.9300 69  72503 30334 629      33 330        s-trans-Propenoic acid
  573928.8636  0.0367 -4.1048 3  766.8119141  72503 303701951      691950        s-trans-Propenoic acid
  573936.8956  0.5775 -5.5667 3 1375.1068153  72503 303765125      755124        s-trans-Propenoic acid
  573936.8956  0.5775 -5.5667 3 1375.1068153  72503 303765126      755125        s-trans-Propenoic acid
  574163.7369  0.1340 -5.0124 3  756.6485141  72503 303701853      691752        s-trans-Propenoic acid
  574194.3683  0.0381 -4.6066 3  465.7062107  72503 303531638      521537        s-trans-Propenoic acid
  574220.0682  0.5533 -5.5045 3 1352.0090153  72503 303765026      755025        s-trans-Propenoic acid
  574220.0682  0.5533 -5.5045 3 1352.0090153  72503 303765027      755026        s-trans-Propenoic acid
  574331.3312  0.2024 -4.6498 3 1012.3424151  72503 303753342      743341        s-trans-Propenoic acid
  574331.3312  0.2024 -4.6498 3 1012.3424151  72503 303753343      743342        s-trans-Propenoic acid
  574514.2135  0.5295 -5.4440 3 1329.3762153  72503 303764927      754926        s-trans-Propenoic acid
  574514.2135  0.5295 -5.4440 3 1329.3762153  72503 303764928      754927        s-trans-Propenoic acid
  574516.2239  0.0979 -4.3904 3  902.5725149  72503 303742649      732648        s-trans-Propenoic acid
  574517.1818  0.0979 -4.3904 3  902.5726149  72503 303742648      732647        s-trans-Propenoic acid
  574655.9587  0.0417 -3.9901 3  313.5152 67  72503 3033324 9      322310        s-trans-Propenoic acid
  574655.9587  0.0417 -3.9901 3  313.5152 67  72503 303332410      3223 9        s-trans-Propenoic acid
  574778.8088  0.0553 -4.2180 3  832.1065149  72503 303741857      731856        s-trans-Propenoic acid
  574820.4428  0.5062 -5.3851 3 1307.2091153  72503 303764828      754827        s-trans-Propenoic acid
  574820.4428  0.5062 -5.3851 3 1307.2091153  72503 303764829      754828        s-trans-Propenoic acid
  574841.5226  0.0253 -4.5183 3  438.0949103  72503 303511636      501535        s-trans-Propenoic acid
  574972.0249  0.0872 -4.3264 3  931.0641177  72503 30388 484      87 483        s-trans-Propenoic acid
  574972.0249  0.0872 -4.7542 3  931.0641177  72503 30388 484      87 583        s-trans-Propenoic acid
  574972.0249  0.0872 -4.7542 3  931.0641177  72503 30388 584      87 483        s-trans-Propenoic acid
  574972.0249  0.0872 -4.3264 3  931.0641177  72503 30388 584      87 583        s-trans-Propenoic acid
  574973.3464  0.0960 -4.3239 3  933.1404179  72503 30389 386      88 385        s-trans-Propenoic acid
  574973.3464  0.0960 -4.7392 3  933.1404179  72503 30389 386      88 485        s-trans-Propenoic acid
  574973.3464  0.0960 -4.7392 3  933.1404179  72503 30389 486      88 385        s-trans-Propenoic acid
  574973.3464  0.0960 -4.3239 3  933.1404179  72503 30389 486      88 485        s-trans-Propenoic acid
  574977.5472  0.0813 -4.3279 3  928.4602175  72503 30387 582      86 581        s-trans-Propenoic acid
  574977.5472  0.0813 -4.7690 3  928.4602175  72503 30387 582      86 681        s-trans-Propenoic acid
  574977.5472  0.0813 -4.7690 3  928.4602175  72503 30387 682      86 581        s-trans-Propenoic acid
  574977.5472  0.0813 -4.3279 3  928.4602175  72503 30387 682      86 681        s-trans-Propenoic acid
  574978.2331  0.1086 -4.3203 3  934.6944181  72503 30390 288      89 287        s-trans-Propenoic acid
  574978.2331  0.1086 -4.7241 3  934.6944181  72503 30390 288      89 387        s-trans-Propenoic acid
  574978.2331  0.1086 -4.7241 3  934.6944181  72503 30390 388      89 287        s-trans-Propenoic acid
  574978.2331  0.1086 -4.3203 3  934.6944181  72503 30390 388      89 387        s-trans-Propenoic acid
  574984.0808  0.1256 -4.3157 3  935.7307183  72503 30391 190      90 189        s-trans-Propenoic acid
  574984.0808  0.1256 -4.7087 3  935.7307183  72503 30391 190      90 289        s-trans-Propenoic acid
  574984.0808  0.1256 -4.7087 3  935.7307183  72503 30391 290      90 189        s-trans-Propenoic acid
  574984.0808  0.1256 -4.3157 3  935.7307183  72503 30391 290      90 289        s-trans-Propenoic acid
  574988.8005  0.1474 -4.3101 3  936.2531185  72503 30392 092      91 091        s-trans-Propenoic acid
  574988.8005  0.1474 -4.6930 3  936.2531185  72503 30392 092      91 191        s-trans-Propenoic acid
  574988.8005  0.1474 -4.6930 3  936.2531185  72503 30392 192      91 091        s-trans-Propenoic acid
  574988.8005  0.1474 -4.3101 3  936.2531185  72503 30392 192      91 191        s-trans-Propenoic acid
  574994.0864  0.0776 -4.3283 3  925.3222173  72503 30386 680      85 679        s-trans-Propenoic acid
  574994.0864  0.0776 -4.7839 3  925.3222173  72503 30386 680      85 779        s-trans-Propenoic acid
  574994.0864  0.0776 -4.7839 3  925.3222173  72503 30386 780      85 679        s-trans-Propenoic acid
  574994.0864  0.0776 -4.3283 3  925.3222173  72503 30386 780      85 779        s-trans-Propenoic acid
  575006.2418  0.0480 -4.1532 3  791.3932143  72503 303712051      702050        s-trans-Propenoic acid
  575027.0204  0.0752 -4.3276 3  921.6425171  72503 30385 778      84 777        s-trans-Propenoic acid
  575027.0204  0.0752 -4.7988 3  921.6425171  72503 30385 778      84 877        s-trans-Propenoic acid
  575027.0204  0.0752 -4.7988 3  921.6425171  72503 30385 878      84 777        s-trans-Propenoic acid
  575027.0204  0.0752 -4.3276 3  921.6425171  72503 30385 878      84 877        s-trans-Propenoic acid
  575070.8053  0.0055 -5.1867 3  224.5001 73  72503 30336 729      35 630        s-trans-Propenoic acid
  575078.0277  0.0445 -4.2047 3  817.2486145  72503 303722151      712150        s-trans-Propenoic acid
  575083.3773  0.0737 -4.3258 3  917.4122169  72503 30384 876      83 875        s-trans-Propenoic acid
  575083.3773  0.0737 -4.8141 3  917.4122169  72503 30384 876      83 975        s-trans-Propenoic acid
  575083.3773  0.0737 -4.8141 3  917.4122169  72503 30384 976      83 875        s-trans-Propenoic acid
  575083.3773  0.0737 -4.3258 3  917.4122169  72503 30384 976      83 975        s-trans-Propenoic acid
  575088.8068  0.0055 -5.5629 3  224.4995 73  72503 30336 729      35 530        s-trans-Propenoic acid
  575139.9958  0.4834 -5.3277 3 1285.5087153  72503 303764729      754728        s-trans-Propenoic acid
  575139.9958  0.4834 -5.3277 3 1285.5087153  72503 303764730      754729        s-trans-Propenoic acid
  575168.6717  0.1869 -4.6121 3  997.8258151  72503 303753243      743242        s-trans-Propenoic acid
  575168.6717  0.1869 -4.6121 3  997.8258151  72503 303753244      743243        s-trans-Propenoic acid
  575172.4944  0.0726 -4.3228 3  912.6201167  72503 30383 974      82 973        s-trans-Propenoic acid
  575172.4944  0.0726 -4.8299 3  912.6201167  72503 30383 974      821073        s-trans-Propenoic acid
  575172.4944  0.0726 -4.8299 3  912.6201167  72503 303831074      82 973        s-trans-Propenoic acid
  575172.4944  0.0726 -4.3228 3  912.6201167  72503 303831074      821073        s-trans-Propenoic acid
  575241.6863  0.0103 -5.3107 3  277.5406 79  72503 303391326      381127        s-trans-Propenoic acid
  575307.0232  0.0716 -4.3186 3  907.2530165  72503 303821072      811071        s-trans-Propenoic acid
  575307.0232  0.0716 -4.8465 3  907.2530165  72503 303821072      811171        s-trans-Propenoic acid
  575307.0232  0.0716 -4.8465 3  907.2530165  72503 303821172      811071        s-trans-Propenoic acid
  575307.0232  0.0716 -4.3186 3  907.2530165  72503 303821172      811171        s-trans-Propenoic acid
  575334.3132  0.0464 -4.2006 3  820.8700147  72503 303731955      721954        s-trans-Propenoic acid
  575474.2610  0.4611 -5.2718 3 1264.2759153  72503 303764630      754629        s-trans-Propenoic acid
  575474.2610  0.4611 -5.2718 3 1264.2759153  72503 303764631      754630        s-trans-Propenoic acid
  575504.5216  0.0705 -4.8643 3  901.2941163  72503 303811170      801269        s-trans-Propenoic acid
  575504.5217  0.0705 -4.3130 3  901.2941163  72503 303811170      801169        s-trans-Propenoic acid
  575504.5217  0.0705 -4.8643 3  901.2941163  72503 303811270      801169        s-trans-Propenoic acid
  575504.5217  0.0705 -4.3130 3  901.2941163  72503 303811270      801269        s-trans-Propenoic acid
  575506.2301  0.0063 -5.3807 3  253.0094 77  72503 303381029      37 830        s-trans-Propenoic acid
  575556.6935  0.0309 -4.5603 3  451.7235105  72503 303521637      511536        s-trans-Propenoic acid
  575660.4866  0.0058 -5.4625 3  238.6497 75  72503 30337 929      36 730        s-trans-Propenoic acid
  575694.6222  0.0052 -5.2983 3  210.5859 71  72503 30335 629      34 530        s-trans-Propenoic acid
  575696.6260  0.0052 -5.6819 3  210.5858 71  72503 30335 629      34 430        s-trans-Propenoic acid
  575790.0976  0.0692 -4.8836 3  894.7225161  72503 303801268      791367        s-trans-Propenoic acid
  575790.0984  0.0692 -4.3061 3  894.7225161  72503 303801368      791367        s-trans-Propenoic acid
  575790.0991  0.0692 -4.3061 3  894.7225161  72503 303801268      791267        s-trans-Propenoic acid
  575790.0998  0.0692 -4.8836 3  894.7225161  72503 303801368      791267        s-trans-Propenoic acid
  575790.5513  0.0058 -5.0977 3  238.6454 75  72503 30337 929      36 630        s-trans-Propenoic acid
  575803.3964  0.0352 -4.0209 3  320.1219 71  72503 303352312      342213        s-trans-Propenoic acid
  575803.3964  0.0352 -4.0209 3  320.1219 71  72503 303352313      342212        s-trans-Propenoic acid
  575824.7973  0.4392 -5.2174 3 1243.5118153  72503 303764531      754530        s-trans-Propenoic acid
  575824.7973  0.4392 -5.2174 3 1243.5118153  72503 303764532      754531        s-trans-Propenoic acid
  575928.7631  0.0052 -5.6816 3  210.5859 71  72503 30335 729      34 530        s-trans-Propenoic acid
  575930.7669  0.0052 -5.2980 3  210.5858 71  72503 30335 729      34 430        s-trans-Propenoic acid
  575932.8259  0.0932 -5.0311 3  812.8955147  72503 303731856      721755        s-trans-Propenoic acid
  575992.4994  0.0506 -4.2564 3  844.1507147  72503 303732252      722251        s-trans-Propenoic acid
  576012.2888  0.0138 -4.5774 3  418.8812101  72503 303501535      491436        s-trans-Propenoic acid
  576069.3564  0.0074 -5.3751 3  247.8212 73  72503 303361323      351124        s-trans-Propenoic acid
  576081.2177  0.0162 -4.3351 3  393.2947 95  72503 303471731      461630        s-trans-Propenoic acid
  576095.2519  0.1717 -4.5757 3  983.8169151  72503 303753144      743143        s-trans-Propenoic acid
  576095.2519  0.1717 -4.5757 3  983.8169151  72503 303753145      743144        s-trans-Propenoic acid
  576193.3621  0.4177 -5.1644 3 1223.2175153  72503 303764432      754431        s-trans-Propenoic acid
  576193.3621  0.4177 -5.1644 3 1223.2175153  72503 303764433      754432        s-trans-Propenoic acid
  576201.0475  0.0678 -4.9053 3  887.5107159  72503 303791366      781465        s-trans-Propenoic acid
  576201.0688  0.0678 -4.2976 3  887.5107159  72503 303791466      781465        s-trans-Propenoic acid
  576201.0876  0.0678 -4.2976 3  887.5107159  72503 303791366      781365        s-trans-Propenoic acid
  576201.1089  0.0678 -4.9053 3  887.5107159  72503 303791466      781365        s-trans-Propenoic acid
  576273.4095  0.0062 -5.0353 3  252.9838 77  72503 303381029      37 730        s-trans-Propenoic acid
  576273.8313  0.0162 -4.3348 3  393.2893 95  72503 303471730      461631        s-trans-Propenoic acid
  576383.0930  0.0054 -5.5614 3  224.5001 73  72503 30336 829      35 630        s-trans-Propenoic acid
  576401.0944  0.0054 -5.1852 3  224.4995 73  72503 30336 829      35 530        s-trans-Propenoic acid
  576468.0057  0.0641 -4.2151 3  831.9536149  72503 303741757      731756        s-trans-Propenoic acid
  576484.2917  0.0854 -4.3604 3  891.7969149  72503 303742550      732549        s-trans-Propenoic acid
  576493.0669  0.0854 -4.3604 3  891.7972149  72503 303742549      732548        s-trans-Propenoic acid
  576581.9436  0.3967 -5.1128 3 1203.3943153  72503 303764333      754332        s-trans-Propenoic acid
  576581.9436  0.3967 -5.1128 3 1203.3943153  72503 303764334      754333        s-trans-Propenoic acid
  576795.1936  0.0663 -4.9304 3  879.6225157  72503 303781464      771563        s-trans-Propenoic acid
  576795.6916  0.0663 -4.2874 3  879.6225157  72503 303781564      771563        s-trans-Propenoic acid
  576796.1027  0.0663 -4.2874 3  879.6224157  72503 303781464      771463        s-trans-Propenoic acid
  576796.6007  0.0663 -4.9304 3  879.6224157  72503 303781564      771463        s-trans-Propenoic acid
  576830.4985  0.0519 -4.1242 3  781.1487143  72503 303711853      701852        s-trans-Propenoic acid
  576857.4137  0.0295 -4.0556 3  328.2646 75  72503 303372215      362116        s-trans-Propenoic acid
  576857.4137  0.0295 -4.0556 3  328.2646 75  72503 303372216      362115        s-trans-Propenoic acid
  576992.8005  0.3762 -5.0626 3 1184.0437153  72503 303764234      754233        s-trans-Propenoic acid
  576992.8005  0.3762 -5.0626 3 1184.0437153  72503 303764235      754234        s-trans-Propenoic acid
  577030.6220  0.0222 -4.7873 3  370.4348 95  72503 303471334      461235        s-trans-Propenoic acid
  577047.7226  0.0091 -5.3329 3  267.2952 77  72503 303381325      371126        s-trans-Propenoic acid
  577127.8837  0.1570 -4.5404 3  970.3236151  72503 303753046      743045        s-trans-Propenoic acid
  577127.8838  0.1570 -4.5404 3  970.3236151  72503 303753045      743044        s-trans-Propenoic acid
  577316.5514  0.0081 -5.3536 3  257.3906 75  72503 303371324      361125        s-trans-Propenoic acid
  577425.0764  0.0065 -5.3944 3  238.4426 71  72503 303351323      341124        s-trans-Propenoic acid
  577428.5103  0.3561 -5.0137 3 1165.1671153  72503 303764135      754134        s-trans-Propenoic acid
  577428.5103  0.3561 -5.0137 3 1165.1671153  72503 303764136      754135        s-trans-Propenoic acid
  577659.8227  0.0646 -4.9606 3  871.0067155  72503 303771562      761661        s-trans-Propenoic acid
  577662.4542  0.0489 -4.2540 3  844.2369147  72503 303732251      722250        s-trans-Propenoic acid
  577669.3949  0.0647 -4.2752 3  871.0067155  72503 303771662      761661        s-trans-Propenoic acid
  577674.0285  0.0419 -5.1673 3  859.4683151  72503 303751857      741956        s-trans-Propenoic acid
  577676.7142  0.0648 -4.2752 3  871.0062155  72503 303771562      761561        s-trans-Propenoic acid
  577683.7156  0.1501 -5.0067 3  738.1796139  72503 303691852      681751        s-trans-Propenoic acid
  577686.2864  0.0649 -4.9606 3  871.0062155  72503 303771662      761561        s-trans-Propenoic acid
  577755.6588  0.0247 -4.0950 3  337.9668 79  72503 303392118      382019        s-trans-Propenoic acid
  577755.6588  0.0247 -4.0950 3  337.9668 79  72503 303392119      382018        s-trans-Propenoic acid
  577892.0290  0.3364 -4.9662 3 1146.7665153  72503 303764036      754035        s-trans-Propenoic acid
  577892.0290  0.3364 -4.9662 3 1146.7665153  72503 303764037      754036        s-trans-Propenoic acid
  578079.7904  0.0167 -4.2559 3  376.8324 91  72503 303451828      441727        s-trans-Propenoic acid
  578083.9789  0.0167 -4.2559 3  376.8323 91  72503 303451827      441728        s-trans-Propenoic acid
  578288.2359  0.1426 -4.5063 3  957.3553151  72503 303752947      742946        s-trans-Propenoic acid
  578288.2372  0.1426 -4.5063 3  957.3553151  72503 303752946      742945        s-trans-Propenoic acid
  578386.7644  0.3172 -4.9200 3 1128.8438153  72503 303763937      753936        s-trans-Propenoic acid
  578386.7644  0.3172 -4.9200 3 1128.8438153  72503 303763938      753937        s-trans-Propenoic acid
  578396.7386  0.0209 -4.1401 3  349.2608 83  72503 303412022      401921        s-trans-Propenoic acid
  578396.7390  0.0209 -4.1401 3  349.2608 83  72503 303412021      401922        s-trans-Propenoic acid
  578509.2483  0.0658 -3.9194 3  309.5645 57  72503 3032827 1      2726 2        s-trans-Propenoic acid
  578509.2483  0.0658 -3.9194 3  309.5645 57  72503 3032827 2      2726 1        s-trans-Propenoic acid
  578590.3529  0.0437 -4.2317 3  835.9618147  72503 303732153      722152        s-trans-Propenoic acid
  578609.0729  0.0182 -4.1928 3  362.1928 87  72503 303431925      421824        s-trans-Propenoic acid
  578609.1275  0.0182 -4.1928 3  362.1928 87  72503 303431924      421825        s-trans-Propenoic acid
  578818.5939  0.0617 -4.9996 3  861.5902153  72503 303761660      751759        s-trans-Propenoic acid
  578851.9121  0.0733 -4.3314 3  881.6417149  72503 303742451      732450        s-trans-Propenoic acid
  578858.9114  0.0420 -4.2125 3  828.3273147  72503 303732054      722053        s-trans-Propenoic acid
  578916.6698  0.2984 -4.8751 3 1111.4013153  72503 303763838      753837        s-trans-Propenoic acid
  578916.6698  0.2984 -4.8751 3 1111.4013153  72503 303763839      753838        s-trans-Propenoic acid
  578917.0696  0.0465 -5.0575 3  851.2791151  72503 303751758      741857        s-trans-Propenoic acid
  578921.9607  0.0731 -4.3313 3  881.6446149  72503 303742450      732449        s-trans-Propenoic acid
  578967.3002  0.0632 -4.2606 3  861.5902153  72503 303761760      751759        s-trans-Propenoic acid
  579070.4842  0.0640 -4.2604 3  861.5818153  72503 303761660      751659        s-trans-Propenoic acid
  579219.1905  0.0655 -4.9990 3  861.5818153  72503 303761760      751659        s-trans-Propenoic acid
  579362.3257  0.0860 -5.0399 3  831.9536149  72503 303741857      731756        s-trans-Propenoic acid
  579486.3606  0.2801 -4.8315 3 1094.4417153  72503 303763739      753738        s-trans-Propenoic acid
  579486.3606  0.2801 -4.8315 3 1094.4417153  72503 303763740      753739        s-trans-Propenoic acid
  579510.7495  0.0065 -5.3180 3  267.5612 79  72503 303391129      38 930        s-trans-Propenoic acid
  579604.9632  0.1285 -4.4733 3  944.9238151  72503 303752848      742847        s-trans-Propenoic acid
  579604.9796  0.1285 -4.4733 3  944.9238151  72503 303752847      742846        s-trans-Propenoic acid
  579661.5498  0.0202 -4.6974 3  400.5798 99  72503 303491435      481336        s-trans-Propenoic acid
  579707.7119  0.4697 -5.7173 3 1203.2901153  72503 303764333      764234        s-trans-Propenoic acid
  579707.7119  0.4697 -5.7173 3 1203.2901153  72503 303764334      764235        s-trans-Propenoic acid
  579750.9816  0.0569 -3.9425 3  312.1611 61  72503 3033026 4      2925 5        s-trans-Propenoic acid
  579750.9816  0.0569 -3.9425 3  312.1611 61  72503 3033026 5      2925 4        s-trans-Propenoic acid
  579781.5457  0.0207 -4.8758 3  341.5708 91  72503 303451233      441134        s-trans-Propenoic acid
  579887.9938  0.0081 -5.5817 3  201.9036 61  72503 303301416      291217        s-trans-Propenoic acid
  579900.5200  0.0081 -5.5817 3  201.9032 61  72503 303301417      291218        s-trans-Propenoic acid
  580101.2668  0.2622 -4.7892 3 1077.9680153  72503 303763640      753639        s-trans-Propenoic acid
  580101.2668  0.2622 -4.7892 3 1077.9680153  72503 303763641      753640        s-trans-Propenoic acid
  580118.5688  0.4538 -5.6883 3 1184.0437151  72503 303754332      754233        s-trans-Propenoic acid
  580118.5688  0.4538 -5.6883 3 1184.0437151  72503 303754333      754234        s-trans-Propenoic acid
  580284.1493  0.0087 -5.0428 3  262.4982 79  72503 30339 930      38 831        s-trans-Propenoic acid
  580449.8923  0.0066 -5.2893 3  272.2063 79  72503 303391228      381029        s-trans-Propenoic acid
  580468.5343  0.1118 -4.8558 3  593.1830123  72503 303611745      601644        s-trans-Propenoic acid
  580514.7057  0.4390 -5.6602 3 1165.0557149  72503 303744331      744232        s-trans-Propenoic acid
  580514.7057  0.4390 -5.6602 3 1165.0557149  72503 303744332      744233        s-trans-Propenoic acid
  580720.2105  0.0604 -4.2432 3  851.2791151  72503 303751858      741857        s-trans-Propenoic acid
  580725.8728  0.0086 -5.3965 3  262.4835 79  72503 30339 930      38 731        s-trans-Propenoic acid
  580767.8300  0.2447 -4.7481 3 1061.9836153  72503 303763541      753540        s-trans-Propenoic acid
  580767.8300  0.2447 -4.7481 3 1061.9836153  72503 303763542      753541        s-trans-Propenoic acid
  580896.5382  0.4253 -5.6330 3 1146.3261147  72503 303734330      734231        s-trans-Propenoic acid
  580896.5382  0.4253 -5.6330 3 1146.3261147  72503 303734331      734232        s-trans-Propenoic acid
  580923.4284  0.0170 -4.4715 3  424.5851101  72503 303501634      491535        s-trans-Propenoic acid
  580974.9019  0.0488 -3.9681 3  316.2570 65  72503 3033225 7      3124 8        s-trans-Propenoic acid
  580974.9019  0.0488 -3.9681 3  316.2570 65  72503 3033225 8      3124 7        s-trans-Propenoic acid
  581031.9895  0.6554 -5.7085 3 1441.8209155  72503 303775324      765323        s-trans-Propenoic acid
  581031.9895  0.6554 -5.7085 3 1441.8209155  72503 303775325      765324        s-trans-Propenoic acid
  581117.1691  0.1148 -4.4414 3  933.0443151  72503 303752749      742748        s-trans-Propenoic acid
  581117.3526  0.1148 -4.4414 3  933.0443151  72503 303752748      742747        s-trans-Propenoic acid
  581161.9031  0.0931 -4.3523 3  950.2431179  72503 30389 485      88 484        s-trans-Propenoic acid
  581161.9031  0.0931 -4.7794 3  950.2431179  72503 30389 485      88 584        s-trans-Propenoic acid
  581161.9031  0.0931 -4.7794 3  950.2431179  72503 30389 585      88 484        s-trans-Propenoic acid
  581161.9031  0.0931 -4.3523 3  950.2431179  72503 30389 585      88 584        s-trans-Propenoic acid
  581163.6345  0.0635 -4.1529 3  800.3897145  72503 303721854      711853        s-trans-Propenoic acid
  581163.6743  0.1026 -4.3498 3  952.3194181  72503 30390 387      89 386        s-trans-Propenoic acid
  581163.6743  0.1026 -4.7647 3  952.3194181  72503 30390 387      89 486        s-trans-Propenoic acid
  581163.6743  0.1026 -4.7647 3  952.3194181  72503 30390 487      89 386        s-trans-Propenoic acid
  581163.6743  0.1026 -4.3498 3  952.3194181  72503 30390 487      89 486        s-trans-Propenoic acid
  581166.6688  0.0868 -4.3537 3  947.6394177  72503 30388 583      87 582        s-trans-Propenoic acid
  581166.6688  0.0868 -4.7940 3  947.6394177  72503 30388 583      87 682        s-trans-Propenoic acid
  581166.6688  0.0868 -4.7940 3  947.6394177  72503 30388 683      87 582        s-trans-Propenoic acid
  581166.6688  0.0868 -4.3537 3  947.6394177  72503 30388 683      87 682        s-trans-Propenoic acid
  581168.8013  0.1159 -4.3463 3  953.8736183  72503 30391 289      90 288        s-trans-Propenoic acid
  581168.8013  0.1159 -4.7498 3  953.8736183  72503 30391 289      90 388        s-trans-Propenoic acid
  581168.8013  0.1159 -4.7498 3  953.8736183  72503 30391 389      90 288        s-trans-Propenoic acid
  581168.8013  0.1159 -4.3463 3  953.8736183  72503 30391 389      90 388        s-trans-Propenoic acid
  581174.7493  0.1338 -4.3418 3  954.9101185  72503 30392 191      91 190        s-trans-Propenoic acid
  581174.7493  0.1338 -4.7346 3  954.9101185  72503 30392 191      91 290        s-trans-Propenoic acid
  581174.7493  0.1338 -4.7346 3  954.9101185  72503 30392 291      91 190        s-trans-Propenoic acid
  581174.7493  0.1338 -4.3418 3  954.9101185  72503 30392 291      91 290        s-trans-Propenoic acid
  581179.4779  0.1568 -4.3362 3  955.4327187  72503 30393 093      92 092        s-trans-Propenoic acid
  581179.4779  0.1568 -4.7191 3  955.4327187  72503 30393 093      92 192        s-trans-Propenoic acid
  581179.4779  0.1568 -4.7191 3  955.4327187  72503 30393 193      92 092        s-trans-Propenoic acid
  581179.4779  0.1568 -4.3362 3  955.4327187  72503 30393 193      92 192        s-trans-Propenoic acid
  581182.0059  0.0827 -4.3540 3  944.5019175  72503 30387 681      86 680        s-trans-Propenoic acid
  581182.0059  0.0827 -4.8085 3  944.5019175  72503 30387 681      86 780        s-trans-Propenoic acid
  581182.0059  0.0827 -4.8085 3  944.5019175  72503 30387 781      86 680        s-trans-Propenoic acid
  581182.0059  0.0827 -4.3540 3  944.5019175  72503 30387 781      86 780        s-trans-Propenoic acid
  581213.0939  0.0802 -4.3533 3  940.8234173  72503 30386 779      85 778        s-trans-Propenoic acid
  581213.0939  0.0802 -4.8232 3  940.8234173  72503 30386 779      85 878        s-trans-Propenoic acid
  581213.0939  0.0802 -4.8232 3  940.8234173  72503 30386 879      85 778        s-trans-Propenoic acid
  581213.0939  0.0802 -4.3533 3  940.8234173  72503 30386 879      85 878        s-trans-Propenoic acid
  581264.4716  0.4126 -5.6068 3 1127.8545145  72503 303724329      724230        s-trans-Propenoic acid
  581264.4716  0.4126 -5.6068 3 1127.8545145  72503 303724330      724231        s-trans-Propenoic acid
  581266.6730  0.0786 -4.3514 3  936.5949171  72503 30385 877      84 876        s-trans-Propenoic acid
  581266.6730  0.0786 -4.8381 3  936.5949171  72503 30385 877      84 976        s-trans-Propenoic acid
  581266.6730  0.0786 -4.8381 3  936.5949171  72503 30385 977      84 876        s-trans-Propenoic acid
  581266.6730  0.0786 -4.3514 3  936.5949171  72503 30385 977      84 976        s-trans-Propenoic acid
  581304.4638  0.6291 -5.6437 3 1417.8042155  72503 303775225      765224        s-trans-Propenoic acid
  581304.4638  0.6291 -5.6437 3 1417.8042155  72503 303775226      765225        s-trans-Propenoic acid
  581351.6564  0.0775 -4.3483 3  931.8058169  72503 30384 975      83 974        s-trans-Propenoic acid
  581351.6564  0.0775 -4.8534 3  931.8058169  72503 30384 975      831074        s-trans-Propenoic acid
  581351.6564  0.0775 -4.8534 3  931.8058169  72503 303841075      83 974        s-trans-Propenoic acid
  581351.6564  0.0775 -4.3483 3  931.8058169  72503 303841075      831074        s-trans-Propenoic acid
  581352.3408  0.0104 -5.1126 3  357.4861 93  72503 303461333      451134        s-trans-Propenoic acid
  581480.0552  0.0764 -4.3440 3  926.4432167  72503 303831073      821072        s-trans-Propenoic acid
  581480.0552  0.0764 -4.8695 3  926.4432167  72503 303831073      821172        s-trans-Propenoic acid
  581480.0552  0.0764 -4.8695 3  926.4432167  72503 303831173      821072        s-trans-Propenoic acid
  581480.0552  0.0764 -4.3440 3  926.4432167  72503 303831173      821172        s-trans-Propenoic acid
  581493.7666  0.2276 -4.7082 3 1046.4927153  72503 303763442      753441        s-trans-Propenoic acid
  581493.7666  0.2276 -4.7082 3 1046.4927153  72503 303763443      753442        s-trans-Propenoic acid
  581586.4378  0.6033 -5.5805 3 1394.2513155  72503 303775126      765125        s-trans-Propenoic acid
  581586.4378  0.6033 -5.5805 3 1394.2513155  72503 303775127      765126        s-trans-Propenoic acid
  581618.9011  0.4009 -5.5815 3 1109.6408143  72503 303714328      714229        s-trans-Propenoic acid
  581618.9011  0.4009 -5.5815 3 1109.6408143  72503 303714329      714230        s-trans-Propenoic acid
  581668.4325  0.0753 -4.3384 3  920.4909165  72503 303821171      811170        s-trans-Propenoic acid
  581668.4325  0.0753 -4.8866 3  920.4909165  72503 303821171      811270        s-trans-Propenoic acid
  581668.4325  0.0753 -4.8866 3  920.4909165  72503 303821271      811170        s-trans-Propenoic acid
  581668.4325  0.0753 -4.3384 3  920.4909165  72503 303821271      811270        s-trans-Propenoic acid
  581692.1197  0.0619 -4.3032 3  872.1501149  72503 303742352      732351        s-trans-Propenoic acid
  581811.3896  0.0669 -4.2414 3  851.1826151  72503 303751758      741757        s-trans-Propenoic acid
  581814.9515  0.0522 -4.2249 3  840.0611149  72503 303741956      731955        s-trans-Propenoic acid
  581878.8506  0.5780 -5.5190 3 1371.1629155  72503 303775027      765026        s-trans-Propenoic acid
  581878.8506  0.5780 -5.5190 3 1371.1629155  72503 303775028      765027        s-trans-Propenoic acid
  581940.2901  0.0740 -4.9052 3  913.9288163  72503 303811269      801368        s-trans-Propenoic acid
  581940.2905  0.0740 -4.3315 3  913.9288163  72503 303811369      801368        s-trans-Propenoic acid
  581940.2909  0.0740 -4.3315 3  913.9288163  72503 303811269      801268        s-trans-Propenoic acid
  581940.2913  0.0740 -4.9052 3  913.9288163  72503 303811369      801268        s-trans-Propenoic acid
  581960.2127  0.3902 -5.5573 3 1091.6848141  72503 303704327      704228        s-trans-Propenoic acid
  581960.2127  0.3902 -5.5573 3 1091.6848141  72503 303704328      704229        s-trans-Propenoic acid
  582163.4372  0.0415 -3.9965 3  321.8626 69  72503 303342410      332311        s-trans-Propenoic acid
  582163.4372  0.0415 -3.9965 3  321.8626 69  72503 303342411      332310        s-trans-Propenoic acid
  582167.6066  0.0608 -4.3026 3  872.1723149  72503 303742351      732350        s-trans-Propenoic acid
  582182.7446  0.5532 -5.4591 3 1348.5399155  72503 303774928      764927        s-trans-Propenoic acid
  582182.7446  0.5532 -5.4591 3 1348.5399155  72503 303774929      764928        s-trans-Propenoic acid
  582288.4221  0.2110 -4.6696 3 1031.5000153  72503 303763343      753342        s-trans-Propenoic acid
  582288.4221  0.2110 -4.6696 3 1031.5000153  72503 303763344      753343        s-trans-Propenoic acid
  582288.7828  0.3804 -5.5341 3 1073.9861139  72503 303694326      694227        s-trans-Propenoic acid
  582288.7828  0.3804 -5.5341 3 1073.9861139  72503 303694327      694228        s-trans-Propenoic acid
  582330.2063  0.0726 -4.9260 3  906.7307161  72503 303801367      791466        s-trans-Propenoic acid
  582330.2176  0.0726 -4.3230 3  906.7307161  72503 303801467      791466        s-trans-Propenoic acid
  582330.2277  0.0726 -4.3230 3  906.7307161  72503 303801367      791366        s-trans-Propenoic acid
  582330.2390  0.0726 -4.9260 3  906.7307161  72503 303801467      791366        s-trans-Propenoic acid
  582499.2806  0.5288 -5.4007 3 1326.3831155  72503 303774829      764828        s-trans-Propenoic acid
  582499.2806  0.5288 -5.4007 3 1326.3831155  72503 303774830      764829        s-trans-Propenoic acid
  582502.3556  0.0178 -4.3563 3  405.5273 97  72503 303481732      471631        s-trans-Propenoic acid
  582604.9791  0.3715 -5.5120 3 1056.5448137  72503 303684325      684226        s-trans-Propenoic acid
  582604.9791  0.3715 -5.5120 3 1056.5448137  72503 303684326      684227        s-trans-Propenoic acid
  582688.0991  0.0067 -5.3690 3  247.5939 73  72503 303361324      351125        s-trans-Propenoic acid
  582829.7548  0.5050 -5.3438 3 1304.6933155  72503 303774730      764729        s-trans-Propenoic acid
  582829.7548  0.5050 -5.3438 3 1304.6933155  72503 303774731      764730        s-trans-Propenoic acid
  582868.6189  0.0176 -4.3558 3  405.5171 97  72503 303481731      471632        s-trans-Propenoic acid
  582880.0842  0.1013 -4.4106 3  921.7363151  72503 303752650      742649        s-trans-Propenoic acid
  582881.9093  0.1013 -4.4106 3  921.7364151  72503 303752649      742648        s-trans-Propenoic acid
  582891.2990  0.0710 -4.9499 3  898.8623159  72503 303791465      781564        s-trans-Propenoic acid
  582891.5703  0.0710 -4.3128 3  898.8623159  72503 303791565      781564        s-trans-Propenoic acid
  582891.7969  0.0710 -4.3128 3  898.8623159  72503 303791465      781464        s-trans-Propenoic acid
  582892.0683  0.0710 -4.9499 3  898.8623159  72503 303791565      781464        s-trans-Propenoic acid
  582909.1608  0.3634 -5.4910 3 1039.3605135  72503 303674324      674225        s-trans-Propenoic acid
  582909.1608  0.3634 -5.4910 3 1039.3605135  72503 303674325      674226        s-trans-Propenoic acid
  583107.3806  0.2738 -5.4845 3  955.8102159  72503 303792059      782158        s-trans-Propenoic acid
  583163.2627  0.1947 -4.6321 3 1017.0113153  72503 303763244      753243        s-trans-Propenoic acid
  583163.2627  0.1947 -4.6321 3 1017.0113153  72503 303763245      753244        s-trans-Propenoic acid
  583175.6188  0.4816 -5.2884 3 1283.4717155  72503 303774631      764630        s-trans-Propenoic acid
  583175.6188  0.4816 -5.2884 3 1283.4717155  72503 303774632      764631        s-trans-Propenoic acid
  583194.1337  0.0065 -5.0146 3  267.4383 79  72503 303391129      38 830        s-trans-Propenoic acid
  583197.5303  0.0340 -4.1237 3  785.9561143  72503 303711952      701951        s-trans-Propenoic acid
  583201.6786  0.3561 -5.4713 3 1022.4330133  72503 303664323      664224        s-trans-Propenoic acid
  583201.6786  0.3561 -5.4713 3 1022.4330133  72503 303664324      664225        s-trans-Propenoic acid
  583288.9217  0.0350 -4.0283 3  328.9915 73  72503 303362313      352214        s-trans-Propenoic acid
  583288.9217  0.0350 -4.0283 3  328.9915 73  72503 303362314      352213        s-trans-Propenoic acid
  583482.8752  0.3496 -5.4527 3 1005.7622131  72503 303654322      654223        s-trans-Propenoic acid
  583482.8752  0.3496 -5.4527 3 1005.7622131  72503 303654323      654224        s-trans-Propenoic acid
  583538.5039  0.4587 -5.2344 3 1262.7193155  72503 303774532      764531        s-trans-Propenoic acid
  583538.5039  0.4587 -5.2344 3 1262.7193155  72503 303774533      764532        s-trans-Propenoic acid
  583604.5831  0.1634 -4.9990 3  719.8491137  72503 303681851      671750        s-trans-Propenoic acid
  583614.5305  0.0818 -5.0501 3  851.1826151  72503 303751858      741757        s-trans-Propenoic acid
  583705.6213  0.0694 -4.9784 3  890.2757157  72503 303781563      771662        s-trans-Propenoic acid
  583711.0118  0.0694 -4.3007 3  890.2757157  72503 303781663      771662        s-trans-Propenoic acid
  583715.1935  0.0695 -4.3007 3  890.2754157  72503 303781563      771562        s-trans-Propenoic acid
  583720.5840  0.0695 -4.9784 3  890.2754157  72503 303781663      771562        s-trans-Propenoic acid
  583753.0856  0.3438 -5.4354 3  989.3479129  72503 303644321      644222        s-trans-Propenoic acid
  583753.0856  0.3438 -5.4354 3  989.3479129  72503 303644322      644223        s-trans-Propenoic acid
  583793.3720  0.0168 -4.9455 3  313.9645 87  72503 303431132      421033        s-trans-Propenoic acid
  583920.2501  0.4362 -5.1818 3 1242.4373155  72503 303774433      764432        s-trans-Propenoic acid
  583920.2501  0.4362 -5.1818 3 1242.4373155  72503 303774434      764433        s-trans-Propenoic acid
  584012.6370  0.3386 -5.4196 3  973.1899127  72503 303634320      634221        s-trans-Propenoic acid
  584012.6370  0.3386 -5.4196 3  973.1899127  72503 303634321      634222        s-trans-Propenoic acid
  584132.5718  0.1788 -4.5959 3 1003.0334153  72503 303763145      753144        s-trans-Propenoic acid
  584132.5718  0.1788 -4.5959 3 1003.0334153  72503 303763146      753145        s-trans-Propenoic acid
  584261.8495  0.3341 -5.4051 3  957.2881125  72503 303624319      624220        s-trans-Propenoic acid
  584261.8495  0.3341 -5.4051 3  957.2881125  72503 303624320      624221        s-trans-Propenoic acid
  584307.8597  0.0295 -4.0642 3  337.6623 77  72503 303382216      372117        s-trans-Propenoic acid
  584307.8597  0.0295 -4.0642 3  337.6623 77  72503 303382217      372116        s-trans-Propenoic acid
  584322.9406  0.4142 -5.1306 3 1222.6270155  72503 303774334      764333        s-trans-Propenoic acid
  584322.9406  0.4142 -5.1306 3 1222.6270155  72503 303774335      764334        s-trans-Propenoic acid
  584501.0359  0.3301 -5.3922 3  941.6421123  72503 303614318      614219        s-trans-Propenoic acid
  584501.0359  0.3301 -5.3922 3  941.6421123  72503 303614319      614220        s-trans-Propenoic acid
  584730.5022  0.3266 -5.3810 3  926.2520121  72503 303604317      604218        s-trans-Propenoic acid
  584730.5022  0.3266 -5.3810 3  926.2520121  72503 303604318      604219        s-trans-Propenoic acid
  584748.9438  0.3927 -5.0808 3 1203.2901155  72503 303774235      764234        s-trans-Propenoic acid
  584748.9438  0.3927 -5.0808 3 1203.2901155  72503 303774236      764235        s-trans-Propenoic acid
  584782.4198  0.0522 -4.2764 3  863.3637149  72503 303742253      732252        s-trans-Propenoic acid
  584838.9019  0.0669 -5.0146 3  880.9025155  72503 303771661      761760        s-trans-Propenoic acid
  584868.3994  0.0123 -4.9960 3  287.6063 83  72503 303411031      40 932        s-trans-Propenoic acid
  584925.9764  0.0679 -4.2862 3  880.9025155  72503 303771761      761760        s-trans-Propenoic acid
  584950.5474  0.3236 -5.3716 3  911.1175119  72503 303594316      594217        s-trans-Propenoic acid
  584950.5474  0.3236 -5.3716 3  911.1175119  72503 303594317      594218        s-trans-Propenoic acid
  584972.7846  0.0882 -4.3808 3  911.0263151  72503 303752551      742550        s-trans-Propenoic acid
  584987.6082  0.0684 -4.2861 3  880.8975155  72503 303771661      761660        s-trans-Propenoic acid
  584988.8040  0.0881 -4.3807 3  911.0269151  72503 303752550      742549        s-trans-Propenoic acid
  585018.1383  0.0178 -4.2725 3  388.4498 93  72503 303461829      451728        s-trans-Propenoic acid
  585027.0154  0.0178 -4.2725 3  388.4496 93  72503 303461828      451729        s-trans-Propenoic acid
  585048.1716  0.1240 -5.3098 3  907.0173155  72503 303771958      762057        s-trans-Propenoic acid
  585074.6827  0.0694 -5.0143 3  880.8975155  72503 303771761      761660        s-trans-Propenoic acid
  585151.1218  0.0249 -4.1049 3  347.8999 81  72503 303402119      392020        s-trans-Propenoic acid
  585151.1218  0.0249 -4.1049 3  347.8999 81  72503 303402120      392019        s-trans-Propenoic acid
  585154.9666  0.0724 -4.1823 3  819.7752147  72503 303731855      721854        s-trans-Propenoic acid
  585161.4641  0.3210 -5.3642 3  896.2384117  72503 303584315      584216        s-trans-Propenoic acid
  585161.4641  0.3210 -5.3642 3  896.2384117  72503 303584316      584217        s-trans-Propenoic acid
  585200.9649  0.3717 -5.0323 3 1184.4280155  72503 303774136      764135        s-trans-Propenoic acid
  585200.9649  0.3717 -5.0323 3 1184.4280155  72503 303774137      764136        s-trans-Propenoic acid
  585214.4682  0.1633 -4.5608 3  989.5745153  72503 303763047      753046        s-trans-Propenoic acid
  585214.4684  0.1633 -4.5608 3  989.5745153  72503 303763046      753045        s-trans-Propenoic acid
  585363.5385  0.3188 -5.3589 3  881.6146115  72503 303574314      574215        s-trans-Propenoic acid
  585363.5385  0.3188 -5.3589 3  881.6146115  72503 303574315      574216        s-trans-Propenoic acid
  585523.3537  0.0558 -5.0664 3  870.6498153  72503 303761759      751858        s-trans-Propenoic acid
  585557.0502  0.3170 -5.3560 3  867.2459113  72503 303564313      564214        s-trans-Propenoic acid
  585557.0502  0.3170 -5.3560 3  867.2459113  72503 303564314      564215        s-trans-Propenoic acid
  585682.1096  0.3511 -4.9851 3 1166.0429155  72503 303774037      764036        s-trans-Propenoic acid
  585682.1096  0.3511 -4.9851 3 1166.0429155  72503 303774038      764037        s-trans-Propenoic acid
  585706.0637  0.0214 -4.1518 3  359.7393 85  72503 303422023      411922        s-trans-Propenoic acid
  585706.0649  0.0214 -4.1518 3  359.7393 85  72503 303422022      411923        s-trans-Propenoic acid
  585742.2731  0.3155 -5.3557 3  853.1322111  72503 303554312      554213        s-trans-Propenoic acid
  585742.2731  0.3155 -5.3557 3  853.1322111  72503 303554313      554214        s-trans-Propenoic acid
  585780.7354  0.0190 -4.2066 3  373.2306 89  72503 303441926      431825        s-trans-Propenoic acid
  585780.8646  0.0190 -4.2066 3  373.2306 89  72503 303441925      431826        s-trans-Propenoic acid
  585872.9756  0.0504 -4.2215 3  836.4311147  72503 303732152      722151        s-trans-Propenoic acid
  585919.4748  0.3143 -5.3585 3  839.2733109  72503 303544311      544212        s-trans-Propenoic acid
  585919.4748  0.3143 -5.3585 3  839.2733109  72503 303544312      544213        s-trans-Propenoic acid
  586038.8922  0.0654 -3.9242 3  316.6218 59  72503 3032927 2      2826 3        s-trans-Propenoic acid
  586038.8922  0.0654 -3.9242 3  316.6218 59  72503 3032927 3      2826 2        s-trans-Propenoic acid
  586088.9170  0.3133 -5.3647 3  825.6690107  72503 303534310      534211        s-trans-Propenoic acid
  586088.9170  0.3133 -5.3647 3  825.6690107  72503 303534311      534212        s-trans-Propenoic acid
  586191.2627  0.0080 -5.5466 3  209.6287 63  72503 303311417      301218        s-trans-Propenoic acid
  586195.9628  0.3310 -4.9392 3 1148.1367155  72503 303773938      763937        s-trans-Propenoic acid
  586195.9628  0.3310 -4.9392 3 1148.1367155  72503 303773939      763938        s-trans-Propenoic acid
  586212.7814  0.0119 -5.3352 3  287.5615 83  72503 303411031      40 832        s-trans-Propenoic acid
  586219.2348  0.0080 -5.5466 3  209.6277 63  72503 303311418      301219        s-trans-Propenoic acid
  586250.8557  0.3126 -5.3750 3  812.3193105  72503 3035243 9      524210        s-trans-Propenoic acid
  586250.8557  0.3126 -5.3750 3  812.3193105  72503 303524310      524211        s-trans-Propenoic acid
  586258.9671  0.0507 -4.1687 3  810.5733145  72503 303722052      712051        s-trans-Propenoic acid
  586322.8880  0.0466 -4.2354 3  847.6359149  72503 303742055      732054        s-trans-Propenoic acid
  586405.5413  0.3120 -5.3900 3  799.2239103  72503 3035143 8      5142 9        s-trans-Propenoic acid
  586405.5413  0.3120 -5.3900 3  799.2239103  72503 3035143 9      514210        s-trans-Propenoic acid
  586432.4498  0.1482 -4.5269 3  976.6449153  72503 303762948      752947        s-trans-Propenoic acid
  586432.4526  0.1482 -4.5269 3  976.6449153  72503 303762947      752946        s-trans-Propenoic acid
  586553.2185  0.3117 -5.4109 3  786.3828101  72503 3035043 7      5042 8        s-trans-Propenoic acid
  586553.2185  0.3117 -5.4109 3  786.3828101  72503 3035043 8      5042 9        s-trans-Propenoic acid
  586633.2724  0.0655 -4.2691 3  870.6498153  72503 303761859      751858        s-trans-Propenoic acid
  586694.1265  0.3115 -5.4390 3  773.7957 99  72503 3034943 6      4942 7        s-trans-Propenoic acid
  586694.1265  0.3115 -5.4390 3  773.7957 99  72503 3034943 7      4942 8        s-trans-Propenoic acid
  586746.6883  0.3114 -4.8946 3 1130.7119155  72503 303773839      763838        s-trans-Propenoic acid
  586746.6883  0.3114 -4.8946 3 1130.7119155  72503 303773840      763839        s-trans-Propenoic acid
  586828.4994  0.3114 -5.4764 3  761.4626 97  72503 3034843 5      4842 6        s-trans-Propenoic acid
  586828.4994  0.3114 -5.4764 3  761.4626 97  72503 3034843 6      4842 7        s-trans-Propenoic acid
  586956.5656  0.3115 -5.5265 3  749.3833 95  72503 3034743 4      4742 5        s-trans-Propenoic acid
  586956.5656  0.3115 -5.5265 3  749.3833 95  72503 3034743 5      4742 6        s-trans-Propenoic acid
  586992.9456  0.0462 -4.2528 3  855.2615149  72503 303742154      732153        s-trans-Propenoic acid
  587078.5486  0.3116 -5.5947 3  737.5577 93  72503 3034643 3      4642 4        s-trans-Propenoic acid
  587078.5486  0.3116 -5.5947 3  737.5577 93  72503 3034643 4      4642 5        s-trans-Propenoic acid
  587194.6664  0.3119 -5.6913 3  725.9856 91  72503 3034543 2      4542 3        s-trans-Propenoic acid
  587194.6664  0.3119 -5.6913 3  725.9856 91  72503 3034543 3      4542 4        s-trans-Propenoic acid
  587276.3082  0.0565 -3.9479 3  319.7310 63  72503 3033126 5      3025 6        s-trans-Propenoic acid
  587276.3082  0.0565 -3.9479 3  319.7310 63  72503 3033126 6      3025 5        s-trans-Propenoic acid
  587326.4946  0.0702 -4.2679 3  870.5897153  72503 303761759      751758        s-trans-Propenoic acid
  587339.1558  0.2921 -4.8512 3 1113.7713155  72503 303773740      763739        s-trans-Propenoic acid
  587339.1558  0.2921 -4.8512 3 1113.7713155  72503 303773741      763740        s-trans-Propenoic acid
  587350.9824  0.0994 -4.3787 3  969.6286181  72503 30390 486      89 485        s-trans-Propenoic acid
  587350.9824  0.0994 -4.8052 3  969.6286181  72503 30390 486      89 585        s-trans-Propenoic acid
  587350.9824  0.0994 -4.8052 3  969.6286181  72503 30390 586      89 485        s-trans-Propenoic acid
  587350.9824  0.0994 -4.3787 3  969.6286181  72503 30390 586      89 585        s-trans-Propenoic acid
  587353.1903  0.1095 -4.3763 3  971.7050183  72503 30391 388      90 387        s-trans-Propenoic acid
  587353.1903  0.1095 -4.7908 3  971.7050183  72503 30391 388      90 487        s-trans-Propenoic acid
  587353.1903  0.1095 -4.7908 3  971.7050183  72503 30391 488      90 387        s-trans-Propenoic acid
  587353.1903  0.1095 -4.3763 3  971.7050183  72503 30391 488      90 487        s-trans-Propenoic acid
  587355.0155  0.0926 -4.3801 3  967.0250179  72503 30389 584      88 583        s-trans-Propenoic acid
  587355.0155  0.0926 -4.8195 3  967.0250179  72503 30389 584      88 683        s-trans-Propenoic acid
  587355.0155  0.0926 -4.8195 3  967.0250179  72503 30389 684      88 583        s-trans-Propenoic acid
  587355.0155  0.0926 -4.3801 3  967.0250179  72503 30389 684      88 683        s-trans-Propenoic acid
  587358.5514  0.1236 -4.3729 3  973.2593185  72503 30392 290      91 289        s-trans-Propenoic acid
  587358.5514  0.1236 -4.7761 3  973.2593185  72503 30392 290      91 389        s-trans-Propenoic acid
  587358.5514  0.1236 -4.7761 3  973.2593185  72503 30392 390      91 289        s-trans-Propenoic acid
  587358.5514  0.1236 -4.3729 3  973.2593185  72503 30392 390      91 389        s-trans-Propenoic acid
  587364.5968  0.1425 -4.3684 3  974.2960187  72503 30393 192      92 191        s-trans-Propenoic acid
  587364.5968  0.1425 -4.7611 3  974.2960187  72503 30393 192      92 291        s-trans-Propenoic acid
  587364.5968  0.1425 -4.7611 3  974.2960187  72503 30393 292      92 191        s-trans-Propenoic acid
  587364.5968  0.1425 -4.3684 3  974.2960187  72503 30393 292      92 291        s-trans-Propenoic acid
  587369.1928  0.0882 -4.3803 3  963.8881177  72503 30388 682      87 681        s-trans-Propenoic acid
  587369.1928  0.0882 -4.8338 3  963.8881177  72503 30388 682      87 781        s-trans-Propenoic acid
  587369.1928  0.0882 -4.8338 3  963.8881177  72503 30388 782      87 681        s-trans-Propenoic acid
  587369.1928  0.0882 -4.3803 3  963.8881177  72503 30388 782      87 781        s-trans-Propenoic acid
  587369.3333  0.1666 -4.3630 3  974.8187189  72503 30394 094      93 093        s-trans-Propenoic acid
  587369.3333  0.1666 -4.7458 3  974.8187189  72503 30394 094      93 193        s-trans-Propenoic acid
  587369.3333  0.1666 -4.7458 3  974.8187189  72503 30394 194      93 093        s-trans-Propenoic acid
  587369.3333  0.1666 -4.3630 3  974.8187189  72503 30394 194      93 193        s-trans-Propenoic acid
  587392.5979  0.0508 -4.2729 3  863.5057149  72503 303742252      732251        s-trans-Propenoic acid
  587398.5059  0.0855 -4.3795 3  960.2106175  72503 30387 780      86 779        s-trans-Propenoic acid
  587398.5059  0.0855 -4.8481 3  960.2106175  72503 30387 780      86 879        s-trans-Propenoic acid
  587398.5059  0.0855 -4.8481 3  960.2106175  72503 30387 880      86 779        s-trans-Propenoic acid
  587398.5059  0.0855 -4.3795 3  960.2106175  72503 30387 880      86 879        s-trans-Propenoic acid
  587440.0101  0.0306 -5.1616 3  879.0854153  72503 303761858      751957        s-trans-Propenoic acid
  587449.4246  0.0838 -4.3775 3  955.9839173  72503 30386 878      85 877        s-trans-Propenoic acid
  587449.4246  0.0838 -4.8626 3  955.9839173  72503 30386 878      85 977        s-trans-Propenoic acid
  587449.4246  0.0838 -4.8626 3  955.9839173  72503 30386 978      85 877        s-trans-Propenoic acid
  587449.4246  0.0838 -4.3775 3  955.9839173  72503 30386 978      85 977        s-trans-Propenoic acid
  587481.0492  0.0155 -5.2697 3  313.8415 87  72503 303431132      42 933        s-trans-Propenoic acid
  587495.5771  0.0754 -4.3518 3  900.9501151  72503 303752452      742451        s-trans-Propenoic acid
  587530.4651  0.0825 -4.3744 3  951.1976171  72503 30385 976      84 975        s-trans-Propenoic acid
  587530.4651  0.0825 -4.8776 3  951.1976171  72503 30385 976      841075        s-trans-Propenoic acid
  587530.4651  0.0825 -4.8776 3  951.1976171  72503 303851076      84 975        s-trans-Propenoic acid
  587530.4651  0.0825 -4.3744 3  951.1976171  72503 303851076      841075        s-trans-Propenoic acid
  587617.5556  0.0750 -4.3516 3  900.9554151  72503 303752451      742450        s-trans-Propenoic acid
  587653.0437  0.0814 -4.3701 3  945.8393169  72503 303841074      831073        s-trans-Propenoic acid
  587653.0437  0.0814 -4.8932 3  945.8393169  72503 303841074      831173        s-trans-Propenoic acid
  587653.0437  0.0814 -4.8932 3  945.8393169  72503 303841174      831073        s-trans-Propenoic acid
  587653.0437  0.0814 -4.3701 3  945.8393169  72503 303841174      831173        s-trans-Propenoic acid
  587817.8303  0.1334 -4.4940 3  964.2574153  72503 303762849      752848        s-trans-Propenoic acid
  587817.8638  0.1334 -4.4940 3  964.2574153  72503 303762848      752847        s-trans-Propenoic acid
  587832.8070  0.0803 -4.3644 3  939.8933167  72503 303831172      821171        s-trans-Propenoic acid
  587832.8070  0.0803 -4.9097 3  939.8933167  72503 303831172      821271        s-trans-Propenoic acid
  587832.8070  0.0803 -4.9097 3  939.8933167  72503 303831272      821171        s-trans-Propenoic acid
  587832.8070  0.0803 -4.3644 3  939.8933167  72503 303831272      821271        s-trans-Propenoic acid
  587979.1041  0.2734 -4.8091 3 1097.3180155  72503 303773641      763640        s-trans-Propenoic acid
  587979.1041  0.2734 -4.8091 3 1097.3180155  72503 303773642      763641        s-trans-Propenoic acid
  588068.9115  0.0069 -5.3454 3  257.0192 75  72503 303371325      361126        s-trans-Propenoic acid
  588091.7918  0.0790 -4.9276 3  933.3402165  72503 303821270      811369        s-trans-Propenoic acid
  588091.7920  0.0790 -4.3574 3  933.3402165  72503 303821370      811369        s-trans-Propenoic acid
  588091.7922  0.0790 -4.3574 3  933.3402165  72503 303821270      811269        s-trans-Propenoic acid
  588091.7924  0.0790 -4.9276 3  933.3402165  72503 303821370      811269        s-trans-Propenoic acid
  588104.2992  0.0584 -4.2502 3  859.4683151  72503 303751957      741956        s-trans-Propenoic acid
  588436.4133  0.0803 -5.0618 3  870.5897153  72503 303761859      751758        s-trans-Propenoic acid
  588462.1252  0.0776 -4.9475 3  926.1552163  72503 303811368      801467        s-trans-Propenoic acid
  588462.1312  0.0776 -4.3489 3  926.1552163  72503 303811468      801467        s-trans-Propenoic acid
  588462.1365  0.0776 -4.3489 3  926.1552163  72503 303811368      801367        s-trans-Propenoic acid
  588462.1425  0.0776 -4.9475 3  926.1552163  72503 303811468      801367        s-trans-Propenoic acid
  588491.5179  0.0485 -3.9742 3  324.3423 67  72503 3033325 8      3224 9        s-trans-Propenoic acid
  588491.5179  0.0485 -3.9742 3  324.3423 67  72503 3033325 9      3224 8        s-trans-Propenoic acid
  588673.3566  0.2551 -4.7683 3 1081.3559155  72503 303773542      763541        s-trans-Propenoic acid
  588673.3566  0.2551 -4.7683 3 1081.3559155  72503 303773543      763542        s-trans-Propenoic acid
  588717.0460  0.0196 -4.3793 3  418.0465 99  72503 303491733      481632        s-trans-Propenoic acid
  588751.3680  0.0181 -4.5038 3  437.7333103  72503 303511635      501536        s-trans-Propenoic acid
  588878.4749  0.0171 -5.1945 3  341.2674 91  72503 303451233      441034        s-trans-Propenoic acid
  588948.9009  0.6569 -5.6582 3 1437.1944157  72503 303785226      775225        s-trans-Propenoic acid
  588948.9009  0.6569 -5.6582 3 1437.1944157  72503 303785227      775226        s-trans-Propenoic acid
  588992.6734  0.0760 -4.9702 3  918.3055161  72503 303801466      791565        s-trans-Propenoic acid
  588992.8206  0.0760 -4.3388 3  918.3055161  72503 303801566      791565        s-trans-Propenoic acid
  588992.9448  0.0760 -4.3388 3  918.3055161  72503 303801466      791465        s-trans-Propenoic acid
  588993.0920  0.0760 -4.9702 3  918.3055161  72503 303801566      791465        s-trans-Propenoic acid
  589141.4553  0.0782 -4.2117 3  839.2939149  72503 303741856      731855        s-trans-Propenoic acid
  589239.8652  0.6299 -5.5957 3 1413.6509157  72503 303785127      775126        s-trans-Propenoic acid
  589239.8652  0.6299 -5.5957 3 1413.6509157  72503 303785128      775127        s-trans-Propenoic acid
  589389.5428  0.0060 -5.6384 3  190.9259 69  72503 30334 430      33 331        s-trans-Propenoic acid
  589391.5518  0.0060 -5.6384 3  190.9259 69  72503 30334 530      33 231        s-trans-Propenoic acid
  589398.1346  0.0193 -4.3784 3  418.0278 99  72503 303491732      481633        s-trans-Propenoic acid
  589413.7338  0.1189 -4.4623 3  952.4283153  72503 303762750      752749        s-trans-Propenoic acid
  589414.0927  0.1189 -4.4623 3  952.4283153  72503 303762749      752748        s-trans-Propenoic acid
  589430.1066  0.2372 -4.7286 3 1065.8892155  72503 303773443      763442        s-trans-Propenoic acid
  589430.1066  0.2372 -4.7286 3 1065.8892155  72503 303773444      763443        s-trans-Propenoic acid
  589541.7476  0.6035 -5.5348 3 1390.5723157  72503 303785028      775027        s-trans-Propenoic acid
  589541.7476  0.6035 -5.5348 3 1390.5723157  72503 303785029      775028        s-trans-Propenoic acid
  589664.8317  0.0413 -4.0035 3  330.4669 71  72503 303352411      342312        s-trans-Propenoic acid
  589664.8317  0.0413 -4.0035 3  330.4669 71  72503 303352412      342311        s-trans-Propenoic acid
  589759.5897  0.0743 -4.9972 3  909.7462159  72503 303791564      781663        s-trans-Propenoic acid
  589762.6073  0.0744 -4.3267 3  909.7462159  72503 303791664      781663        s-trans-Propenoic acid
  589764.9803  0.0744 -4.3267 3  909.7460159  72503 303791564      781563        s-trans-Propenoic acid
  589767.9978  0.0744 -4.9972 3  909.7460159  72503 303791664      781563        s-trans-Propenoic acid
  589855.6363  0.5775 -5.4754 3 1367.9594157  72503 303784929      774928        s-trans-Propenoic acid
  589855.6363  0.5775 -5.4754 3 1367.9594157  72503 303784930      774929        s-trans-Propenoic acid
  590064.4477  0.0174 -4.6262 3  432.0411103  72503 303511536      501437        s-trans-Propenoic acid
  590182.7439  0.5520 -5.4175 3 1345.8131157  72503 303784830      774829        s-trans-Propenoic acid
  590182.7439  0.5520 -5.4175 3 1345.8131157  72503 303784831      774830        s-trans-Propenoic acid
  590259.3077  0.2197 -4.6902 3 1050.9231155  72503 303773344      763343        s-trans-Propenoic acid
  590259.3077  0.2197 -4.6902 3 1050.9231155  72503 303773345      763344        s-trans-Propenoic acid
  590343.7616  0.1019 -4.8180 3  576.7484121  72503 303601744      591643        s-trans-Propenoic acid
  590483.5486  0.0636 -4.3238 3  891.5533151  72503 303752353      742352        s-trans-Propenoic acid
  590524.4245  0.5271 -5.3611 3 1324.1344157  72503 303784731      774730        s-trans-Propenoic acid
  590524.4245  0.5271 -5.3611 3 1324.1344157  72503 303784732      774731        s-trans-Propenoic acid
  590765.4748  0.0350 -4.0364 3  338.1196 75  72503 303372314      362215        s-trans-Propenoic acid
  590765.4748  0.0350 -4.0364 3  338.1196 75  72503 303372315      362214        s-trans-Propenoic acid
  590848.5302  0.0722 -5.0310 3  900.4135157  72503 303781662      771761        s-trans-Propenoic acid
  590882.1960  0.5026 -5.3061 3 1302.9243157  72503 303784632      774631        s-trans-Propenoic acid
  590882.1960  0.5026 -5.3061 3 1302.9243157  72503 303784633      774632        s-trans-Propenoic acid
  590899.1265  0.0728 -4.3125 3  900.4135157  72503 303781762      771761        s-trans-Propenoic acid
  590935.6047  0.0731 -4.3124 3  900.4106157  72503 303781662      771661        s-trans-Propenoic acid
  590986.2010  0.0737 -5.0308 3  900.4106157  72503 303781762      771661        s-trans-Propenoic acid
  591173.2153  0.2027 -4.6530 3 1036.4636155  72503 303773245      763244        s-trans-Propenoic acid
  591173.2153  0.2027 -4.6530 3 1036.4636155  72503 303773246      763245        s-trans-Propenoic acid
  591257.7649  0.4787 -5.2525 3 1282.1840157  72503 303784533      774532        s-trans-Propenoic acid
  591257.7649  0.4787 -5.2525 3 1282.1840157  72503 303784534      774533        s-trans-Propenoic acid
  591266.5312  0.0619 -4.3228 3  891.5913151  72503 303752352      742351        s-trans-Propenoic acid
  591281.5202  0.1047 -4.4316 3  941.1791153  72503 303762651      752650        s-trans-Propenoic acid
  591284.9495  0.1047 -4.4316 3  941.1792153  72503 303762650      752649        s-trans-Propenoic acid
  591296.4500  0.0357 -4.1459 3  805.4095145  72503 303721953      711952        s-trans-Propenoic acid
  591498.0669  0.0063 -5.1037 3  247.7081 77  72503 30338 830      37 731        s-trans-Propenoic acid
  591569.4967  0.0063 -5.4720 3  247.7057 77  72503 30338 830      37 631        s-trans-Propenoic acid
  591653.0572  0.4552 -5.2003 3 1261.9147157  72503 303784434      774433        s-trans-Propenoic acid
  591653.0572  0.4552 -5.2003 3 1261.9147157  72503 303784435      774434        s-trans-Propenoic acid
  591730.2880  0.1713 -4.9867 3  701.6713135  72503 303671850      661749        s-trans-Propenoic acid
  591745.2479  0.0296 -4.0735 3  347.3201 79  72503 303392217      382118        s-trans-Propenoic acid
  591745.2479  0.0296 -4.0735 3  347.3201 79  72503 303392218      382117        s-trans-Propenoic acid
  591845.3087  0.0068 -5.2818 3  282.3187 81  72503 303401229      391030        s-trans-Propenoic acid
  591859.4944  0.0642 -5.0778 3  890.2178155  72503 303771760      761859        s-trans-Propenoic acid
  591883.9285  0.0192 -4.2903 3  400.3424 95  72503 303471830      461729        s-trans-Propenoic acid
  591902.3165  0.0192 -4.2903 3  400.3419 95  72503 303471829      461730        s-trans-Propenoic acid
  592070.2551  0.4322 -5.1494 3 1242.1179157  72503 303784335      774334        s-trans-Propenoic acid
  592070.2551  0.4322 -5.1494 3 1242.1179157  72503 303784336      774335        s-trans-Propenoic acid
  592187.1621  0.1860 -4.6169 3 1022.5180155  72503 303773147      763146        s-trans-Propenoic acid
  592187.1622  0.1860 -4.6169 3 1022.5180155  72503 303773146      763145        s-trans-Propenoic acid
  592315.0043  0.0079 -5.5138 3  217.6264 65  72503 303321418      311219        s-trans-Propenoic acid
  592321.8235  0.0747 -3.9074 3  321.8069 57  72503 3032828 0      2727 1        s-trans-Propenoic acid
  592321.8235  0.0747 -3.9074 3  321.8069 57  72503 3032828 1      2727 0        s-trans-Propenoic acid
  592375.2664  0.0079 -5.5137 3  217.6244 65  72503 303321419      311220        s-trans-Propenoic acid
  592511.8420  0.4097 -5.0999 3 1222.7952157  72503 303784236      774235        s-trans-Propenoic acid
  592511.8420  0.4097 -5.0999 3 1222.7952157  72503 303784237      774236        s-trans-Propenoic acid
  592527.5945  0.0253 -4.1157 3  358.0954 83  72503 303412120      402021        s-trans-Propenoic acid
  592527.5945  0.0253 -4.1157 3  358.0954 83  72503 303412121      402020        s-trans-Propenoic acid
  592535.3200  0.0707 -4.2955 3  890.2178155  72503 303771860      761859        s-trans-Propenoic acid
  592909.6118  0.0201 -4.2213 3  384.5376 91  72503 303451927      441826        s-trans-Propenoic acid
  592909.9101  0.0201 -4.2213 3  384.5376 91  72503 303451926      441827        s-trans-Propenoic acid
  592936.3610  0.0054 -5.4457 3  204.7213 71  72503 30335 530      34 431        s-trans-Propenoic acid
  592954.4473  0.0054 -5.4457 3  204.7213 71  72503 30335 630      34 331        s-trans-Propenoic acid
  592969.4131  0.0740 -4.2948 3  890.1808155  72503 303771760      761759        s-trans-Propenoic acid
  592980.6568  0.3877 -5.0517 3 1203.9482157  72503 303784137      774136        s-trans-Propenoic acid
  592980.6568  0.3877 -5.0517 3 1203.9482157  72503 303784138      774137        s-trans-Propenoic acid
  592987.3880  0.0221 -4.1643 3  370.4831 87  72503 303432024      421923        s-trans-Propenoic acid
  592987.3909  0.0221 -4.1643 3  370.4831 87  72503 303432023      421924        s-trans-Propenoic acid
  593320.7012  0.1697 -4.5820 3 1009.0952155  72503 303773048      763047        s-trans-Propenoic acid
  593320.7016  0.1697 -4.5820 3 1009.0952155  72503 303773047      763046        s-trans-Propenoic acid
  593347.7716  0.0816 -4.2410 3  858.9455151  72503 303751857      741856        s-trans-Propenoic acid
  593479.9624  0.3662 -5.0049 3 1185.5791157  72503 303784038      774037        s-trans-Propenoic acid
  593479.9624  0.3662 -5.0049 3 1185.5791157  72503 303784039      774038        s-trans-Propenoic acid
  593496.5676  0.0521 -4.2595 3  867.1936151  72503 303752056      742055        s-trans-Propenoic acid
  593508.0709  0.0908 -4.4019 3  930.5389153  72503 303762552      752551        s-trans-Propenoic acid
  593532.0956  0.0541 -4.2975 3  882.8700151  72503 303752254      742253        s-trans-Propenoic acid
  593536.8925  0.0907 -4.4019 3  930.5401153  72503 303762551      752550        s-trans-Propenoic acid
  593539.2528  0.1060 -4.4057 3  989.2205183  72503 30391 487      90 486        s-trans-Propenoic acid
  593539.2528  0.1060 -4.8317 3  989.2205183  72503 30391 487      90 586        s-trans-Propenoic acid
  593539.2528  0.1060 -4.8317 3  989.2205183  72503 30391 587      90 486        s-trans-Propenoic acid
  593539.2528  0.1060 -4.4057 3  989.2205183  72503 30391 587      90 586        s-trans-Propenoic acid
  593541.8851  0.1167 -4.4034 3  991.2970185  72503 30392 389      91 388        s-trans-Propenoic acid
  593541.8851  0.1167 -4.8175 3  991.2970185  72503 30392 389      91 488        s-trans-Propenoic acid
  593541.8851  0.1167 -4.8175 3  991.2970185  72503 30392 489      91 388        s-trans-Propenoic acid
  593541.8851  0.1167 -4.4034 3  991.2970185  72503 30392 489      91 488        s-trans-Propenoic acid
  593542.5763  0.0987 -4.4070 3  986.6171181  72503 30390 585      89 584        s-trans-Propenoic acid
  593542.5763  0.0987 -4.8457 3  986.6171181  72503 30390 585      89 684        s-trans-Propenoic acid
  593542.5763  0.0987 -4.8457 3  986.6171181  72503 30390 685      89 584        s-trans-Propenoic acid
  593542.5763  0.0987 -4.4070 3  986.6171181  72503 30390 685      89 684        s-trans-Propenoic acid
  593547.4743  0.1317 -4.4000 3  992.8515187  72503 30393 291      92 290        s-trans-Propenoic acid
  593547.4743  0.1317 -4.8030 3  992.8515187  72503 30393 291      92 390        s-trans-Propenoic acid
  593547.4743  0.1317 -4.8030 3  992.8515187  72503 30393 391      92 290        s-trans-Propenoic acid
  593547.4743  0.1317 -4.4000 3  992.8515187  72503 30393 391      92 390        s-trans-Propenoic acid
  593553.6146  0.1516 -4.3957 3  993.8883189  72503 30394 193      93 192        s-trans-Propenoic acid
  593553.6146  0.1516 -4.7882 3  993.8883189  72503 30394 193      93 292        s-trans-Propenoic acid
  593553.6146  0.1516 -4.7882 3  993.8883189  72503 30394 293      93 192        s-trans-Propenoic acid
  593553.6146  0.1516 -4.3957 3  993.8883189  72503 30394 293      93 292        s-trans-Propenoic acid
  593555.6336  0.0940 -4.4072 3  983.4806179  72503 30389 683      88 682        s-trans-Propenoic acid
  593555.6336  0.0940 -4.8597 3  983.4806179  72503 30389 683      88 782        s-trans-Propenoic acid
  593555.6336  0.0940 -4.8597 3  983.4806179  72503 30389 783      88 682        s-trans-Propenoic acid
  593555.6336  0.0940 -4.4072 3  983.4806179  72503 30389 783      88 782        s-trans-Propenoic acid
  593558.3578  0.1769 -4.3903 3  994.4113191  72503 30395 095      94 094        s-trans-Propenoic acid
  593558.3578  0.1769 -4.7731 3  994.4113191  72503 30395 095      94 194        s-trans-Propenoic acid
  593558.3578  0.1769 -4.7731 3  994.4113191  72503 30395 195      94 094        s-trans-Propenoic acid
  593558.3578  0.1769 -4.3903 3  994.4113191  72503 30395 195      94 194        s-trans-Propenoic acid
  593566.7611  0.0650 -3.9295 3  323.9334 61  72503 3033027 3      2926 4        s-trans-Propenoic acid
  593566.7611  0.0650 -3.9295 3  323.9334 61  72503 3033027 4      2926 3        s-trans-Propenoic acid
  593583.2389  0.0910 -4.4063 3  979.8041177  72503 30388 781      87 780        s-trans-Propenoic acid
  593583.2389  0.0910 -4.8737 3  979.8041177  72503 30388 781      87 880        s-trans-Propenoic acid
  593583.2389  0.0910 -4.8737 3  979.8041177  72503 30388 881      87 780        s-trans-Propenoic acid
  593583.2389  0.0910 -4.4063 3  979.8041177  72503 30388 881      87 880        s-trans-Propenoic acid
  593631.6072  0.0892 -4.4043 3  975.5791175  72503 30387 879      86 878        s-trans-Propenoic acid
  593631.6072  0.0892 -4.8879 3  975.5791175  72503 30387 879      86 978        s-trans-Propenoic acid
  593631.6072  0.0892 -4.8879 3  975.5791175  72503 30387 979      86 878        s-trans-Propenoic acid
  593631.6072  0.0892 -4.4043 3  975.5791175  72503 30387 979      86 978        s-trans-Propenoic acid
  593645.2387  0.0808 -5.0750 3  890.1808155  72503 303771860      761759        s-trans-Propenoic acid
  593708.8829  0.0879 -4.4011 3  970.7955173  72503 30386 977      85 976        s-trans-Propenoic acid
  593708.8829  0.0879 -4.9024 3  970.7955173  72503 30386 977      851076        s-trans-Propenoic acid
  593708.8829  0.0879 -4.9024 3  970.7955173  72503 303861077      85 976        s-trans-Propenoic acid
  593708.8829  0.0879 -4.4011 3  970.7955173  72503 303861077      851076        s-trans-Propenoic acid
  593735.9382  0.0072 -5.3238 3  266.7145 77  72503 303381326      371127        s-trans-Propenoic acid
  593825.9292  0.0867 -4.3967 3  965.4413171  72503 303851075      841074        s-trans-Propenoic acid
  593825.9292  0.0867 -4.9175 3  965.4413171  72503 303851075      841174        s-trans-Propenoic acid
  593825.9292  0.0867 -4.9175 3  965.4413171  72503 303851175      841074        s-trans-Propenoic acid
  593825.9292  0.0867 -4.3967 3  965.4413171  72503 303851175      841174        s-trans-Propenoic acid
  593997.5465  0.0856 -4.3910 3  959.5013169  72503 303841173      831172        s-trans-Propenoic acid
  593997.5465  0.0856 -4.9335 3  959.5013169  72503 303841173      831272        s-trans-Propenoic acid
  593997.5465  0.0856 -4.9335 3  959.5013169  72503 303841273      831172        s-trans-Propenoic acid
  593997.5465  0.0856 -4.3910 3  959.5013169  72503 303841273      831272        s-trans-Propenoic acid
  594013.5298  0.3452 -4.9592 3 1167.6901157  72503 303783939      773938        s-trans-Propenoic acid
  594013.5298  0.3452 -4.9592 3 1167.6901157  72503 303783940      773939        s-trans-Propenoic acid
  594204.5390  0.0064 -5.3868 3  262.4982 79  72503 303391030      38 831        s-trans-Propenoic acid
  594243.3484  0.0647 -4.2763 3  879.0854153  72503 303761958      751957        s-trans-Propenoic acid
  594244.4323  0.0843 -4.9507 3  952.9568167  72503 303831271      821370        s-trans-Propenoic acid
  594244.4324  0.0843 -4.3839 3  952.9568167  72503 303831371      821370        s-trans-Propenoic acid
  594244.4325  0.0843 -4.3839 3  952.9568167  72503 303831271      821270        s-trans-Propenoic acid
  594244.4326  0.0843 -4.9507 3  952.9568167  72503 303831371      821270        s-trans-Propenoic acid
  594585.7453  0.3246 -4.9149 3 1150.2836157  72503 303783840      773839        s-trans-Propenoic acid
  594585.7453  0.3246 -4.9149 3 1150.2836157  72503 303783841      773840        s-trans-Propenoic acid
  594596.4980  0.0828 -4.9698 3  945.7842165  72503 303821369      811468        s-trans-Propenoic acid
  594596.5011  0.0828 -4.3754 3  945.7842165  72503 303821469      811468        s-trans-Propenoic acid
  594596.5040  0.0828 -4.3754 3  945.7842165  72503 303821369      811368        s-trans-Propenoic acid
  594596.5071  0.0828 -4.9698 3  945.7842165  72503 303821469      811368        s-trans-Propenoic acid
  594599.3576  0.1538 -4.5483 3  996.2062155  72503 303772949      762948        s-trans-Propenoic acid
  594599.3634  0.1538 -4.5483 3  996.2062155  72503 303772948      762947        s-trans-Propenoic acid
  594646.2626  0.0064 -5.0344 3  262.4835 79  72503 303391030      38 731        s-trans-Propenoic acid
  594651.5633  0.0217 -4.4042 3  430.8565101  72503 303501734      491633        s-trans-Propenoic acid
  594659.4294  0.4618 -5.6914 3 1184.4196149  72503 303744430      744331        s-trans-Propenoic acid
  594659.4294  0.4618 -5.6914 3 1184.4196149  72503 303744431      744332        s-trans-Propenoic acid
  594798.7060  0.0562 -3.9539 3  327.5559 65  72503 3033226 6      3125 7        s-trans-Propenoic acid
  594798.7060  0.0562 -3.9539 3  327.5559 65  72503 3033226 7      3125 6        s-trans-Propenoic acid
  594841.5781  0.4143 -5.6416 3 1027.3294165  72503 303822161      812260        s-trans-Propenoic acid
  595020.9502  0.4480 -5.6647 3 1165.7027147  72503 303734429      734330        s-trans-Propenoic acid
  595020.9502  0.4480 -5.6647 3 1165.7027147  72503 303734430      734331        s-trans-Propenoic acid
  595063.9799  0.0052 -5.3009 3  218.7962 73  72503 30336 630      35 531        s-trans-Propenoic acid
  595064.9950  0.0052 -5.6855 3  218.7961 73  72503 30336 630      35 431        s-trans-Propenoic acid
  595098.7828  0.0812 -4.9914 3  937.9521163  72503 303811467      801566        s-trans-Propenoic acid
  595098.8623  0.0812 -4.3653 3  937.9521163  72503 303811567      801566        s-trans-Propenoic acid
  595098.9300  0.0812 -4.3653 3  937.9521163  72503 303811467      801466        s-trans-Propenoic acid
  595099.0094  0.0812 -4.9914 3  937.9521163  72503 303811567      801466        s-trans-Propenoic acid
  595132.5350  0.0055 -5.1890 3  233.1324 75  72503 30337 730      36 631        s-trans-Propenoic acid
  595142.0147  0.0055 -5.5670 3  233.1320 75  72503 30337 730      36 531        s-trans-Propenoic acid
  595181.4511  0.0058 -5.4683 3  247.7081 77  72503 30338 930      37 731        s-trans-Propenoic acid
  595192.1198  0.0493 -4.2751 3  874.8415151  72503 303752155      742154        s-trans-Propenoic acid
  595194.0446  0.0052 -5.6853 3  218.7962 73  72503 30336 730      35 531        s-trans-Propenoic acid
  595195.0597  0.0052 -5.3007 3  218.7961 73  72503 30336 730      35 431        s-trans-Propenoic acid
  595201.7471  0.3045 -4.8718 3 1133.3628157  72503 303783741      773740        s-trans-Propenoic acid
  595201.7471  0.3045 -4.8718 3 1133.3628157  72503 303783742      773741        s-trans-Propenoic acid
  595252.8809  0.0058 -5.1001 3  247.7057 77  72503 30338 930      37 631        s-trans-Propenoic acid
  595369.5010  0.4354 -5.6390 3 1147.2434145  72503 303724428      724329        s-trans-Propenoic acid
  595369.5010  0.4354 -5.6390 3 1147.2434145  72503 303724429      724330        s-trans-Propenoic acid
  595705.4437  0.4237 -5.6143 3 1129.0415143  72503 303714427      714328        s-trans-Propenoic acid
  595705.4437  0.4237 -5.6143 3 1129.0415143  72503 303714428      714329        s-trans-Propenoic acid
  595805.8977  0.0118 -5.6935 3  192.8996 57  72503 303281513      271314        s-trans-Propenoic acid
  595806.0099  0.0118 -5.6935 3  192.8996 57  72503 303281514      271315        s-trans-Propenoic acid
  595821.4994  0.0795 -5.0170 3  929.4186161  72503 303801565      791664        s-trans-Propenoic acid
  595823.1790  0.0796 -4.3533 3  929.4186161  72503 303801665      791664        s-trans-Propenoic acid
  595824.5169  0.0796 -4.3533 3  929.4185161  72503 303801565      791564        s-trans-Propenoic acid
  595826.1966  0.0796 -5.0170 3  929.4185161  72503 303801665      791564        s-trans-Propenoic acid
  595867.6026  0.2848 -4.8300 3 1116.9309157  72503 303783642      773641        s-trans-Propenoic acid
  595867.6026  0.2848 -4.8300 3 1116.9309157  72503 303783643      773642        s-trans-Propenoic acid
  595890.0931  0.0211 -4.4027 3  430.8227101  72503 303501733      491634        s-trans-Propenoic acid
  595899.7144  0.0054 -5.5661 3  233.1324 75  72503 30337 830      36 631        s-trans-Propenoic acid
  595908.9649  0.0384 -5.1623 3  898.9072155  72503 303771859      761958        s-trans-Propenoic acid
  595909.1940  0.0054 -5.1881 3  233.1320 75  72503 30337 830      36 531        s-trans-Propenoic acid
  595951.0166  0.0068 -5.3215 3  277.4802 81  72503 303401130      39 931        s-trans-Propenoic acid
  596003.6003  0.0482 -3.9809 3  332.6837 69  72503 3033425 9      332410        s-trans-Propenoic acid
  596003.6003  0.0482 -3.9809 3  332.6837 69  72503 303342510      3324 9        s-trans-Propenoic acid
  596029.1317  0.4131 -5.5906 3 1111.0969141  72503 303704426      704327        s-trans-Propenoic acid
  596029.1317  0.4131 -5.5906 3 1111.0969141  72503 303704427      704328        s-trans-Propenoic acid
  596057.4252  0.1383 -4.5156 3  983.8649155  72503 303772850      762849        s-trans-Propenoic acid
  596057.4923  0.1383 -4.5156 3  983.8649155  72503 303772849      762848        s-trans-Propenoic acid
  596192.1469  0.0774 -4.3731 3  920.5469153  72503 303762453      752452        s-trans-Propenoic acid
  596340.9106  0.4034 -5.5680 3 1093.4092139  72503 303694425      694326        s-trans-Propenoic acid
  596340.9106  0.4034 -5.5680 3 1093.4092139  72503 303694426      694327        s-trans-Propenoic acid
  596401.2050  0.0767 -4.3728 3  920.5562153  72503 303762452      752451        s-trans-Propenoic acid
  596590.5413  0.2657 -4.7893 3 1100.9920157  72503 303783543      773542        s-trans-Propenoic acid
  596590.5413  0.2657 -4.7893 3 1100.9920157  72503 303783544      773543        s-trans-Propenoic acid
  596597.0628  0.6853 -5.6740 3 1456.8396159  72503 303795227      785226        s-trans-Propenoic acid
  596597.0628  0.6853 -5.6740 3 1456.8396159  72503 303795228      785227        s-trans-Propenoic acid
  596641.1178  0.3945 -5.5465 3 1075.9784137  72503 303684424      684325        s-trans-Propenoic acid
  596641.1178  0.3945 -5.5465 3 1075.9784137  72503 303684425      684326        s-trans-Propenoic acid
  596857.4381  0.0776 -5.0486 3  920.1238159  72503 303791663      781762        s-trans-Propenoic acid
  596886.6263  0.0779 -4.3392 3  920.1238159  72503 303791763      781762        s-trans-Propenoic acid
  596897.2357  0.6572 -5.6121 3 1433.3058159  72503 303795128      785127        s-trans-Propenoic acid
  596897.2357  0.6572 -5.6121 3 1433.3058159  72503 303795129      785128        s-trans-Propenoic acid
  596908.0344  0.0782 -4.3392 3  920.1221159  72503 303791663      781662        s-trans-Propenoic acid
  596930.0834  0.3865 -5.5262 3 1058.8042135  72503 303674423      674324        s-trans-Propenoic acid
  596930.0834  0.3865 -5.5262 3 1058.8042135  72503 303674424      674325        s-trans-Propenoic acid
  596937.2226  0.0785 -5.0485 3  920.1221159  72503 303791763      781662        s-trans-Propenoic acid
  596997.2109  0.0147 -5.1315 3  369.7688 95  72503 303471334      461135        s-trans-Propenoic acid
  597066.2712  0.0574 -4.2387 3  855.9737149  72503 303742153      732152        s-trans-Propenoic acid
  597112.0957  0.0498 -4.1860 3  830.1288147  72503 303732053      722052        s-trans-Propenoic acid
  597159.4687  0.0411 -4.0112 3  339.3286 73  72503 303362412      352313        s-trans-Propenoic acid
  597159.4687  0.0411 -4.0112 3  339.3286 73  72503 303362413      352312        s-trans-Propenoic acid
  597208.1301  0.3793 -5.5072 3 1041.8865133  72503 303664422      664323        s-trans-Propenoic acid
  597208.1301  0.3793 -5.5072 3 1041.8865133  72503 303664423      664324        s-trans-Propenoic acid
  597208.8213  0.6295 -5.5517 3 1410.2373159  72503 303795029      785028        s-trans-Propenoic acid
  597208.8213  0.6295 -5.5517 3 1410.2373159  72503 303795030      785029        s-trans-Propenoic acid
  597379.2679  0.2469 -4.7499 3 1085.5505157  72503 303783444      773443        s-trans-Propenoic acid
  597379.2679  0.2469 -4.7499 3 1085.5505157  72503 303783445      773444        s-trans-Propenoic acid
  597475.5733  0.3729 -5.4894 3 1025.2251131  72503 303654421      654322        s-trans-Propenoic acid
  597475.5733  0.3729 -5.4894 3 1025.2251131  72503 303654422      654323        s-trans-Propenoic acid
  597504.1863  0.0540 -4.2922 3  883.0990151  72503 303752253      742252        s-trans-Propenoic acid
  597532.9558  0.6024 -5.4928 3 1387.6349159  72503 303794930      784929        s-trans-Propenoic acid
  597532.9558  0.6024 -5.4928 3 1387.6349159  72503 303794931      784930        s-trans-Propenoic acid
  597596.3840  0.0190 -4.5398 3  451.1601105  72503 303521636      511537        s-trans-Propenoic acid
  597732.7215  0.3671 -5.4730 3 1008.8198129  72503 303644420      644321        s-trans-Propenoic acid
  597732.7215  0.3671 -5.4730 3 1008.8198129  72503 303644421      644322        s-trans-Propenoic acid
  597742.5688  0.1230 -4.4841 3  972.0890155  72503 303772751      762750        s-trans-Propenoic acid
  597743.2614  0.1230 -4.4841 3  972.0890155  72503 303772750      762749        s-trans-Propenoic acid
  597870.2808  0.0840 -4.2701 3  878.7375153  72503 303761858      751857        s-trans-Propenoic acid
  597870.9050  0.5758 -5.4354 3 1365.4995159  72503 303794831      784830        s-trans-Propenoic acid
  597870.9050  0.5758 -5.4354 3 1365.4995159  72503 303794832      784831        s-trans-Propenoic acid
  597979.8768  0.3620 -5.4581 3  992.6705127  72503 303634419      634320        s-trans-Propenoic acid
  597979.8768  0.3620 -5.4581 3  992.6705127  72503 303634420      634321        s-trans-Propenoic acid
  598030.7840  0.0717 -5.0912 3  909.9827157  72503 303781761      771860        s-trans-Propenoic acid
  598161.0133  0.0453 -4.1715 3  825.1330147  72503 303731954      721953        s-trans-Propenoic acid
  598197.6166  0.0067 -5.0002 3  277.4053 81  72503 303401130      39 831        s-trans-Propenoic acid
  598217.3343  0.3575 -5.4448 3  976.7769125  72503 303624418      624319        s-trans-Propenoic acid
  598217.3343  0.3575 -5.4448 3  976.7769125  72503 303624419      624320        s-trans-Propenoic acid
  598224.0836  0.5498 -5.3794 3 1343.8322159  72503 303794732      784731        s-trans-Propenoic acid
  598224.0836  0.5498 -5.3794 3 1343.8322159  72503 303794733      784732        s-trans-Propenoic acid
  598228.3091  0.0078 -5.4831 3  225.8992 67  72503 303331419      321220        s-trans-Propenoic acid
  598232.1708  0.0350 -4.0451 3  347.5065 77  72503 303382315      372216        s-trans-Propenoic acid
  598232.1708  0.0350 -4.0451 3  347.5065 77  72503 303382316      372215        s-trans-Propenoic acid
  598244.3900  0.2286 -4.7117 3 1070.6120157  72503 303783345      773344        s-trans-Propenoic acid
  598244.3900  0.2286 -4.7117 3 1070.6120157  72503 303783346      773345        s-trans-Propenoic acid
  598353.7586  0.0078 -5.4829 3  225.8950 67  72503 303331420      321221        s-trans-Propenoic acid
  598438.2249  0.0761 -4.3225 3  909.9827157  72503 303781861      771860        s-trans-Propenoic acid
  598445.3828  0.3536 -5.4331 3  961.1390123  72503 303614417      614318        s-trans-Propenoic acid
  598445.3828  0.3536 -5.4331 3  961.1390123  72503 303614418      614319        s-trans-Propenoic acid
  598510.2905  0.0798 -5.2918 3  927.2655157  72503 303781959      772058        s-trans-Propenoic acid
  598594.0780  0.5242 -5.3248 3 1322.6341159  72503 303794633      784632        s-trans-Propenoic acid
  598594.0780  0.5242 -5.3248 3 1322.6341159  72503 303794634      784633        s-trans-Propenoic acid
  598664.3052  0.3502 -5.4232 3  945.7565121  72503 303604416      604317        s-trans-Propenoic acid
  598664.3052  0.3502 -5.4232 3  945.7565121  72503 303604417      604318        s-trans-Propenoic acid
  598666.8437  0.0208 -4.3093 3  412.5117 97  72503 303481831      471730        s-trans-Propenoic acid
  598704.0925  0.0208 -4.3093 3  412.5107 97  72503 303481830      471731        s-trans-Propenoic acid
  598706.6095  0.0783 -4.3220 3  909.9601157  72503 303781761      771760        s-trans-Propenoic acid
  598874.3779  0.3472 -5.4152 3  930.6293119  72503 303594415      594316        s-trans-Propenoic acid
  598874.3779  0.3472 -5.4152 3  930.6293119  72503 303594416      594317        s-trans-Propenoic acid
  598960.5136  0.0100 -5.2344 3  261.3706 77  72503 303381227      37 928        s-trans-Propenoic acid
  598982.6733  0.4992 -5.2716 3 1301.9063159  72503 303794534      784533        s-trans-Propenoic acid
  598982.6733  0.4992 -5.2716 3 1301.9063159  72503 303794535      784534        s-trans-Propenoic acid
  599075.8716  0.3447 -5.4095 3  915.7573117  72503 303584414      584315        s-trans-Propenoic acid
  599075.8716  0.3447 -5.4095 3  915.7573117  72503 303584415      584316        s-trans-Propenoic acid
  599114.0505  0.0828 -5.0896 3  909.9601157  72503 303781861      771760        s-trans-Propenoic acid
  599168.3892  0.0298 -4.0835 3  357.2387 81  72503 303402218      392119        s-trans-Propenoic acid
  599168.3892  0.0298 -4.0835 3  357.2387 81  72503 303402219      392118        s-trans-Propenoic acid
  599196.5704  0.0896 -4.7721 3  560.6123119  72503 303591743      581642        s-trans-Propenoic acid
  599199.0179  0.2107 -4.6747 3 1056.1830157  72503 303783246      773245        s-trans-Propenoic acid
  599199.0179  0.2107 -4.6747 3 1056.1830157  72503 303783247      773246        s-trans-Propenoic acid
  599269.0511  0.3425 -5.4061 3  901.1402115  72503 303574413      574314        s-trans-Propenoic acid
  599269.0511  0.3425 -5.4061 3  901.1402115  72503 303574414      574315        s-trans-Propenoic acid
  599303.6492  0.0653 -4.3453 3  911.2497153  72503 303762354      752353        s-trans-Propenoic acid
  599391.8850  0.4746 -5.2198 3 1281.6502159  72503 303794435      784434        s-trans-Propenoic acid
  599391.8850  0.4746 -5.2198 3 1281.6502159  72503 303794436      784435        s-trans-Propenoic acid
  599454.1757  0.3408 -5.4053 3  886.7780113  72503 303564412      564313        s-trans-Propenoic acid
  599454.1757  0.3408 -5.4053 3  886.7780113  72503 303564413      564314        s-trans-Propenoic acid
  599631.4990  0.3393 -5.4076 3  872.6705111  72503 303554411      554312        s-trans-Propenoic acid
  599631.4990  0.3393 -5.4076 3  872.6705111  72503 303554412      554313        s-trans-Propenoic acid
  599722.9489  0.1080 -4.4535 3  960.9021155  72503 303772652      762651        s-trans-Propenoic acid
  599726.7044  0.1129 -4.4333 3 1009.0189185  72503 30392 488      91 487        s-trans-Propenoic acid
  599726.7044  0.1129 -4.8587 3 1009.0189185  72503 30392 488      91 587        s-trans-Propenoic acid
  599726.7044  0.1129 -4.8587 3 1009.0189185  72503 30392 588      91 487        s-trans-Propenoic acid
  599726.7044  0.1129 -4.4333 3 1009.0189185  72503 30392 588      91 587        s-trans-Propenoic acid
  599729.3032  0.1080 -4.4535 3  960.9024155  72503 303772651      762650        s-trans-Propenoic acid
  599729.3399  0.1051 -4.4345 3 1006.4155183  72503 30391 586      90 585        s-trans-Propenoic acid
  599729.3399  0.1051 -4.8725 3 1006.4155183  72503 30391 586      90 685        s-trans-Propenoic acid
  599729.3399  0.1051 -4.8725 3 1006.4155183  72503 30391 686      90 585        s-trans-Propenoic acid
  599729.3399  0.1051 -4.4345 3 1006.4155183  72503 30391 686      90 685        s-trans-Propenoic acid
  599729.7495  0.1244 -4.4311 3 1011.0954187  72503 30393 390      92 389        s-trans-Propenoic acid
  599729.7495  0.1244 -4.8447 3 1011.0954187  72503 30393 390      92 489        s-trans-Propenoic acid
  599729.7495  0.1244 -4.8447 3 1011.0954187  72503 30393 490      92 389        s-trans-Propenoic acid
  599729.7495  0.1244 -4.4311 3 1011.0954187  72503 30393 490      92 489        s-trans-Propenoic acid
  599735.5609  0.1402 -4.4278 3 1012.6501189  72503 30394 292      93 291        s-trans-Propenoic acid
  599735.5609  0.1402 -4.8305 3 1012.6501189  72503 30394 292      93 391        s-trans-Propenoic acid
  599735.5609  0.1402 -4.8305 3 1012.6501189  72503 30394 392      93 291        s-trans-Propenoic acid
  599735.5609  0.1402 -4.4278 3 1012.6501189  72503 30394 392      93 391        s-trans-Propenoic acid
  599741.3150  0.1001 -4.4347 3 1003.2795181  72503 30390 684      89 683        s-trans-Propenoic acid
  599741.3150  0.1001 -4.8862 3 1003.2795181  72503 30390 684      89 783        s-trans-Propenoic acid
  599741.3150  0.1001 -4.8862 3 1003.2795181  72503 30390 784      89 683        s-trans-Propenoic acid
  599741.3150  0.1001 -4.4347 3 1003.2795181  72503 30390 784      89 783        s-trans-Propenoic acid
  599741.7936  0.1612 -4.4235 3 1013.6872191  72503 30395 194      94 193        s-trans-Propenoic acid
  599741.7936  0.1612 -4.8159 3 1013.6872191  72503 30395 194      94 293        s-trans-Propenoic acid
  599741.7936  0.1612 -4.8159 3 1013.6872191  72503 30395 294      94 193        s-trans-Propenoic acid
  599741.7936  0.1612 -4.4235 3 1013.6872191  72503 30395 294      94 293        s-trans-Propenoic acid
  599746.5426  0.1877 -4.4181 3 1014.2103193  72503 30396 096      95 095        s-trans-Propenoic acid
  599746.5426  0.1877 -4.8009 3 1014.2103193  72503 30396 096      95 195        s-trans-Propenoic acid
  599746.5426  0.1877 -4.8009 3 1014.2103193  72503 30396 196      95 095        s-trans-Propenoic acid
  599746.5426  0.1877 -4.4181 3 1014.2103193  72503 30396 196      95 195        s-trans-Propenoic acid
  599767.2758  0.0969 -4.4337 3  999.6039179  72503 30389 782      88 781        s-trans-Propenoic acid
  599767.2758  0.0969 -4.8999 3  999.6039179  72503 30389 782      88 881        s-trans-Propenoic acid
  599767.2758  0.0969 -4.8999 3  999.6039179  72503 30389 882      88 781        s-trans-Propenoic acid
  599767.2758  0.0969 -4.4337 3  999.6039179  72503 30389 882      88 881        s-trans-Propenoic acid
  599801.2690  0.3381 -5.4134 3  858.8175109  72503 303544410      544311        s-trans-Propenoic acid
  599801.2690  0.3381 -5.4134 3  858.8175109  72503 303544411      544312        s-trans-Propenoic acid
  599813.1970  0.0949 -4.4316 3  995.3805177  72503 30388 880      87 879        s-trans-Propenoic acid
  599813.1970  0.0949 -4.9137 3  995.3805177  72503 30388 880      87 979        s-trans-Propenoic acid
  599813.1970  0.0949 -4.9137 3  995.3805177  72503 30388 980      87 879        s-trans-Propenoic acid
  599813.1970  0.0949 -4.4316 3  995.3805177  72503 30388 980      87 979        s-trans-Propenoic acid
  599823.9990  0.4506 -5.1693 3 1261.8673159  72503 303794336      784335        s-trans-Propenoic acid
  599823.9990  0.4506 -5.1693 3 1261.8673159  72503 303794337      784336        s-trans-Propenoic acid
  599850.6994  0.0742 -3.9127 3  328.8615 59  72503 3032928 1      2827 2        s-trans-Propenoic acid
  599850.6994  0.0742 -3.9127 3  328.8615 59  72503 3032928 2      2827 1        s-trans-Propenoic acid
  599883.4149  0.0258 -4.1273 3  368.5540 85  72503 303422122      412021        s-trans-Propenoic acid
  599883.4150  0.0258 -4.1273 3  368.5540 85  72503 303422121      412022        s-trans-Propenoic acid
  599886.8746  0.0935 -4.4284 3  990.5995175  72503 30387 978      86 977        s-trans-Propenoic acid
  599886.8746  0.0935 -4.9278 3  990.5995175  72503 30387 978      861077        s-trans-Propenoic acid
  599886.8746  0.0935 -4.9278 3  990.5995175  72503 303871078      86 977        s-trans-Propenoic acid
  599886.8746  0.0935 -4.4284 3  990.5995175  72503 303871078      861077        s-trans-Propenoic acid
  599892.1004  0.0074 -5.3044 3  276.6742 79  72503 303391327      381128        s-trans-Propenoic acid
  599963.7287  0.3372 -5.4231 3  845.2189107  72503 3035344 9      534310        s-trans-Propenoic acid
  599963.7287  0.3372 -5.4231 3  845.2189107  72503 303534410      534311        s-trans-Propenoic acid
  599991.5695  0.0213 -4.2371 3  396.1151 93  72503 303461928      451827        s-trans-Propenoic acid
  599992.2413  0.0213 -4.2371 3  396.1150 93  72503 303461927      451828        s-trans-Propenoic acid
  599998.6563  0.0923 -4.4239 3  985.2492173  72503 303861076      851075        s-trans-Propenoic acid
  599998.6563  0.0923 -4.9425 3  985.2492173  72503 303861076      851175        s-trans-Propenoic acid
  599998.6563  0.0923 -4.9425 3  985.2492173  72503 303861176      851075        s-trans-Propenoic acid
  599998.6563  0.0923 -4.4239 3  985.2492173  72503 303861176      851175        s-trans-Propenoic acid
  600012.2796  0.0107 -5.3337 3  251.3948 75  72503 303371226      36 927        s-trans-Propenoic acid
  600119.1155  0.3364 -5.4377 3  831.8745105  72503 3035244 8      5243 9        s-trans-Propenoic acid
  600119.1155  0.3364 -5.4377 3  831.8745105  72503 3035244 9      524310        s-trans-Propenoic acid
  600162.5601  0.0912 -4.4182 3  979.3149171  72503 303851174      841173        s-trans-Propenoic acid
  600162.5601  0.0912 -4.9579 3  979.3149171  72503 303851174      841273        s-trans-Propenoic acid
  600162.5601  0.0912 -4.9579 3  979.3149171  72503 303851274      841173        s-trans-Propenoic acid
  600162.5601  0.0912 -4.4182 3  979.3149171  72503 303851274      841273        s-trans-Propenoic acid
  600195.0232  0.0242 -4.4314 3  443.9626103  72503 303511735      501634        s-trans-Propenoic acid
  600238.2381  0.0229 -4.1777 3  381.4931 89  72503 303442025      431924        s-trans-Propenoic acid
  600238.2455  0.0229 -4.1777 3  381.4931 89  72503 303442024      431925        s-trans-Propenoic acid
  600259.6285  0.1933 -4.6388 3 1042.2712157  72503 303783147      773146        s-trans-Propenoic acid
  600259.6285  0.1933 -4.6388 3 1042.2712157  72503 303783148      773147        s-trans-Propenoic acid
  600267.6619  0.3359 -5.4581 3  818.7843103  72503 3035144 7      5143 8        s-trans-Propenoic acid
  600267.6619  0.3359 -5.4581 3  818.7843103  72503 3035144 8      5143 9        s-trans-Propenoic acid
  600271.7318  0.0711 -4.3032 3  898.9072155  72503 303771959      761958        s-trans-Propenoic acid
  600281.6185  0.4271 -5.1201 3 1242.5593159  72503 303794237      784236        s-trans-Propenoic acid
  600281.6185  0.4271 -5.1201 3 1242.5593159  72503 303794238      784237        s-trans-Propenoic acid
  600389.4871  0.0586 -4.2848 3  886.9905153  72503 303762057      752056        s-trans-Propenoic acid
  600398.0566  0.0899 -4.9745 3  972.7787169  72503 303841272      831371        s-trans-Propenoic acid
  600398.0567  0.0899 -4.4111 3  972.7787169  72503 303841272      831271        s-trans-Propenoic acid
  600398.0567  0.0899 -4.4111 3  972.7787169  72503 303841372      831371        s-trans-Propenoic acid
  600398.0568  0.0899 -4.9745 3  972.7787169  72503 303841372      831271        s-trans-Propenoic acid
  600409.5951  0.3356 -5.4857 3  805.9481101  72503 3035044 6      5043 7        s-trans-Propenoic acid
  600409.5951  0.3356 -5.4857 3  805.9481101  72503 3035044 7      5043 8        s-trans-Propenoic acid
  600545.1376  0.3354 -5.5227 3  793.3657 99  72503 3034944 5      4943 6        s-trans-Propenoic acid
  600545.1376  0.3354 -5.5227 3  793.3657 99  72503 3034944 6      4943 7        s-trans-Propenoic acid
  600568.1658  0.0630 -4.3436 3  911.3138153  72503 303762353      752352        s-trans-Propenoic acid
  600674.5065  0.3354 -5.5724 3  781.0371 97  72503 3034844 4      4843 5        s-trans-Propenoic acid
  600674.5065  0.3354 -5.5724 3  781.0371 97  72503 3034844 5      4843 6        s-trans-Propenoic acid
  600733.0493  0.0884 -4.9928 3  965.6178167  72503 303831370      821469        s-trans-Propenoic acid
  600733.0510  0.0884 -4.4025 3  965.6178167  72503 303831470      821469        s-trans-Propenoic acid
  600733.0525  0.0884 -4.4025 3  965.6178167  72503 303831370      821369        s-trans-Propenoic acid
  600733.0541  0.0884 -4.9928 3  965.6178167  72503 303831470      821369        s-trans-Propenoic acid
  600767.7230  0.4041 -5.0722 3 1223.7280159  72503 303794138      784137        s-trans-Propenoic acid
  600767.7230  0.4041 -5.0722 3 1223.7280159  72503 303794139      784138        s-trans-Propenoic acid
  600781.8361  0.0092 -5.1486 3  271.5281 79  72503 303391228      38 929        s-trans-Propenoic acid
  600797.9146  0.3355 -5.6401 3  768.9620 95  72503 3034744 3      4743 4        s-trans-Propenoic acid
  600797.9146  0.3355 -5.6401 3  768.9620 95  72503 3034744 4      4743 5        s-trans-Propenoic acid
  601092.5272  0.0646 -3.9353 3  331.4995 63  72503 3033127 4      3026 5        s-trans-Propenoic acid
  601092.5272  0.0646 -3.9353 3  331.4995 63  72503 3033127 5      3026 4        s-trans-Propenoic acid
  601209.1366  0.0867 -5.0135 3  957.8025165  72503 303821468      811567        s-trans-Propenoic acid
  601209.1793  0.0867 -4.3924 3  957.8025165  72503 303821568      811567        s-trans-Propenoic acid
  601209.2161  0.0867 -4.3924 3  957.8025165  72503 303821468      811467        s-trans-Propenoic acid
  601209.2588  0.0867 -5.0135 3  957.8025165  72503 303821568      811467        s-trans-Propenoic acid
  601285.7402  0.3816 -5.0256 3 1205.3755159  72503 303794039      784038        s-trans-Propenoic acid
  601285.7402  0.3816 -5.0256 3 1205.3755159  72503 303794040      784039        s-trans-Propenoic acid
  601447.3528  0.1762 -4.6041 3 1028.8862157  72503 303783049      773048        s-trans-Propenoic acid
  601447.3538  0.1762 -4.6041 3 1028.8862157  72503 303783048      773047        s-trans-Propenoic acid
  601544.8010  0.1723 -4.9673 3  683.6723133  72503 303661849      651748        s-trans-Propenoic acid
  601839.6371  0.3596 -4.9803 3 1187.5042159  72503 303793940      783939        s-trans-Propenoic acid
  601839.6371  0.3596 -4.9803 3 1187.5042159  72503 303793941      783940        s-trans-Propenoic acid
  601890.8663  0.0850 -5.0377 3  949.2931163  72503 303811566      801665        s-trans-Propenoic acid
  601891.7961  0.0850 -4.3805 3  949.2931163  72503 303811666      801665        s-trans-Propenoic acid
  601892.5459  0.0850 -4.3805 3  949.2930163  72503 303811566      801565        s-trans-Propenoic acid
  601893.4757  0.0850 -5.0377 3  949.2930163  72503 303811666      801565        s-trans-Propenoic acid
  601957.8675  0.2106 -5.4507 3  976.6683161  72503 303802060      792159        s-trans-Propenoic acid
  602059.6090  0.0272 -4.7595 3  413.4118101  72503 303501436      491337        s-trans-Propenoic acid
  602092.7540  0.0934 -4.4239 3  950.3362155  72503 303772553      762552        s-trans-Propenoic acid
  602143.8548  0.0932 -4.4238 3  950.3383155  72503 303772552      762551        s-trans-Propenoic acid
  602201.5343  0.0563 -4.3197 3  902.6681153  72503 303762255      752254        s-trans-Propenoic acid
  602317.7508  0.0558 -3.9604 3  335.6363 67  72503 3033326 7      3225 8        s-trans-Propenoic acid
  602317.7508  0.0558 -3.9604 3  335.6363 67  72503 3033326 8      3225 7        s-trans-Propenoic acid
  602396.8625  0.0229 -4.4288 3  443.9031103  72503 303511734      501635        s-trans-Propenoic acid
  602434.0350  0.3381 -4.9362 3 1170.1169159  72503 303793841      783840        s-trans-Propenoic acid
  602434.0350  0.3381 -4.9362 3 1170.1169159  72503 303793842      783841        s-trans-Propenoic acid
  602634.0302  0.0115 -5.6526 3  200.0601 59  72503 303291514      281315        s-trans-Propenoic acid
  602634.3289  0.0115 -5.6526 3  200.0601 59  72503 303291515      281316        s-trans-Propenoic acid
  602712.3033  0.0863 -4.2991 3  898.6803155  72503 303771859      761858        s-trans-Propenoic acid
  602789.9694  0.1595 -4.5705 3 1016.0399157  72503 303782950      772949        s-trans-Propenoic acid
  602789.9814  0.1595 -4.5705 3 1016.0399157  72503 303782949      772948        s-trans-Propenoic acid
  602871.0643  0.0831 -5.0673 3  940.0338161  72503 303801664      791763        s-trans-Propenoic acid
  602887.7880  0.0833 -4.3665 3  940.0338161  72503 303801764      791763        s-trans-Propenoic acid
  602900.2525  0.0835 -4.3665 3  940.0328161  72503 303801664      791663        s-trans-Propenoic acid
  602916.9763  0.0837 -5.0673 3  940.0328161  72503 303801764      791663        s-trans-Propenoic acid
  603074.3566  0.3171 -4.8933 3 1153.2166159  72503 303793742      783741        s-trans-Propenoic acid
  603074.3566  0.3171 -4.8933 3 1153.2166159  72503 303793743      783742        s-trans-Propenoic acid
  603147.0023  0.0533 -4.2987 3  894.6950153  72503 303762156      752155        s-trans-Propenoic acid
  603348.8599  0.0111 -5.4394 3  241.6221 73  72503 303361225      35 926        s-trans-Propenoic acid
  603467.7580  0.0525 -5.1679 3  918.9301157  72503 303781860      771959        s-trans-Propenoic acid
  603510.6019  0.0480 -3.9883 3  341.2815 71  72503 303352510      342411        s-trans-Propenoic acid
  603510.6019  0.0480 -3.9883 3  341.2815 71  72503 303352511      342410        s-trans-Propenoic acid
  603767.0180  0.2965 -4.8517 3 1136.8069159  72503 303793643      783642        s-trans-Propenoic acid
  603767.0180  0.2965 -4.8517 3 1136.8069159  72503 303793644      783643        s-trans-Propenoic acid
  603778.0423  0.1588 -5.1250 3  858.9455151  72503 303751957      741856        s-trans-Propenoic acid
  603855.7801  0.0272 -4.8440 3  382.6618 97  72503 303481335      471236        s-trans-Propenoic acid
  603857.9962  0.0607 -4.1998 3  845.0855149  72503 303741955      731954        s-trans-Propenoic acid
  603889.2587  0.0078 -5.4545 3  234.4496 69  72503 303341420      331221        s-trans-Propenoic acid
  604106.1299  0.0787 -5.1065 3  929.9444159  72503 303791762      781861        s-trans-Propenoic acid
  604141.9161  0.0078 -5.4542 3  234.4411 69  72503 303341421      331222        s-trans-Propenoic acid
  604202.0701  0.0083 -5.0435 3  272.1920 81  72503 30340 931      39 832        s-trans-Propenoic acid
  604249.0039  0.7145 -5.6910 3 1476.7400161  72503 303805228      795227        s-trans-Propenoic acid
  604249.0039  0.7145 -5.6910 3 1476.7400161  72503 303805229      795228        s-trans-Propenoic acid
  604325.1210  0.1431 -4.5381 3 1003.7472157  72503 303782851      772850        s-trans-Propenoic acid
  604325.2538  0.1431 -4.5381 3 1003.7472157  72503 303782850      772849        s-trans-Propenoic acid
  604349.5268  0.0816 -4.3500 3  929.9444159  72503 303791862      781861        s-trans-Propenoic acid
  604452.9909  0.0082 -5.4018 3  272.1836 81  72503 30340 931      39 732        s-trans-Propenoic acid
  604513.5709  0.0831 -4.3498 3  929.9308159  72503 303791762      781761        s-trans-Propenoic acid
  604519.6827  0.2765 -4.8113 3 1120.8921159  72503 303793544      783543        s-trans-Propenoic acid
  604519.6827  0.2765 -4.8113 3 1120.8921159  72503 303793545      783544        s-trans-Propenoic acid
  604558.6077  0.6852 -5.6296 3 1453.2162161  72503 303805129      795128        s-trans-Propenoic acid
  604558.6077  0.6852 -5.6296 3 1453.2162161  72503 303805130      795129        s-trans-Propenoic acid
  604646.6384  0.0411 -4.0195 3  348.4480 75  72503 303372413      362314        s-trans-Propenoic acid
  604646.6384  0.0411 -4.0195 3  348.4480 75  72503 303372414      362313        s-trans-Propenoic acid
  604673.6191  0.1401 -5.1344 3  878.7375153  72503 303761958      751857        s-trans-Propenoic acid
  604681.9197  0.0071 -5.2787 3  292.6528 83  72503 303411230      401031        s-trans-Propenoic acid
  604756.9678  0.0860 -5.1055 3  929.9308159  72503 303791862      781761        s-trans-Propenoic acid
  604815.1983  0.1811 -5.1165 3  839.2939149  72503 303741956      731855        s-trans-Propenoic acid
  604880.1350  0.6563 -5.5697 3 1430.1580161  72503 303805030      795029        s-trans-Propenoic acid
  604880.1350  0.6563 -5.5697 3 1430.1580161  72503 303805031      795030        s-trans-Propenoic acid
  604940.1213  0.0794 -4.3952 3  940.4337155  72503 303772454      762453        s-trans-Propenoic acid
  605183.5978  0.0272 -4.4613 3  457.3719105  72503 303521736      511635        s-trans-Propenoic acid
  605214.7711  0.6280 -5.5113 3 1407.5664161  72503 303804931      794930        s-trans-Propenoic acid
  605214.7711  0.6280 -5.5113 3 1407.5664161  72503 303804932      794931        s-trans-Propenoic acid
  605292.6097  0.0783 -4.3947 3  940.4500155  72503 303772453      762452        s-trans-Propenoic acid
  605341.6032  0.2568 -4.7721 3 1105.4769159  72503 303793445      783444        s-trans-Propenoic acid
  605341.6032  0.2568 -4.7721 3 1105.4769159  72503 303793446      783445        s-trans-Propenoic acid
  605353.3009  0.0226 -4.3297 3  424.9595 99  72503 303491832      481731        s-trans-Propenoic acid
  605427.1313  0.0226 -4.3296 3  424.9575 99  72503 303491831      481732        s-trans-Propenoic acid
  605563.8374  0.6002 -5.4543 3 1385.4424161  72503 303804832      794831        s-trans-Propenoic acid
  605563.8374  0.6002 -5.4543 3 1385.4424161  72503 303804833      794832        s-trans-Propenoic acid
  605688.0761  0.0351 -4.0546 3  357.1527 79  72503 303392316      382217        s-trans-Propenoic acid
  605688.0761  0.0351 -4.0546 3  357.1527 79  72503 303392317      382216        s-trans-Propenoic acid
  605765.6984  0.0084 -5.0807 3  281.8544 81  72503 303401229      39 930        s-trans-Propenoic acid
  605913.3275  0.1203 -4.4615 3 1029.0236187  72503 30393 489      92 488        s-trans-Propenoic acid
  605913.3275  0.1203 -4.8863 3 1029.0236187  72503 30393 489      92 588        s-trans-Propenoic acid
  605913.3275  0.1203 -4.8863 3 1029.0236187  72503 30393 589      92 488        s-trans-Propenoic acid
  605913.3275  0.1203 -4.4615 3 1029.0236187  72503 30393 589      92 588        s-trans-Propenoic acid
  605915.2955  0.1119 -4.4627 3 1026.4203185  72503 30392 587      91 586        s-trans-Propenoic acid
  605915.2955  0.1119 -4.8999 3 1026.4203185  72503 30392 587      91 686        s-trans-Propenoic acid
  605915.2955  0.1119 -4.8999 3 1026.4203185  72503 30392 687      91 586        s-trans-Propenoic acid
  605915.2955  0.1119 -4.4627 3 1026.4203185  72503 30392 687      91 686        s-trans-Propenoic acid
  605916.7742  0.1324 -4.4593 3 1031.1002189  72503 30394 391      93 390        s-trans-Propenoic acid
  605916.7742  0.1324 -4.8726 3 1031.1002189  72503 30394 391      93 490        s-trans-Propenoic acid
  605916.7742  0.1324 -4.8726 3 1031.1002189  72503 30394 491      93 390        s-trans-Propenoic acid
  605916.7742  0.1324 -4.4593 3 1031.1002189  72503 30394 491      93 490        s-trans-Propenoic acid
  605922.8023  0.1491 -4.4561 3 1032.6551191  72503 30395 293      94 292        s-trans-Propenoic acid
  605922.8023  0.1491 -4.8585 3 1032.6551191  72503 30395 293      94 392        s-trans-Propenoic acid
  605922.8023  0.1491 -4.8585 3 1032.6551191  72503 30395 393      94 292        s-trans-Propenoic acid
  605922.8023  0.1491 -4.4561 3 1032.6551191  72503 30395 393      94 392        s-trans-Propenoic acid
  605926.2241  0.1064 -4.4627 3 1023.2847183  72503 30391 685      90 684        s-trans-Propenoic acid
  605926.2241  0.1064 -4.9133 3 1023.2847183  72503 30391 685      90 784        s-trans-Propenoic acid
  605926.2241  0.1064 -4.9133 3 1023.2847183  72503 30391 785      90 684        s-trans-Propenoic acid
  605926.2241  0.1064 -4.4627 3 1023.2847183  72503 30391 785      90 784        s-trans-Propenoic acid
  605928.8117  0.5730 -5.3988 3 1363.7868161  72503 303804733      794732        s-trans-Propenoic acid
  605928.8117  0.5730 -5.3988 3 1363.7868161  72503 303804734      794733        s-trans-Propenoic acid
  605929.1249  0.1712 -4.4519 3 1033.6924193  72503 30396 195      95 194        s-trans-Propenoic acid
  605929.1249  0.1712 -4.8441 3 1033.6924193  72503 30396 195      95 294        s-trans-Propenoic acid
  605929.1249  0.1712 -4.8441 3 1033.6924193  72503 30396 295      95 194        s-trans-Propenoic acid
  605929.1249  0.1712 -4.4519 3 1033.6924193  72503 30396 295      95 294        s-trans-Propenoic acid
  605933.8789  0.1991 -4.4466 3 1034.2156195  72503 30397 097      96 096        s-trans-Propenoic acid
  605933.8789  0.1991 -4.8293 3 1034.2156195  72503 30397 097      96 196        s-trans-Propenoic acid
  605933.8789  0.1991 -4.8293 3 1034.2156195  72503 30397 197      96 096        s-trans-Propenoic acid
  605933.8789  0.1991 -4.4466 3 1034.2156195  72503 30397 197      96 196        s-trans-Propenoic acid
  605950.6000  0.1030 -4.4617 3 1019.6099181  72503 30390 783      89 782        s-trans-Propenoic acid
  605950.6000  0.1030 -4.9267 3 1019.6099181  72503 30390 783      89 882        s-trans-Propenoic acid
  605950.6000  0.1030 -4.9267 3 1019.6099181  72503 30390 883      89 782        s-trans-Propenoic acid
  605950.6000  0.1030 -4.4617 3 1019.6099181  72503 30390 883      89 882        s-trans-Propenoic acid
  605994.1712  0.1008 -4.4595 3 1015.3881179  72503 30389 881      88 880        s-trans-Propenoic acid
  605994.1712  0.1008 -4.9401 3 1015.3881179  72503 30389 881      88 980        s-trans-Propenoic acid
  605994.1712  0.1008 -4.9401 3 1015.3881179  72503 30389 981      88 880        s-trans-Propenoic acid
  605994.1712  0.1008 -4.4595 3 1015.3881179  72503 30389 981      88 980        s-trans-Propenoic acid
  606064.4068  0.0993 -4.4562 3 1010.6096177  72503 30388 979      87 978        s-trans-Propenoic acid
  606064.4068  0.0993 -4.9539 3 1010.6096177  72503 30388 979      871078        s-trans-Propenoic acid
  606064.4068  0.0993 -4.9539 3 1010.6096177  72503 303881079      87 978        s-trans-Propenoic acid
  606064.4068  0.0993 -4.4562 3 1010.6096177  72503 303881079      871078        s-trans-Propenoic acid
  606105.5973  0.1271 -4.5066 3  992.0275157  72503 303782752      772751        s-trans-Propenoic acid
  606106.9161  0.1271 -4.5066 3  992.0276157  72503 303782751      772750        s-trans-Propenoic acid
  606171.1733  0.0982 -4.4517 3 1005.2630175  72503 303871077      861076        s-trans-Propenoic acid
  606171.1733  0.0982 -4.9681 3 1005.2630175  72503 303871077      861176        s-trans-Propenoic acid
  606171.1733  0.0982 -4.9681 3 1005.2630175  72503 303871177      861076        s-trans-Propenoic acid
  606171.1733  0.0982 -4.4517 3 1005.2630175  72503 303871177      861176        s-trans-Propenoic acid
  606224.6857  0.0776 -4.3308 3  918.9301157  72503 303781960      771959        s-trans-Propenoic acid
  606244.0924  0.2377 -4.7341 3 1090.5673159  72503 303793346      783345        s-trans-Propenoic acid
  606244.0924  0.2377 -4.7341 3 1090.5673159  72503 303793347      783346        s-trans-Propenoic acid
  606311.3517  0.5463 -5.3446 3 1342.6010161  72503 303804634      794633        s-trans-Propenoic acid
  606311.3517  0.5463 -5.3446 3 1342.6010161  72503 303804635      794634        s-trans-Propenoic acid
  606319.8738  0.0763 -4.7213 3  544.8055117  72503 303581742      571641        s-trans-Propenoic acid
  606327.7642  0.0970 -4.4459 3  999.3342173  72503 303861175      851174        s-trans-Propenoic acid
  606327.7642  0.0970 -4.9830 3  999.3342173  72503 303861175      851274        s-trans-Propenoic acid
  606327.7642  0.0970 -4.9830 3  999.3342173  72503 303861275      851174        s-trans-Propenoic acid
  606327.7642  0.0970 -4.4459 3  999.3342173  72503 303861275      851274        s-trans-Propenoic acid
  606552.5234  0.0957 -4.9990 3  992.8058171  72503 303851273      841372        s-trans-Propenoic acid
  606552.5235  0.0957 -4.4388 3  992.8058171  72503 303851273      841272        s-trans-Propenoic acid
  606552.5235  0.0957 -4.9990 3  992.8058171  72503 303851373      841272        s-trans-Propenoic acid
  606552.5235  0.0957 -4.4388 3  992.8058171  72503 303851373      841372        s-trans-Propenoic acid
  606576.0229  0.0302 -4.0943 3  367.4185 83  72503 303412219      402120        s-trans-Propenoic acid
  606576.0229  0.0302 -4.0943 3  367.4185 83  72503 303412220      402119        s-trans-Propenoic acid
  606713.3238  0.5202 -5.2917 3 1321.8862161  72503 303804535      794534        s-trans-Propenoic acid
  606713.3238  0.5202 -5.2917 3 1321.8862161  72503 303804536      794535        s-trans-Propenoic acid
  606762.5781  0.0077 -5.2876 3  286.8916 81  72503 303401328      391129        s-trans-Propenoic acid
  606871.5309  0.0942 -5.0165 3  985.6561169  72503 303841371      831470        s-trans-Propenoic acid
  606871.5317  0.0942 -4.4302 3  985.6561169  72503 303841471      831470        s-trans-Propenoic acid
  606871.5325  0.0942 -4.4302 3  985.6561169  72503 303841371      831370        s-trans-Propenoic acid
  606871.5334  0.0942 -5.0165 3  985.6561169  72503 303841471      831370        s-trans-Propenoic acid
  607021.9560  0.0227 -4.2538 3  407.9640 95  72503 303471929      461828        s-trans-Propenoic acid
  607023.4339  0.0227 -4.2538 3  407.9640 95  72503 303471928      461829        s-trans-Propenoic acid
  607024.9360  0.0658 -4.3113 3  907.0173155  72503 303772058      762057        s-trans-Propenoic acid
  607075.0702  0.1260 -5.1450 3  898.6803155  72503 303771959      761858        s-trans-Propenoic acid
  607136.8374  0.4946 -5.2402 3 1301.6437161  72503 303804436      794435        s-trans-Propenoic acid
  607136.8374  0.4946 -5.2402 3 1301.6437161  72503 303804437      794436        s-trans-Propenoic acid
  607144.9324  0.0236 -4.6820 3  445.4540105  72503 303521537      511438        s-trans-Propenoic acid
  607183.5521  0.0463 -4.2058 3  850.0463149  72503 303742054      732053        s-trans-Propenoic acid
  607216.8064  0.0265 -4.1396 3  379.2763 87  72503 303432123      422022        s-trans-Propenoic acid
  607216.8065  0.0265 -4.1396 3  379.2763 87  72503 303432122      422023        s-trans-Propenoic acid
  607241.1876  0.2190 -4.6973 3 1076.1701159  72503 303793247      783246        s-trans-Propenoic acid
  607241.1876  0.2190 -4.6973 3 1076.1701159  72503 303793248      783247        s-trans-Propenoic acid
  607323.2897  0.0925 -5.0363 3  977.8567167  72503 303831469      821568        s-trans-Propenoic acid
  607323.3126  0.0925 -4.4201 3  977.8567167  72503 303831569      821568        s-trans-Propenoic acid
  607323.3324  0.0925 -4.4201 3  977.8567167  72503 303831469      821468        s-trans-Propenoic acid
  607323.3553  0.0925 -5.0363 3  977.8567167  72503 303831569      821468        s-trans-Propenoic acid
  607378.0994  0.0738 -3.9184 3  336.1700 61  72503 3033028 2      2927 3        s-trans-Propenoic acid
  607378.0994  0.0738 -3.9184 3  336.1700 61  72503 3033028 3      2927 2        s-trans-Propenoic acid
  607455.9287  0.0240 -4.1920 3  392.7701 91  72503 303452026      441925        s-trans-Propenoic acid
  607455.9469  0.0240 -4.1920 3  392.7701 91  72503 303452025      441926        s-trans-Propenoic acid
  607584.2865  0.4695 -5.1901 3 1281.8753161  72503 303804337      794336        s-trans-Propenoic acid
  607584.2865  0.4695 -5.1901 3 1281.8753161  72503 303804338      794337        s-trans-Propenoic acid
  607830.5249  0.0890 -4.3282 3  918.7846157  72503 303781860      771859        s-trans-Propenoic acid
  607951.9272  0.0201 -4.5806 3  464.8604107  72503 303531637      521538        s-trans-Propenoic acid
  607967.0995  0.0907 -5.0592 3  969.3700165  72503 303821567      811666        s-trans-Propenoic acid
  607967.6116  0.0907 -4.4083 3  969.3700165  72503 303821667      811666        s-trans-Propenoic acid
  607968.0293  0.0907 -4.4083 3  969.3700165  72503 303821567      811566        s-trans-Propenoic acid
  607968.5414  0.0908 -5.0592 3  969.3700165  72503 303821667      811566        s-trans-Propenoic acid
  608058.3998  0.4449 -5.1412 3 1262.5825161  72503 303804238      794237        s-trans-Propenoic acid
  608058.3998  0.4449 -5.1412 3 1262.5825161  72503 303804239      794238        s-trans-Propenoic acid
  608060.2041  0.0595 -4.3118 3  903.0296153  72503 303762254      752253        s-trans-Propenoic acid
  608133.0393  0.0672 -4.3677 3  931.2403155  72503 303772355      762354        s-trans-Propenoic acid
  608155.2134  0.2044 -5.1080 3  819.7752147  72503 303731955      721854        s-trans-Propenoic acid
  608186.1163  0.0111 -5.5440 3  232.0793 71  72503 303351224      34 925        s-trans-Propenoic acid
  608206.9592  0.1113 -4.4762 3  980.9067157  72503 303782653      772652        s-trans-Propenoic acid
  608218.5710  0.1113 -4.4762 3  980.9072157  72503 303782652      772651        s-trans-Propenoic acid
  608234.2771  0.0062 -5.6408 3  198.5076 71  72503 30335 431      34 332        s-trans-Propenoic acid
  608235.2946  0.0062 -5.6408 3  198.5076 71  72503 30335 531      34 232        s-trans-Propenoic acid
  608350.6168  0.2007 -4.6616 3 1062.2937159  72503 303793149      783148        s-trans-Propenoic acid
  608350.6169  0.2007 -4.6616 3 1062.2937159  72503 303793148      783147        s-trans-Propenoic acid
  608468.0541  0.0632 -4.2567 3  875.8897151  72503 303752154      742153        s-trans-Propenoic acid
  608562.3040  0.4209 -5.0936 3 1243.7674161  72503 303804139      794138        s-trans-Propenoic acid
  608562.3040  0.4209 -5.0936 3 1243.7674161  72503 303804140      794139        s-trans-Propenoic acid
  608595.1565  0.0776 -4.2303 3  865.2280151  72503 303751956      741955        s-trans-Propenoic acid
  608615.8425  0.0642 -3.9416 3  339.3204 65  72503 3033227 5      3126 6        s-trans-Propenoic acid
  608615.8425  0.0642 -3.9416 3  339.3204 65  72503 3033227 6      3126 5        s-trans-Propenoic acid
  608868.1990  0.0233 -4.9150 3  353.1747 93  72503 303461234      451135        s-trans-Propenoic acid
  608892.1172  0.0889 -5.0871 3  960.1439163  72503 303811665      801764        s-trans-Propenoic acid
  608901.6375  0.0890 -4.3944 3  960.1439163  72503 303811765      801764        s-trans-Propenoic acid
  608908.8410  0.0891 -4.3944 3  960.1434163  72503 303811665      801664        s-trans-Propenoic acid
  608918.3612  0.0892 -5.0871 3  960.1434163  72503 303811765      801664        s-trans-Propenoic acid
  609008.1977  0.0249 -4.4569 3  457.2695105  72503 303521735      511636        s-trans-Propenoic acid
  609099.6002  0.3974 -5.0472 3 1225.4322161  72503 303804040      794039        s-trans-Propenoic acid
  609099.6002  0.3974 -5.0472 3 1225.4322161  72503 303804041      794040        s-trans-Propenoic acid
  609239.1200  0.0078 -5.4278 3  243.2811 71  72503 303351421      341222        s-trans-Propenoic acid
  609363.6699  0.0112 -5.6145 3  207.4865 61  72503 303301515      291316        s-trans-Propenoic acid
  609364.4311  0.0112 -5.6145 3  207.4865 61  72503 303301516      291317        s-trans-Propenoic acid
  609383.4532  0.0311 -4.4945 3  471.0937107  72503 303531737      521636        s-trans-Propenoic acid
  609436.8819  0.0189 -5.1567 3  373.4843 95  72503 303471433      461234        s-trans-Propenoic acid
  609437.9419  0.4594 -5.6732 3 1167.1028145  72503 303724527      724428        s-trans-Propenoic acid
  609437.9419  0.4594 -5.6732 3 1167.1028145  72503 303724528      724429        s-trans-Propenoic acid
  609595.2514  0.1827 -4.6271 3 1048.9483159  72503 303793050      783049        s-trans-Propenoic acid
  609595.2535  0.1827 -4.6271 3 1048.9483159  72503 303793049      783048        s-trans-Propenoic acid
  609674.4620  0.3744 -5.0022 3 1207.5794161  72503 303803941      793940        s-trans-Propenoic acid
  609674.4620  0.3744 -5.0022 3 1207.5794161  72503 303803942      793941        s-trans-Propenoic acid
  609731.8412  0.0078 -5.4273 3  243.2644 71  72503 303351422      341223        s-trans-Propenoic acid
  609751.3435  0.0473 -5.2833 3  947.7275159  72503 303791960      782059        s-trans-Propenoic acid
  609757.2625  0.4478 -5.6490 3 1148.9121143  72503 303714526      714427        s-trans-Propenoic acid
  609757.2625  0.4478 -5.6490 3 1148.9121143  72503 303714527      714428        s-trans-Propenoic acid
  609832.9950  0.0556 -3.9674 3  343.9723 69  72503 3033426 8      3325 9        s-trans-Propenoic acid
  609832.9950  0.0556 -3.9674 3  343.9723 69  72503 3033426 9      3325 8        s-trans-Propenoic acid
  610065.1036  0.4372 -5.6259 3 1130.9783141  72503 303704525      704426        s-trans-Propenoic acid
  610065.1036  0.4372 -5.6259 3 1130.9783141  72503 303704526      704427        s-trans-Propenoic acid
  610129.3862  0.0854 -5.1233 3  950.1033161  72503 303801763      791862        s-trans-Propenoic acid
  610132.3985  0.0643 -4.3651 3  931.3466155  72503 303772354      762353        s-trans-Propenoic acid
  610273.5535  0.0873 -4.3781 3  950.1033161  72503 303801863      791862        s-trans-Propenoic acid
  610291.7586  0.3519 -4.9583 3 1190.2119161  72503 303803842      793841        s-trans-Propenoic acid
  610291.7586  0.3519 -4.9583 3 1190.2119161  72503 303803843      793842        s-trans-Propenoic acid
  610361.7831  0.4275 -5.6039 3 1113.3010139  72503 303694524      694425        s-trans-Propenoic acid
  610361.7831  0.4275 -5.6039 3 1113.3010139  72503 303694525      694426        s-trans-Propenoic acid
  610372.7831  0.0883 -4.3779 3  950.0952161  72503 303801763      791762        s-trans-Propenoic acid
  610411.5072  0.0662 -5.1773 3  939.1516159  72503 303791861      781960        s-trans-Propenoic acid
  610516.9504  0.0902 -5.1227 3  950.0952161  72503 303801863      791762        s-trans-Propenoic acid
  610587.4525  0.1166 -5.1571 3  918.7846157  72503 303781960      771859        s-trans-Propenoic acid
  610647.6122  0.4188 -5.5832 3 1095.8802137  72503 303684523      684424        s-trans-Propenoic acid
  610647.6122  0.4188 -5.5832 3 1095.8802137  72503 303684524      684425        s-trans-Propenoic acid
  610729.0455  0.0959 -4.4467 3  970.4199157  72503 303782554      772553        s-trans-Propenoic acid
  610745.1486  0.0590 -4.3429 3  922.7554155  72503 303772256      762255        s-trans-Propenoic acid
  610818.3139  0.0955 -4.4466 3  970.4237157  72503 303782553      772552        s-trans-Propenoic acid
  610826.8760  0.0585 -4.3236 3  914.8138155  72503 303772157      762156        s-trans-Propenoic acid
  610851.1949  0.0200 -5.1913 3  360.9102 93  72503 303461432      451233        s-trans-Propenoic acid
  610922.8950  0.4109 -5.5636 3 1078.7157135  72503 303674522      674423        s-trans-Propenoic acid
  610922.8950  0.4109 -5.5636 3 1078.7157135  72503 303674523      674424        s-trans-Propenoic acid
  610957.2145  0.3299 -4.9157 3 1173.3330161  72503 303803743      793742        s-trans-Propenoic acid
  610957.2145  0.3299 -4.9157 3 1173.3330161  72503 303803744      793743        s-trans-Propenoic acid
  611005.3823  0.1652 -4.5937 3 1036.1468159  72503 303792951      782950        s-trans-Propenoic acid
  611005.4066  0.1652 -4.5937 3 1036.1468159  72503 303792950      782949        s-trans-Propenoic acid
  611011.9465  0.0478 -3.9962 3  350.1360 73  72503 303362511      352412        s-trans-Propenoic acid
  611011.9465  0.0478 -3.9962 3  350.1360 73  72503 303362512      352411        s-trans-Propenoic acid
  611187.9292  0.4037 -5.5454 3 1061.8072133  72503 303664521      664422        s-trans-Propenoic acid
  611187.9292  0.4037 -5.5454 3 1061.8072133  72503 303664522      664423        s-trans-Propenoic acid
  611237.7828  0.0634 -4.6692 3  529.3501115  72503 303571741      561640        s-trans-Propenoic acid
  611443.0063  0.3973 -5.5285 3 1045.1547131  72503 303654520      654421        s-trans-Propenoic acid
  611443.0063  0.3973 -5.5285 3 1045.1547131  72503 303654521      654422        s-trans-Propenoic acid
  611484.7679  0.0166 -5.1295 3  386.2902 97  72503 303481434      471235        s-trans-Propenoic acid
  611538.4459  0.0120 -5.0009 3  297.9380 85  72503 303421032      41 933        s-trans-Propenoic acid
  611677.6170  0.3085 -4.8743 3 1156.9464161  72503 303803644      793643        s-trans-Propenoic acid
  611677.6170  0.3085 -4.8743 3 1156.9464161  72503 303803645      793644        s-trans-Propenoic acid
  611688.4114  0.3917 -5.5131 3 1028.7580129  72503 303644519      644420        s-trans-Propenoic acid
  611688.4114  0.3917 -5.5131 3 1028.7580129  72503 303644520      644421        s-trans-Propenoic acid
  611924.4236  0.3866 -5.4992 3 1012.6169127  72503 303634518      634419        s-trans-Propenoic acid
  611924.4236  0.3866 -5.4992 3 1012.6169127  72503 303634519      634420        s-trans-Propenoic acid
  611924.6338  0.0247 -4.3513 3  437.6880101  72503 303501833      491732        s-trans-Propenoic acid
  611941.4014  0.0056 -5.4489 3  212.7199 73  72503 30336 531      35 432        s-trans-Propenoic acid
  611950.9223  0.0056 -5.4489 3  212.7199 73  72503 30336 631      35 332        s-trans-Propenoic acid
  612067.8783  0.0246 -4.3512 3  437.6840101  72503 303501832      491733        s-trans-Propenoic acid
  612099.1122  0.1280 -4.4903 3 1049.2347189  72503 30394 490      93 489        s-trans-Propenoic acid
  612099.1122  0.1280 -4.9145 3 1049.2347189  72503 30394 490      93 589        s-trans-Propenoic acid
  612099.1122  0.1280 -4.9145 3 1049.2347189  72503 30394 590      93 489        s-trans-Propenoic acid
  612099.1122  0.1280 -4.4903 3 1049.2347189  72503 30394 590      93 589        s-trans-Propenoic acid
  612100.4323  0.1190 -4.4913 3 1046.6315187  72503 30393 588      92 587        s-trans-Propenoic acid
  612100.4323  0.1190 -4.9278 3 1046.6315187  72503 30393 588      92 687        s-trans-Propenoic acid
  612100.4323  0.1190 -4.9278 3 1046.6315187  72503 30393 688      92 587        s-trans-Propenoic acid
  612100.4323  0.1190 -4.4913 3 1046.6315187  72503 30393 688      92 687        s-trans-Propenoic acid
  612102.9500  0.1408 -4.4882 3 1051.3114191  72503 30395 392      94 391        s-trans-Propenoic acid
  612102.9500  0.1408 -4.9010 3 1051.3114191  72503 30395 392      94 491        s-trans-Propenoic acid
  612102.9500  0.1408 -4.9010 3 1051.3114191  72503 30395 492      94 391        s-trans-Propenoic acid
  612102.9500  0.1408 -4.4882 3 1051.3114191  72503 30395 492      94 491        s-trans-Propenoic acid
  612109.1896  0.1585 -4.4850 3 1052.8665193  72503 30396 294      95 293        s-trans-Propenoic acid
  612109.1896  0.1585 -4.8871 3 1052.8665193  72503 30396 294      95 393        s-trans-Propenoic acid
  612109.1896  0.1585 -4.8871 3 1052.8665193  72503 30396 394      95 293        s-trans-Propenoic acid
  612109.1896  0.1585 -4.4850 3 1052.8665193  72503 30396 394      95 393        s-trans-Propenoic acid
  612110.3482  0.1132 -4.4913 3 1043.4962185  72503 30392 686      91 685        s-trans-Propenoic acid
  612110.3482  0.1132 -4.9410 3 1043.4962185  72503 30392 686      91 785        s-trans-Propenoic acid
  612110.3482  0.1132 -4.9410 3 1043.4962185  72503 30392 786      91 685        s-trans-Propenoic acid
  612110.3482  0.1132 -4.4913 3 1043.4962185  72503 30392 786      91 785        s-trans-Propenoic acid
  612115.5998  0.1817 -4.4808 3 1053.9040195  72503 30397 196      96 195        s-trans-Propenoic acid
  612115.5998  0.1817 -4.8729 3 1053.9040195  72503 30397 196      96 295        s-trans-Propenoic acid
  612115.5998  0.1817 -4.8729 3 1053.9040195  72503 30397 296      96 195        s-trans-Propenoic acid
  612115.5998  0.1817 -4.4808 3 1053.9040195  72503 30397 296      96 295        s-trans-Propenoic acid
  612120.3577  0.2109 -4.4756 3 1054.4274197  72503 30398 098      97 097        s-trans-Propenoic acid
  612120.3577  0.2109 -4.8583 3 1054.4274197  72503 30398 098      97 197        s-trans-Propenoic acid
  612120.3577  0.2109 -4.8583 3 1054.4274197  72503 30398 198      97 097        s-trans-Propenoic acid
  612120.3577  0.2109 -4.4756 3 1054.4274197  72503 30398 198      97 197        s-trans-Propenoic acid
  612125.5937  0.0411 -4.0285 3  357.8254 77  72503 303382414      372315        s-trans-Propenoic acid
  612125.5937  0.0411 -4.0285 3  357.8254 77  72503 303382415      372314        s-trans-Propenoic acid
  612131.3225  0.0840 -4.3590 3  939.1516159  72503 303791961      781960        s-trans-Propenoic acid
  612133.1955  0.1094 -4.4902 3 1039.8223183  72503 30391 784      90 783        s-trans-Propenoic acid
  612133.1955  0.1094 -4.9541 3 1039.8223183  72503 30391 784      90 883        s-trans-Propenoic acid
  612133.1955  0.1094 -4.9541 3 1039.8223183  72503 30391 884      90 783        s-trans-Propenoic acid
  612133.1955  0.1094 -4.4902 3 1039.8223183  72503 30391 884      90 883        s-trans-Propenoic acid
  612151.3162  0.3822 -5.4870 3  996.7313125  72503 303624517      624418        s-trans-Propenoic acid
  612151.3162  0.3822 -5.4870 3  996.7313125  72503 303624518      624419        s-trans-Propenoic acid
  612174.5082  0.1071 -4.4880 3 1035.6019181  72503 30390 882      89 881        s-trans-Propenoic acid
  612174.5082  0.1071 -4.9672 3 1035.6019181  72503 30390 882      89 981        s-trans-Propenoic acid
  612174.5082  0.1071 -4.9672 3 1035.6019181  72503 30390 982      89 881        s-trans-Propenoic acid
  612174.5082  0.1071 -4.4880 3 1035.6019181  72503 30390 982      89 981        s-trans-Propenoic acid
  612224.0405  0.7138 -5.6483 3 1473.3821163  72503 303815130      805129        s-trans-Propenoic acid
  612224.0405  0.7138 -5.6483 3 1473.3821163  72503 303815131      805130        s-trans-Propenoic acid
  612241.4478  0.1055 -4.4846 3 1030.8257179  72503 30389 980      88 979        s-trans-Propenoic acid
  612241.4478  0.1055 -4.9806 3 1030.8257179  72503 30389 980      881079        s-trans-Propenoic acid
  612241.4478  0.1055 -4.9806 3 1030.8257179  72503 303891080      88 979        s-trans-Propenoic acid
  612241.4478  0.1055 -4.4846 3 1030.8257179  72503 303891080      881079        s-trans-Propenoic acid
  612293.2468  0.1662 -4.9387 3  665.8865131  72503 303651848      641747        s-trans-Propenoic acid
  612329.8059  0.0117 -5.3463 3  297.9116 85  72503 303421032      41 833        s-trans-Propenoic acid
  612343.4319  0.1043 -4.4801 3 1025.4827177  72503 303881078      871077        s-trans-Propenoic acid
  612343.4319  0.1043 -4.9944 3 1025.4827177  72503 303881078      871177        s-trans-Propenoic acid
  612343.4319  0.1043 -4.9944 3 1025.4827177  72503 303881178      871077        s-trans-Propenoic acid
  612343.4319  0.1043 -4.4801 3 1025.4827177  72503 303881178      871177        s-trans-Propenoic acid
  612369.3567  0.3783 -5.4767 3  981.1010123  72503 303614516      614417        s-trans-Propenoic acid
  612369.3567  0.3783 -5.4767 3  981.1010123  72503 303614517      614418        s-trans-Propenoic acid
  612461.0929  0.2875 -4.8342 3 1141.0567161  72503 303803545      793544        s-trans-Propenoic acid
  612461.0929  0.2875 -4.8342 3 1141.0567161  72503 303803546      793545        s-trans-Propenoic acid
  612479.3126  0.0362 -4.5315 3  485.1395109  72503 303541738      531637        s-trans-Propenoic acid
  612493.0813  0.1031 -4.4742 3 1019.5591175  72503 303871176      861175        s-trans-Propenoic acid
  612493.0813  0.1031 -5.0088 3 1019.5591175  72503 303871176      861275        s-trans-Propenoic acid
  612493.0813  0.1031 -5.0088 3 1019.5591175  72503 303871276      861175        s-trans-Propenoic acid
  612493.0813  0.1031 -4.4742 3 1019.5591175  72503 303871276      861275        s-trans-Propenoic acid
  612555.7522  0.6837 -5.5889 3 1450.3347163  72503 303815031      805030        s-trans-Propenoic acid
  612555.7522  0.6837 -5.5889 3 1450.3347163  72503 303815032      805031        s-trans-Propenoic acid
  612576.1265  0.0062 -5.1063 3  256.9719 79  72503 30339 831      38 732        s-trans-Propenoic acid
  612578.8069  0.3749 -5.4682 3  965.7258121  72503 303604515      604416        s-trans-Propenoic acid
  612578.8069  0.3749 -5.4682 3  965.7258121  72503 303604516      604417        s-trans-Propenoic acid
  612614.9491  0.0062 -5.4773 3  256.9706 79  72503 30339 831      38 632        s-trans-Propenoic acid
  612622.4243  0.1480 -4.5613 3 1023.9053159  72503 303792852      782851        s-trans-Propenoic acid
  612622.6837  0.1480 -4.5613 3 1023.9053159  72503 303792851      782850        s-trans-Propenoic acid
  612634.0473  0.0175 -4.9640 3  324.9344 89  72503 303441133      431034        s-trans-Propenoic acid
  612703.3210  0.0922 -4.2621 3  885.5286153  72503 303761957      751956        s-trans-Propenoic acid
  612707.7036  0.1018 -5.0242 3 1013.0382173  72503 303861274      851373        s-trans-Propenoic acid
  612707.7037  0.1018 -4.4671 3 1013.0382173  72503 303861274      851273        s-trans-Propenoic acid
  612707.7037  0.1018 -5.0242 3 1013.0382173  72503 303861374      851273        s-trans-Propenoic acid
  612707.7037  0.1018 -4.4671 3 1013.0382173  72503 303861374      851373        s-trans-Propenoic acid
  612779.9233  0.3720 -5.4620 3  950.6056119  72503 303594514      594415        s-trans-Propenoic acid
  612779.9233  0.3720 -5.4620 3  950.6056119  72503 303594515      594416        s-trans-Propenoic acid
  612901.1511  0.6542 -5.5309 3 1427.7542163  72503 303814932      804931        s-trans-Propenoic acid
  612901.1511  0.6542 -5.5309 3 1427.7542163  72503 303814933      804932        s-trans-Propenoic acid
  612972.9570  0.3696 -5.4581 3  935.7403117  72503 303584513      584414        s-trans-Propenoic acid
  612972.9570  0.3696 -5.4581 3  935.7403117  72503 303584514      584415        s-trans-Propenoic acid
  613011.7183  0.1002 -5.0410 3 1005.8991171  72503 303851372      841471        s-trans-Propenoic acid
  613011.7187  0.1002 -4.4585 3 1005.8991171  72503 303851472      841471        s-trans-Propenoic acid
  613011.7191  0.1002 -4.4585 3 1005.8991171  72503 303851372      841371        s-trans-Propenoic acid
  613011.7196  0.1002 -5.0410 3 1005.8991171  72503 303851472      841371        s-trans-Propenoic acid
  613132.2054  0.0353 -4.0648 3  367.0586 81  72503 303402317      392218        s-trans-Propenoic acid
  613132.2054  0.0353 -4.0648 3  367.0586 81  72503 303402318      392217        s-trans-Propenoic acid
  613158.1536  0.3675 -5.4569 3  921.1297115  72503 303574512      574413        s-trans-Propenoic acid
  613158.1536  0.3675 -5.4569 3  921.1297115  72503 303574513      574414        s-trans-Propenoic acid
  613168.4349  0.0924 -4.3574 3  939.0596159  72503 303791861      781860        s-trans-Propenoic acid
  613261.6160  0.6252 -5.4744 3 1405.6418163  72503 303814833      804832        s-trans-Propenoic acid
  613261.6160  0.6252 -5.4744 3 1405.6418163  72503 303814834      804833        s-trans-Propenoic acid
  613317.4830  0.2669 -4.7952 3 1125.6690161  72503 303803446      793445        s-trans-Propenoic acid
  613317.4830  0.2669 -4.7952 3 1125.6690161  72503 303803447      793446        s-trans-Propenoic acid
  613335.7539  0.3657 -5.4587 3  906.7736113  72503 303564511      564412        s-trans-Propenoic acid
  613335.7539  0.3657 -5.4587 3  906.7736113  72503 303564512      564413        s-trans-Propenoic acid
  613400.1745  0.0065 -5.3942 3  272.1920 81  72503 303401031      39 832        s-trans-Propenoic acid
  613435.4161  0.0071 -5.3277 3  287.6063 83  72503 303411131      40 932        s-trans-Propenoic acid
  613436.6413  0.0736 -4.3387 3  927.2655157  72503 303782059      772058        s-trans-Propenoic acid
  613440.8404  0.0986 -5.0599 3  998.1148169  72503 303841470      831569        s-trans-Propenoic acid
  613440.8526  0.0986 -4.4484 3  998.1148169  72503 303841570      831569        s-trans-Propenoic acid
  613440.8632  0.0986 -4.4484 3  998.1148169  72503 303841470      831469        s-trans-Propenoic acid
  613440.8754  0.0986 -5.0599 3  998.1148169  72503 303841570      831469        s-trans-Propenoic acid
  613505.9935  0.3643 -5.4640 3  892.6720111  72503 303554510      554411        s-trans-Propenoic acid
  613505.9935  0.3643 -5.4640 3  892.6720111  72503 303554511      554412        s-trans-Propenoic acid
  613638.6900  0.5968 -5.4192 3 1383.9984163  72503 303814734      804733        s-trans-Propenoic acid
  613638.6900  0.5968 -5.4192 3 1383.9984163  72503 303814735      804734        s-trans-Propenoic acid
  613651.0953  0.0065 -5.0365 3  272.1836 81  72503 303401031      39 732        s-trans-Propenoic acid
  613658.8826  0.0837 -3.9030 3  341.5647 59  72503 3032929 0      2828 1        s-trans-Propenoic acid
  613658.8826  0.0837 -3.9030 3  341.5647 59  72503 3032929 1      2828 0        s-trans-Propenoic acid
  613663.3777  0.0108 -5.6418 3  222.7948 69  72503 303341223      33 924        s-trans-Propenoic acid
  613669.1028  0.3631 -5.4733 3  878.8247109  72503 3035445 9      544410        s-trans-Propenoic acid
  613669.1028  0.3631 -5.4733 3  878.8247109  72503 303544510      544411        s-trans-Propenoic acid
  613734.9053  0.0814 -4.4182 3  960.6123157  72503 303782455      772454        s-trans-Propenoic acid
  613781.4564  0.0521 -4.6191 3  514.2563113  72503 303561740      551639        s-trans-Propenoic acid
  613825.3077  0.3622 -5.4874 3  865.2315107  72503 3035345 8      5344 9        s-trans-Propenoic acid
  613825.3077  0.3622 -5.4874 3  865.2315107  72503 3035345 9      534410        s-trans-Propenoic acid
  613880.0241  0.0079 -5.0317 3  292.3460 83  72503 303411230      40 931        s-trans-Propenoic acid
  613966.8113  0.0307 -4.1059 3  377.8600 85  72503 303422220      412121        s-trans-Propenoic acid
  613966.8113  0.0307 -4.1059 3  377.8600 85  72503 303422221      412120        s-trans-Propenoic acid
  613974.8292  0.3615 -5.5073 3  851.8923105  72503 3035245 7      5244 8        s-trans-Propenoic acid
  613974.8292  0.3615 -5.5073 3  851.8923105  72503 3035245 8      5244 9        s-trans-Propenoic acid
  613984.5347  0.2251 -5.0979 3  800.3897145  72503 303721954      711853        s-trans-Propenoic acid
  613995.4577  0.0244 -4.2716 3  420.0856 97  72503 303481930      471829        s-trans-Propenoic acid
  613998.6354  0.0244 -4.2716 3  420.0855 97  72503 303481929      471830        s-trans-Propenoic acid
  614034.1052  0.5690 -5.3653 3 1362.8254163  72503 303814635      804634        s-trans-Propenoic acid
  614034.1052  0.5690 -5.3653 3 1362.8254163  72503 303814636      804635        s-trans-Propenoic acid
  614049.5828  0.0967 -5.0817 3  989.6497167  72503 303831568      821667        s-trans-Propenoic acid
  614049.8635  0.0968 -4.4366 3  989.6497167  72503 303831668      821667        s-trans-Propenoic acid
  614050.0949  0.0968 -4.4366 3  989.6496167  72503 303831568      821567        s-trans-Propenoic acid
  614050.3756  0.0968 -5.0817 3  989.6496167  72503 303831668      821567        s-trans-Propenoic acid
  614082.9157  0.0431 -4.5730 3  499.5226111  72503 303551739      541638        s-trans-Propenoic acid
  614117.8833  0.3610 -5.5345 3  838.8071103  72503 3035145 6      5144 7        s-trans-Propenoic acid
  614117.8833  0.3610 -5.5345 3  838.8071103  72503 3035145 7      5144 8        s-trans-Propenoic acid
  614193.9832  0.0080 -5.4032 3  252.3979 73  72503 303361422      351223        s-trans-Propenoic acid
  614254.6818  0.3607 -5.5710 3  825.9756101  72503 3035045 5      5044 6        s-trans-Propenoic acid
  614254.6818  0.3607 -5.5710 3  825.9756101  72503 3035045 6      5044 7        s-trans-Propenoic acid
  614258.8615  0.2469 -4.7574 3 1110.7894161  72503 303803347      793346        s-trans-Propenoic acid
  614258.8615  0.2469 -4.7574 3 1110.7894161  72503 303803348      793347        s-trans-Propenoic acid
  614319.1894  0.0796 -4.4174 3  960.6404157  72503 303782454      772453        s-trans-Propenoic acid
  614343.0149  0.0053 -5.3045 3  227.2134 75  72503 30337 631      36 532        s-trans-Propenoic acid
  614385.4315  0.3605 -5.6202 3  813.3978 99  72503 3034945 4      4944 5        s-trans-Propenoic acid
  614385.4315  0.3605 -5.6202 3  813.3978 99  72503 3034945 5      4944 6        s-trans-Propenoic acid
  614396.2643  0.0196 -5.2255 3  348.6006 91  72503 303451431      441232        s-trans-Propenoic acid
  614414.9556  0.0053 -5.3044 3  227.2134 75  72503 30337 731      36 432        s-trans-Propenoic acid
  614449.8130  0.5417 -5.3129 3 1342.1239163  72503 303814536      804535        s-trans-Propenoic acid
  614449.8130  0.5417 -5.3129 3 1342.1239163  72503 303814537      804536        s-trans-Propenoic acid
  614504.9315  0.1311 -4.5301 3 1012.2451159  72503 303792753      782752        s-trans-Propenoic acid
  614507.4089  0.1311 -4.5301 3 1012.2451159  72503 303792752      782751        s-trans-Propenoic acid
  614525.8648  0.0274 -4.1528 3  390.2631 89  72503 303442124      432023        s-trans-Propenoic acid
  614525.8652  0.0274 -4.1528 3  390.2631 89  72503 303442123      432024        s-trans-Propenoic acid
  614576.6192  0.0080 -5.2740 3  297.3590 83  72503 303411329      401130        s-trans-Propenoic acid
  614637.5327  0.0253 -4.2072 3  404.3150 93  72503 303462027      451926        s-trans-Propenoic acid
  614637.5763  0.0253 -4.2072 3  404.3150 93  72503 303462026      451927        s-trans-Propenoic acid
  614702.1999  0.0205 -5.2319 3  352.9801 93  72503 303461234      451035        s-trans-Propenoic acid
  614779.7981  0.0070 -4.9938 3  287.5615 83  72503 303411131      40 832        s-trans-Propenoic acid
  614822.7265  0.0059 -5.4749 3  256.9719 79  72503 30339 931      38 732        s-trans-Propenoic acid
  614861.5490  0.0059 -5.1040 3  256.9706 79  72503 30339 931      38 632        s-trans-Propenoic acid
  614888.0205  0.5150 -5.2617 3 1321.8956163  72503 303814437      804436        s-trans-Propenoic acid
  614888.0205  0.5150 -5.2617 3 1321.8956163  72503 303814438      804437        s-trans-Propenoic acid
  614888.2502  0.1113 -5.1706 3  939.0596159  72503 303791961      781860        s-trans-Propenoic acid
  614891.8989  0.0166 -5.2940 3  324.8591 89  72503 303441133      43 934        s-trans-Propenoic acid
  614903.7377  0.0734 -3.9246 3  343.7327 63  72503 3033128 3      3027 4        s-trans-Propenoic acid
  614903.7377  0.0734 -3.9246 3  343.7327 63  72503 3033128 4      3027 3        s-trans-Propenoic acid
  614921.7029  0.0949 -5.1079 3  980.4547165  72503 303821666      811765        s-trans-Propenoic acid
  614927.0893  0.0950 -4.4228 3  980.4547165  72503 303821766      811765        s-trans-Propenoic acid
  614931.2231  0.0950 -4.4228 3  980.4544165  72503 303821666      811665        s-trans-Propenoic acid
  614936.6095  0.0951 -5.1079 3  980.4544165  72503 303821766      811665        s-trans-Propenoic acid
  614950.1563  0.0055 -5.1927 3  241.9709 77  72503 30338 731      37 632        s-trans-Propenoic acid
  614955.1073  0.0055 -5.5722 3  241.9708 77  72503 30338 731      37 532        s-trans-Propenoic acid
  615124.7940  0.0079 -5.4021 3  252.3663 73  72503 303361423      351224        s-trans-Propenoic acid
  615300.2735  0.2273 -4.7207 3 1096.4255161  72503 303803248      793247        s-trans-Propenoic acid
  615300.2735  0.2273 -4.7207 3 1096.4255161  72503 303803249      793248        s-trans-Propenoic acid
  615351.2345  0.4888 -5.2118 3 1302.1421163  72503 303814338      804337        s-trans-Propenoic acid
  615351.2345  0.4888 -5.2118 3 1302.1421163  72503 303814339      804338        s-trans-Propenoic acid
  615391.8798  0.0054 -5.5717 3  241.9709 77  72503 30338 831      37 632        s-trans-Propenoic acid
  615396.8309  0.0054 -5.1922 3  241.9708 77  72503 30338 831      37 532        s-trans-Propenoic acid
  615842.3155  0.4631 -5.1632 3 1282.8651163  72503 303814239      804238        s-trans-Propenoic acid
  615842.3155  0.4631 -5.1632 3 1282.8651163  72503 303814240      804239        s-trans-Propenoic acid
  615867.8228  0.0267 -4.4873 3  470.9220107  72503 303531736      521637        s-trans-Propenoic acid
  615983.7741  0.0110 -5.5790 3  215.1800 63  72503 303311516      301317        s-trans-Propenoic acid
  615985.6371  0.0110 -5.5790 3  215.1800 63  72503 303311517      301318        s-trans-Propenoic acid
  616127.6783  0.0921 -5.1415 3  970.4599163  72503 303811764      801863        s-trans-Propenoic acid
  616136.3387  0.0639 -3.9485 3  347.3963 67  72503 3033327 6      3226 7        s-trans-Propenoic acid
  616136.3387  0.0639 -3.9485 3  347.3963 67  72503 3033327 7      3226 6        s-trans-Propenoic acid
  616183.4295  0.0447 -4.2287 3  870.2998151  72503 303752055      742054        s-trans-Propenoic acid
  616212.3936  0.0933 -4.4067 3  970.4599163  72503 303811864      801863        s-trans-Propenoic acid
  616271.8456  0.0939 -4.4066 3  970.4551163  72503 303811764      801763        s-trans-Propenoic acid
  616356.5609  0.0952 -5.1412 3  970.4551163  72503 303811864      801763        s-trans-Propenoic acid
  616364.5441  0.4381 -5.1159 3 1264.0669163  72503 303814140      804139        s-trans-Propenoic acid
  616364.5441  0.4381 -5.1159 3 1264.0669163  72503 303814141      804140        s-trans-Propenoic acid
  616460.8175  0.2081 -4.6852 3 1082.5861161  72503 303803150      793149        s-trans-Propenoic acid
  616460.8178  0.2081 -4.6852 3 1082.5861161  72503 303803149      793148        s-trans-Propenoic acid
  616560.5652  0.1025 -4.2944 3  905.9662155  72503 303771958      761957        s-trans-Propenoic acid
  616574.4852  0.3378 -5.6038 3 1049.0135167  72503 303832162      822261        s-trans-Propenoic acid
  616736.2550  0.1145 -4.4998 3 1001.1943159  72503 303792654      782653        s-trans-Propenoic acid
  616757.1803  0.1144 -4.4997 3 1001.1952159  72503 303792653      782652        s-trans-Propenoic acid
  616921.7043  0.4135 -5.0698 3 1245.7496163  72503 303814041      804040        s-trans-Propenoic acid
  616921.7043  0.4135 -5.0698 3 1245.7496163  72503 303814042      804041        s-trans-Propenoic acid
  616944.5830  0.0693 -4.3911 3  951.5254157  72503 303782356      772355        s-trans-Propenoic acid
  616953.5968  0.0782 -5.1897 3  959.5701161  72503 303801862      791961        s-trans-Propenoic acid
  617343.9665  0.0554 -3.9751 3  352.5642 71  72503 3033526 9      342510        s-trans-Propenoic acid
  617343.9665  0.0554 -3.9751 3  352.5642 71  72503 303352610      3425 9        s-trans-Propenoic acid
  617415.0035  0.0205 -5.1653 3  382.2095 97  72503 303481335      471136        s-trans-Propenoic acid
  617518.1870  0.3895 -5.0250 3 1227.9160163  72503 303813942      803941        s-trans-Propenoic acid
  617518.1870  0.3895 -5.0250 3 1227.9160163  72503 303813943      803942        s-trans-Propenoic acid
  617740.6418  0.1468 -5.4281 3  997.7536163  72503 303812061      802160        s-trans-Propenoic acid
  617765.2901  0.1893 -4.6509 3 1069.2823161  72503 303803051      793050        s-trans-Propenoic acid
  617765.2943  0.1893 -4.6509 3 1069.2823161  72503 303803050      793049        s-trans-Propenoic acid
  618014.1298  0.0906 -4.3878 3  959.5701161  72503 303801962      791961        s-trans-Propenoic acid
  618120.2603  0.0147 -5.1178 3  399.2969 99  72503 303491435      481236        s-trans-Propenoic acid
  618159.1242  0.3660 -4.9814 3 1210.5691163  72503 303813843      803842        s-trans-Propenoic acid
  618159.1242  0.3660 -4.9814 3 1210.5691163  72503 303813844      803843        s-trans-Propenoic acid
  618214.6767  0.0650 -4.3497 3  935.1888157  72503 303782158      772157        s-trans-Propenoic acid
  618284.0489  0.1361 -4.5196 3 1069.6521191  72503 30395 491      94 490        s-trans-Propenoic acid
  618284.0489  0.1361 -4.9433 3 1069.6521191  72503 30395 491      94 590        s-trans-Propenoic acid
  618284.0489  0.1361 -4.9433 3 1069.6521191  72503 30395 591      94 490        s-trans-Propenoic acid
  618284.0489  0.1361 -4.5196 3 1069.6521191  72503 30395 591      94 590        s-trans-Propenoic acid
  618284.7395  0.1265 -4.5206 3 1067.0490189  72503 30394 589      93 588        s-trans-Propenoic acid
  618284.7395  0.1265 -4.9564 3 1067.0490189  72503 30394 589      93 688        s-trans-Propenoic acid
  618284.7395  0.1265 -4.9564 3 1067.0490189  72503 30394 689      93 588        s-trans-Propenoic acid
  618284.7395  0.1265 -4.5206 3 1067.0490189  72503 30394 689      93 688        s-trans-Propenoic acid
  618288.2675  0.1497 -4.5176 3 1071.7290193  72503 30396 393      95 392        s-trans-Propenoic acid
  618288.2675  0.1497 -4.9300 3 1071.7290193  72503 30396 393      95 492        s-trans-Propenoic acid
  618288.2675  0.1497 -4.9300 3 1071.7290193  72503 30396 493      95 392        s-trans-Propenoic acid
  618288.2675  0.1497 -4.5176 3 1071.7290193  72503 30396 493      95 492        s-trans-Propenoic acid
  618293.6748  0.1202 -4.5205 3 1063.9140187  72503 30393 687      92 686        s-trans-Propenoic acid
  618293.6748  0.1202 -4.9693 3 1063.9140187  72503 30393 687      92 786        s-trans-Propenoic acid
  618293.6748  0.1202 -4.9693 3 1063.9140187  72503 30393 787      92 686        s-trans-Propenoic acid
  618293.6748  0.1202 -4.5205 3 1063.9140187  72503 30393 787      92 786        s-trans-Propenoic acid
  618294.7135  0.1684 -4.5145 3 1073.2843195  72503 30397 295      96 294        s-trans-Propenoic acid
  618294.7135  0.1684 -4.9163 3 1073.2843195  72503 30397 295      96 394        s-trans-Propenoic acid
  618294.7135  0.1684 -4.9163 3 1073.2843195  72503 30397 395      96 294        s-trans-Propenoic acid
  618294.7135  0.1684 -4.5145 3 1073.2843195  72503 30397 395      96 394        s-trans-Propenoic acid
  618301.2092  0.1927 -4.5103 3 1074.3220197  72503 30398 197      97 196        s-trans-Propenoic acid
  618301.2092  0.1927 -4.9023 3 1074.3220197  72503 30398 197      97 296        s-trans-Propenoic acid
  618301.2092  0.1927 -4.9023 3 1074.3220197  72503 30398 297      97 196        s-trans-Propenoic acid
  618301.2092  0.1927 -4.5103 3 1074.3220197  72503 30398 297      97 296        s-trans-Propenoic acid
  618305.9701  0.2233 -4.5052 3 1074.8456199  72503 30399 099      98 098        s-trans-Propenoic acid
  618305.9701  0.2233 -4.8878 3 1074.8456199  72503 30399 099      98 198        s-trans-Propenoic acid
  618305.9701  0.2233 -4.8878 3 1074.8456199  72503 30399 199      98 098        s-trans-Propenoic acid
  618305.9701  0.2233 -4.5052 3 1074.8456199  72503 30399 199      98 198        s-trans-Propenoic acid
  618315.0467  0.1162 -4.5194 3 1060.2408185  72503 30392 785      91 784        s-trans-Propenoic acid
  618315.0467  0.1162 -4.9821 3 1060.2408185  72503 30392 785      91 884        s-trans-Propenoic acid
  618315.0467  0.1162 -4.9821 3 1060.2408185  72503 30392 885      91 784        s-trans-Propenoic acid
  618315.0467  0.1162 -4.5194 3 1060.2408185  72503 30392 885      91 884        s-trans-Propenoic acid
  618354.1869  0.1137 -4.5171 3 1056.0218183  72503 30391 883      90 882        s-trans-Propenoic acid
  618354.1869  0.1137 -4.9949 3 1056.0218183  72503 30391 883      90 982        s-trans-Propenoic acid
  618354.1869  0.1137 -4.9949 3 1056.0218183  72503 30391 983      90 882        s-trans-Propenoic acid
  618354.1869  0.1137 -4.5171 3 1056.0218183  72503 30391 983      90 982        s-trans-Propenoic acid
  618354.1905  0.0269 -4.3745 3  450.6994103  72503 303511834      501733        s-trans-Propenoic acid
  618417.9678  0.1120 -4.5136 3 1051.2479181  72503 30390 981      89 980        s-trans-Propenoic acid
  618417.9678  0.1120 -5.0079 3 1051.2479181  72503 30390 981      891080        s-trans-Propenoic acid
  618417.9678  0.1120 -5.0079 3 1051.2479181  72503 303901081      89 980        s-trans-Propenoic acid
  618417.9678  0.1120 -4.5136 3 1051.2479181  72503 303901081      891080        s-trans-Propenoic acid
  618507.0276  0.0478 -4.0048 3  359.2477 75  72503 303372512      362413        s-trans-Propenoic acid
  618507.0276  0.0478 -4.0048 3  359.2477 75  72503 303372513      362412        s-trans-Propenoic acid
  618515.3867  0.1107 -4.5090 3 1045.9083179  72503 303891079      881078        s-trans-Propenoic acid
  618515.3867  0.1107 -5.0213 3 1045.9083179  72503 303891079      881178        s-trans-Propenoic acid
  618515.3867  0.1107 -5.0213 3 1045.9083179  72503 303891179      881078        s-trans-Propenoic acid
  618515.3867  0.1107 -4.5090 3 1045.9083179  72503 303891179      881178        s-trans-Propenoic acid
  618626.3145  0.0268 -4.3742 3  450.6919103  72503 303511833      501734        s-trans-Propenoic acid
  618633.7767  0.0082 -5.3805 3  261.8057 75  72503 303371423      361224        s-trans-Propenoic acid
  618658.4396  0.1095 -4.5031 3 1039.9897177  72503 303881177      871176        s-trans-Propenoic acid
  618658.4396  0.1095 -5.0353 3 1039.9897177  72503 303881177      871276        s-trans-Propenoic acid
  618658.4396  0.1095 -5.0353 3 1039.9897177  72503 303881277      871176        s-trans-Propenoic acid
  618658.4396  0.1095 -4.5031 3 1039.9897177  72503 303881277      871276        s-trans-Propenoic acid
  618673.4122  0.0965 -4.3868 3  959.5127161  72503 303801862      791861        s-trans-Propenoic acid
  618758.0474  0.0182 -5.2545 3  336.5862 89  72503 303441430      431231        s-trans-Propenoic acid
  618850.5600  0.3431 -4.9390 3 1193.7123163  72503 303813744      803743        s-trans-Propenoic acid
  618850.5600  0.3431 -4.9390 3 1193.7123163  72503 303813745      803744        s-trans-Propenoic acid
  618863.4789  0.1081 -4.4959 3 1033.4760175  72503 303871275      861274        s-trans-Propenoic acid
  618863.4789  0.1081 -5.0501 3 1033.4760175  72503 303871275      861374        s-trans-Propenoic acid
  618863.4789  0.1081 -5.0501 3 1033.4760175  72503 303871375      861274        s-trans-Propenoic acid
  618863.4789  0.1081 -4.4959 3 1033.4760175  72503 303871375      861374        s-trans-Propenoic acid
  618946.2809  0.0074 -5.2799 3  303.2029 85  72503 303421231      411032        s-trans-Propenoic acid
  619072.9082  0.0674 -4.3319 3  923.3123155  72503 303772255      762254        s-trans-Propenoic acid
  619115.0970  0.0625 -4.3673 3  943.1276157  72503 303782257      772256        s-trans-Propenoic acid
  619153.4083  0.1066 -5.0662 3 1026.3470173  72503 303861373      851472        s-trans-Propenoic acid
  619153.4085  0.1066 -4.4873 3 1026.3470173  72503 303861473      851472        s-trans-Propenoic acid
  619153.4087  0.1066 -4.4873 3 1026.3470173  72503 303861373      851372        s-trans-Propenoic acid
  619153.4090  0.1066 -5.0662 3 1026.3470173  72503 303861473      851372        s-trans-Propenoic acid
  619246.7911  0.1709 -4.6176 3 1056.5277161  72503 303802952      792951        s-trans-Propenoic acid
  619246.8396  0.1709 -4.6176 3 1056.5277161  72503 303802951      792950        s-trans-Propenoic acid
  619289.6073  0.0399 -5.2823 3  968.3973161  72503 303801961      792060        s-trans-Propenoic acid
  619418.3282  0.0983 -4.4704 3  990.7916159  72503 303792555      782554        s-trans-Propenoic acid
  619561.4267  0.1049 -5.0842 3 1018.5770171  72503 303851471      841570        s-trans-Propenoic acid
  619561.4332  0.1049 -4.4772 3 1018.5770171  72503 303851571      841570        s-trans-Propenoic acid
  619561.4389  0.1049 -4.4772 3 1018.5770171  72503 303851471      841470        s-trans-Propenoic acid
  619561.4454  0.1049 -5.0842 3 1018.5770171  72503 303851571      841470        s-trans-Propenoic acid
  619571.9356  0.0977 -4.4702 3  990.7984159  72503 303792554      782553        s-trans-Propenoic acid
  619595.5480  0.0412 -4.0381 3  367.4614 79  72503 303392415      382316        s-trans-Propenoic acid
  619595.5480  0.0412 -4.0381 3  367.4614 79  72503 303392416      382315        s-trans-Propenoic acid
  619599.6771  0.3206 -4.8978 3 1177.3498163  72503 303813645      803644        s-trans-Propenoic acid
  619599.6771  0.3206 -4.8978 3 1177.3498163  72503 303813646      803645        s-trans-Propenoic acid
  619664.4579  0.0816 -4.3671 3  947.7275159  72503 303792060      782059        s-trans-Propenoic acid
  619733.9451  0.1093 -5.1856 3  959.5127161  72503 303801962      791861        s-trans-Propenoic acid
  619748.7258  0.0653 -4.2758 3  896.1860153  72503 303762155      752154        s-trans-Propenoic acid
  619893.5940  0.7432 -5.6681 3 1493.8037165  72503 303825131      815130        s-trans-Propenoic acid
  619893.5940  0.7432 -5.6681 3 1493.8037165  72503 303825132      815131        s-trans-Propenoic acid
  620031.6730  0.0666 -4.3871 3  951.6985157  72503 303782355      772354        s-trans-Propenoic acid
  620137.7176  0.1031 -5.1049 3 1010.1322169  72503 303841569      831668        s-trans-Propenoic acid
  620137.8707  0.1031 -4.4655 3 1010.1322169  72503 303841669      831668        s-trans-Propenoic acid
  620137.9982  0.1031 -4.4655 3 1010.1322169  72503 303841569      831568        s-trans-Propenoic acid
  620138.1513  0.1031 -5.1049 3 1010.1322169  72503 303841669      831568        s-trans-Propenoic acid
  620235.7379  0.7118 -5.6091 3 1470.7673165  72503 303825032      815031        s-trans-Propenoic acid
  620235.7379  0.7118 -5.6091 3 1470.7673165  72503 303825033      815032        s-trans-Propenoic acid
  620337.0124  0.0081 -5.3787 3  261.7477 75  72503 303371424      361225        s-trans-Propenoic acid
  620409.3692  0.0227 -4.6272 3  478.8280109  72503 303541638      531539        s-trans-Propenoic acid
  620415.0981  0.2987 -4.8579 3 1161.4862163  72503 303813546      803545        s-trans-Propenoic acid
  620415.0981  0.2987 -4.8579 3 1161.4862163  72503 303813547      803546        s-trans-Propenoic acid
  620487.0549  0.1088 -4.3267 3  926.5324157  72503 303781959      771958        s-trans-Propenoic acid
  620563.5187  0.0357 -4.0757 3  377.2248 83  72503 303412318      402219        s-trans-Propenoic acid
  620563.5187  0.0357 -4.0757 3  377.2248 83  72503 303412319      402218        s-trans-Propenoic acid
  620592.1657  0.6810 -5.5516 3 1448.1984165  72503 303824933      814932        s-trans-Propenoic acid
  620592.1657  0.6810 -5.5516 3 1448.1984165  72503 303824934      814933        s-trans-Propenoic acid
  620905.8851  0.0263 -4.2905 3  432.4813 99  72503 303491931      481830        s-trans-Propenoic acid
  620912.5688  0.0263 -4.2905 3  432.4811 99  72503 303491930      481831        s-trans-Propenoic acid
  620950.9908  0.1529 -4.5854 3 1044.3402161  72503 303802853      792852        s-trans-Propenoic acid
  620951.4907  0.1528 -4.5854 3 1044.3402161  72503 303802852      792851        s-trans-Propenoic acid
  620960.0202  0.1012 -5.1297 3 1000.9665167  72503 303831667      821766        s-trans-Propenoic acid
  620963.0500  0.1012 -4.4518 3 1000.9665167  72503 303831767      821766        s-trans-Propenoic acid
  620964.3165  0.6508 -5.4954 3 1426.0980165  72503 303824834      814833        s-trans-Propenoic acid
  620964.3165  0.6508 -5.4954 3 1426.0980165  72503 303824835      814834        s-trans-Propenoic acid
  620965.4066  0.1012 -4.4518 3 1000.9663167  72503 303831667      821666        s-trans-Propenoic acid
  620968.4363  0.1013 -5.1297 3 1000.9663167  72503 303831767      821666        s-trans-Propenoic acid
  621185.4395  0.0833 -3.9092 3  348.8703 61  72503 3033029 1      2928 2        s-trans-Propenoic acid
  621185.4395  0.0833 -3.9092 3  348.8703 61  72503 3033029 2      2928 1        s-trans-Propenoic acid
  621307.2963  0.2772 -4.8191 3 1146.1270163  72503 303813447      803446        s-trans-Propenoic acid
  621307.2963  0.2772 -4.8191 3 1146.1270163  72503 303813448      803447        s-trans-Propenoic acid
  621339.3335  0.0314 -4.1182 3  388.5640 87  72503 303432221      422122        s-trans-Propenoic acid
  621339.3335  0.0314 -4.1182 3  388.5640 87  72503 303432222      422121        s-trans-Propenoic acid
  621353.8011  0.6212 -5.4406 3 1404.4672165  72503 303824735      814734        s-trans-Propenoic acid
  621353.8011  0.6212 -5.4406 3 1404.4672165  72503 303824736      814735        s-trans-Propenoic acid
  621762.4288  0.5922 -5.3871 3 1383.3073165  72503 303824636      814635        s-trans-Propenoic acid
  621762.4288  0.5922 -5.3871 3 1383.3073165  72503 303824637      814636        s-trans-Propenoic acid
  621779.8447  0.0268 -4.2233 3  416.1286 95  72503 303472028      461927        s-trans-Propenoic acid
  621779.9463  0.0268 -4.2233 3  416.1286 95  72503 303472027      461928        s-trans-Propenoic acid
  621808.5454  0.0284 -4.1669 3  401.5149 91  72503 303452125      442024        s-trans-Propenoic acid
  621808.5464  0.0284 -4.1669 3  401.5149 91  72503 303452124      442025        s-trans-Propenoic acid
  622117.2549  0.0987 -5.1610 3  991.0145165  72503 303821765      811864        s-trans-Propenoic acid
  622166.6643  0.0995 -4.4359 3  991.0145165  72503 303821865      811864        s-trans-Propenoic acid
  622190.9184  0.2392 -5.0840 3  781.1487143  72503 303711953      701852        s-trans-Propenoic acid
  622192.2396  0.5637 -5.3349 3 1362.6198165  72503 303824537      814536        s-trans-Propenoic acid
  622192.2396  0.5637 -5.3349 3 1362.6198165  72503 303824538      814537        s-trans-Propenoic acid
  622201.9702  0.0999 -4.4358 3  991.0117165  72503 303821765      811764        s-trans-Propenoic acid
  622251.3795  0.1007 -5.1608 3  991.0117165  72503 303821865      811764        s-trans-Propenoic acid
  622289.1691  0.2562 -4.7814 3 1131.2789163  72503 303813348      803347        s-trans-Propenoic acid
  622289.1691  0.2562 -4.7814 3 1131.2789163  72503 303813349      803348        s-trans-Propenoic acid
  622390.2426  0.0087 -5.3598 3  271.5122 77  72503 303381424      371225        s-trans-Propenoic acid
  622427.3105  0.0730 -3.9313 3  351.5498 65  72503 3033228 4      3127 5        s-trans-Propenoic acid
  622427.3105  0.0730 -3.9313 3  351.5498 65  72503 3033228 5      3127 4        s-trans-Propenoic acid
  622481.7819  0.0107 -5.5458 3  223.1421 65  72503 303321517      311318        s-trans-Propenoic acid
  622486.1715  0.0107 -5.5458 3  223.1419 65  72503 303321518      311319        s-trans-Propenoic acid
  622567.5094  0.0834 -4.4420 3  981.0843159  72503 303792456      782455        s-trans-Propenoic acid
  622645.5426  0.5358 -5.2841 3 1342.4061165  72503 303824438      814437        s-trans-Propenoic acid
  622645.5426  0.5358 -5.2841 3 1342.4061165  72503 303824439      814438        s-trans-Propenoic acid
  622811.1165  0.0161 -5.2769 3  324.8929 87  72503 303431429      421230        s-trans-Propenoic acid
  622942.8785  0.1351 -4.5543 3 1032.7427161  72503 303802754      792753        s-trans-Propenoic acid
  622947.4708  0.1350 -4.5543 3 1032.7429161  72503 303802753      792752        s-trans-Propenoic acid
  623101.2429  0.1543 -4.9006 3  648.3523129  72503 303641847      631746        s-trans-Propenoic acid
  623124.9628  0.5085 -5.2345 3 1322.6680165  72503 303824339      814338        s-trans-Propenoic acid
  623124.9628  0.5085 -5.2345 3 1322.6680165  72503 303824340      814339        s-trans-Propenoic acid
  623193.3667  0.0283 -4.5203 3  484.8592109  72503 303541737      531638        s-trans-Propenoic acid
  623242.2118  0.0888 -5.2045 3  980.1848163  72503 303811863      801962        s-trans-Propenoic acid
  623376.8593  0.2357 -4.7450 3 1116.9497163  72503 303813249      803248        s-trans-Propenoic acid
  623376.8593  0.2357 -4.7450 3 1116.9497163  72503 303813250      803249        s-trans-Propenoic acid
  623518.7476  0.0806 -4.4408 3  981.1319159  72503 303792455      782454        s-trans-Propenoic acid
  623545.6141  0.0082 -5.2639 3  308.0683 85  72503 303421330      411131        s-trans-Propenoic acid
  623633.4983  0.4818 -5.1862 3 1303.4074165  72503 303824240      814239        s-trans-Propenoic acid
  623633.4983  0.4818 -5.1862 3 1303.4074165  72503 303824241      814240        s-trans-Propenoic acid
  623653.6269  0.0636 -3.9559 3  355.7274 69  72503 3033427 7      3326 8        s-trans-Propenoic acid
  623653.6269  0.0636 -3.9559 3  355.7274 69  72503 3033427 8      3326 7        s-trans-Propenoic acid
  623889.3833  0.0972 -4.4172 3  980.1848163  72503 303811963      801962        s-trans-Propenoic acid
  623950.3143  0.0514 -4.2549 3  890.8534153  72503 303762056      752055        s-trans-Propenoic acid
  624071.2970  0.4625 -5.6633 3 1151.3278141  72503 303704624      704525        s-trans-Propenoic acid
  624071.2970  0.4625 -5.6633 3 1151.3278141  72503 303704625      704526        s-trans-Propenoic acid
  624174.5918  0.4556 -5.1391 3 1284.6266165  72503 303824141      814140        s-trans-Propenoic acid
  624174.5918  0.4556 -5.1391 3 1284.6266165  72503 303824142      814141        s-trans-Propenoic acid
  624302.7447  0.1013 -4.4166 3  980.1494163  72503 303811863      801862        s-trans-Propenoic acid
  624354.3728  0.4529 -5.6420 3 1133.6605139  72503 303694623      694524        s-trans-Propenoic acid
  624354.3728  0.4529 -5.6420 3 1133.6605139  72503 303694624      694525        s-trans-Propenoic acid
  624468.1277  0.1445 -4.5495 3 1090.2759193  72503 30396 492      95 491        s-trans-Propenoic acid
  624468.1277  0.1445 -4.9727 3 1090.2759193  72503 30396 492      95 591        s-trans-Propenoic acid
  624468.1277  0.1445 -4.9727 3 1090.2759193  72503 30396 592      95 491        s-trans-Propenoic acid
  624468.1277  0.1445 -4.5495 3 1090.2759193  72503 30396 592      95 591        s-trans-Propenoic acid
  624468.2066  0.1344 -4.5504 3 1087.6727191  72503 30395 590      94 589        s-trans-Propenoic acid
  624468.2066  0.1344 -4.9855 3 1087.6727191  72503 30395 590      94 689        s-trans-Propenoic acid
  624468.2066  0.1344 -4.9855 3 1087.6727191  72503 30395 690      94 589        s-trans-Propenoic acid
  624468.2066  0.1344 -4.5504 3 1087.6727191  72503 30395 690      94 689        s-trans-Propenoic acid
  624472.7177  0.1590 -4.5475 3 1092.3529195  72503 30397 394      96 393        s-trans-Propenoic acid
  624472.7177  0.1590 -4.9596 3 1092.3529195  72503 30397 394      96 493        s-trans-Propenoic acid
  624472.7177  0.1590 -4.9596 3 1092.3529195  72503 30397 494      96 393        s-trans-Propenoic acid
  624472.7177  0.1590 -4.5475 3 1092.3529195  72503 30397 494      96 493        s-trans-Propenoic acid
  624476.1916  0.1276 -4.5503 3 1084.5381189  72503 30394 688      93 687        s-trans-Propenoic acid
  624476.1916  0.1276 -4.9982 3 1084.5381189  72503 30394 688      93 787        s-trans-Propenoic acid
  624476.1916  0.1276 -4.9982 3 1084.5381189  72503 30394 788      93 687        s-trans-Propenoic acid
  624476.1916  0.1276 -4.5503 3 1084.5381189  72503 30394 788      93 787        s-trans-Propenoic acid
  624479.3653  0.1787 -4.5445 3 1093.9084197  72503 30398 296      97 295        s-trans-Propenoic acid
  624479.3653  0.1787 -4.9461 3 1093.9084197  72503 30398 296      97 395        s-trans-Propenoic acid
  624479.3653  0.1787 -4.9461 3 1093.9084197  72503 30398 396      97 295        s-trans-Propenoic acid
  624479.3653  0.1787 -4.5445 3 1093.9084197  72503 30398 396      97 395        s-trans-Propenoic acid
  624485.9444  0.2042 -4.5404 3 1094.9463199  72503 30399 198      98 197        s-trans-Propenoic acid
  624485.9444  0.2042 -4.9322 3 1094.9463199  72503 30399 198      98 297        s-trans-Propenoic acid
  624485.9444  0.2042 -4.9322 3 1094.9463199  72503 30399 298      98 197        s-trans-Propenoic acid
  624485.9444  0.2042 -4.5404 3 1094.9463199  72503 30399 298      98 297        s-trans-Propenoic acid
  624490.7074  0.2362 -4.5354 3 1095.4700201  72503 303A0 0A0      99 099        s-trans-Propenoic acid
  624490.7074  0.2362 -4.9179 3 1095.4700201  72503 303A0 0A0      99 199        s-trans-Propenoic acid
  624490.7074  0.2362 -4.9179 3 1095.4700201  72503 303A0 1A0      99 099        s-trans-Propenoic acid
  624490.7074  0.2362 -4.5354 3 1095.4700201  72503 303A0 1A0      99 199        s-trans-Propenoic acid
  624496.1384  0.1233 -4.5491 3 1080.8656187  72503 30393 786      92 785        s-trans-Propenoic acid
  624496.1384  0.1233 -5.0107 3 1080.8656187  72503 30393 786      92 885        s-trans-Propenoic acid
  624496.1384  0.1233 -5.0107 3 1080.8656187  72503 30393 886      92 785        s-trans-Propenoic acid
  624496.1384  0.1233 -4.5491 3 1080.8656187  72503 30393 886      92 885        s-trans-Propenoic acid
  624533.1873  0.1206 -4.5467 3 1076.6479185  72503 30392 884      91 883        s-trans-Propenoic acid
  624533.1873  0.1206 -5.0232 3 1076.6479185  72503 30392 884      91 983        s-trans-Propenoic acid
  624533.1873  0.1206 -5.0232 3 1076.6479185  72503 30392 984      91 883        s-trans-Propenoic acid
  624533.1873  0.1206 -4.5467 3 1076.6479185  72503 30392 984      91 983        s-trans-Propenoic acid
  624590.9704  0.2156 -4.7097 3 1103.1490163  72503 303813151      803150        s-trans-Propenoic acid
  624590.9711  0.2156 -4.7097 3 1103.1490163  72503 303813150      803149        s-trans-Propenoic acid
  624593.9384  0.1188 -4.5432 3 1071.8761183  72503 30391 982      90 981        s-trans-Propenoic acid
  624593.9384  0.1188 -5.0359 3 1071.8761183  72503 30391 982      901081        s-trans-Propenoic acid
  624593.9384  0.1188 -5.0359 3 1071.8761183  72503 303911082      90 981        s-trans-Propenoic acid
  624593.9384  0.1188 -4.5432 3 1071.8761183  72503 303911082      901081        s-trans-Propenoic acid
  624602.7969  0.0295 -4.3993 3  463.9969105  72503 303521835      511734        s-trans-Propenoic acid
  624627.2484  0.4443 -5.6220 3 1116.2492137  72503 303684622      684523        s-trans-Propenoic acid
  624627.2484  0.4443 -5.6220 3 1116.2492137  72503 303684623      684524        s-trans-Propenoic acid
  624677.6943  0.1123 -4.3588 3  947.2296159  72503 303791960      781959        s-trans-Propenoic acid
  624686.9952  0.1174 -4.5385 3 1066.5397181  72503 303901080      891079        s-trans-Propenoic acid
  624686.9952  0.1174 -5.0489 3 1066.5397181  72503 303901080      891179        s-trans-Propenoic acid
  624686.9952  0.1174 -5.0489 3 1066.5397181  72503 303901180      891079        s-trans-Propenoic acid
  624686.9952  0.1174 -4.5385 3 1066.5397181  72503 303901180      891179        s-trans-Propenoic acid
  624752.2192  0.4300 -5.0933 3 1266.3279165  72503 303824042      814041        s-trans-Propenoic acid
  624752.2192  0.4300 -5.0933 3 1266.3279165  72503 303824043      814042        s-trans-Propenoic acid
  624823.7725  0.1161 -4.5326 3 1060.6259179  72503 303891178      881177        s-trans-Propenoic acid
  624823.7725  0.1161 -5.0624 3 1060.6259179  72503 303891178      881277        s-trans-Propenoic acid
  624823.7725  0.1161 -5.0624 3 1060.6259179  72503 303891278      881177        s-trans-Propenoic acid
  624823.7725  0.1161 -4.5326 3 1060.6259179  72503 303891278      881277        s-trans-Propenoic acid
  624843.8821  0.0077 -4.9995 3  303.0062 85  72503 303421231      41 932        s-trans-Propenoic acid
  624850.1683  0.0552 -3.9834 3  361.4124 73  72503 303362610      352511        s-trans-Propenoic acid
  624850.1683  0.0552 -3.9834 3  361.4124 73  72503 303362611      352510        s-trans-Propenoic acid
  624890.2051  0.4364 -5.6033 3 1099.0938135  72503 303674621      674522        s-trans-Propenoic acid
  624890.2051  0.4364 -5.6033 3 1099.0938135  72503 303674622      674523        s-trans-Propenoic acid
  624949.9163  0.1098 -5.2020 3  980.1494163  72503 303811963      801862        s-trans-Propenoic acid
  625019.7404  0.1148 -4.5254 3 1054.1190177  72503 303881276      871275        s-trans-Propenoic acid
  625019.7404  0.1148 -5.0767 3 1054.1190177  72503 303881276      871375        s-trans-Propenoic acid
  625019.7404  0.1148 -5.0767 3 1054.1190177  72503 303881376      871275        s-trans-Propenoic acid
  625019.7404  0.1148 -4.5254 3 1054.1190177  72503 303881376      871375        s-trans-Propenoic acid
  625109.0524  0.0292 -4.3986 3  463.9829105  72503 303521834      511735        s-trans-Propenoic acid
  625143.5185  0.4293 -5.5859 3 1082.1943133  72503 303664620      664521        s-trans-Propenoic acid
  625143.5185  0.4293 -5.5859 3 1082.1943133  72503 303664621      664522        s-trans-Propenoic acid
  625239.4139  0.0094 -5.3412 3  281.5269 79  72503 303391425      381226        s-trans-Propenoic acid
  625296.4164  0.1133 -5.0921 3 1046.9997175  72503 303871374      861473        s-trans-Propenoic acid
  625296.4165  0.1133 -4.5168 3 1046.9997175  72503 303871474      861473        s-trans-Propenoic acid
  625296.4166  0.1133 -4.5168 3 1046.9997175  72503 303871374      861373        s-trans-Propenoic acid
  625296.4167  0.1133 -5.0921 3 1046.9997175  72503 303871474      861373        s-trans-Propenoic acid
  625308.7864  0.0727 -4.3771 3  955.8102159  72503 303792159      782158        s-trans-Propenoic acid
  625313.5411  0.1176 -4.5241 3 1021.7665161  72503 303802655      792654        s-trans-Propenoic acid
  625350.7252  0.1174 -4.5241 3 1021.7680161  72503 303802654      792653        s-trans-Propenoic acid
  625371.0012  0.4049 -5.0487 3 1248.5142165  72503 303823943      813942        s-trans-Propenoic acid
  625371.0012  0.4049 -5.0487 3 1248.5142165  72503 303823944      813943        s-trans-Propenoic acid
  625387.4584  0.4230 -5.5700 3 1065.5503131  72503 303654619      654520        s-trans-Propenoic acid
  625387.4584  0.4230 -5.5700 3 1065.5503131  72503 303654620      654521        s-trans-Propenoic acid
  625406.8533  0.0083 -5.3568 3  271.4091 77  72503 303381425      371226        s-trans-Propenoic acid
  625622.2891  0.4174 -5.5556 3 1049.1618129  72503 303644618      644519        s-trans-Propenoic acid
  625622.2891  0.4174 -5.5556 3 1049.1618129  72503 303644619      644520        s-trans-Propenoic acid
  625684.7230  0.1116 -5.1093 3 1039.2433173  72503 303861472      851571        s-trans-Propenoic acid
  625684.7264  0.1116 -4.5067 3 1039.2433173  72503 303861572      851571        s-trans-Propenoic acid
  625684.7295  0.1116 -4.5067 3 1039.2433173  72503 303861472      851471        s-trans-Propenoic acid
  625684.7329  0.1116 -5.1093 3 1039.2433173  72503 303861572      851471        s-trans-Propenoic acid
  625703.1357  0.0717 -4.4154 3  972.1045159  72503 303792357      782356        s-trans-Propenoic acid
  625745.9043  0.0140 -5.2943 3  313.5381 85  72503 303421428      411229        s-trans-Propenoic acid
  625749.8911  0.0898 -4.3962 3  968.3973161  72503 303802061      792060        s-trans-Propenoic acid
  625848.2695  0.4125 -5.5430 3 1033.0286127  72503 303634617      634518        s-trans-Propenoic acid
  625848.2695  0.4125 -5.5430 3 1033.0286127  72503 303634618      634519        s-trans-Propenoic acid
  625958.4343  0.1960 -4.6755 3 1089.8887163  72503 303813052      803051        s-trans-Propenoic acid
  625958.4430  0.1960 -4.6755 3 1089.8887163  72503 303813051      803050        s-trans-Propenoic acid
  625995.2079  0.0478 -4.0140 3  368.6168 77  72503 303382513      372414        s-trans-Propenoic acid
  625995.2079  0.0478 -4.0140 3  368.6168 77  72503 303382514      372413        s-trans-Propenoic acid
  626036.3472  0.3804 -5.0053 3 1231.1886165  72503 303823844      813843        s-trans-Propenoic acid
  626036.3472  0.3804 -5.0053 3 1231.1886165  72503 303823845      813844        s-trans-Propenoic acid
  626065.6529  0.4081 -5.5321 3 1017.1505125  72503 303624616      624517        s-trans-Propenoic acid
  626065.6529  0.4081 -5.5321 3 1017.1505125  72503 303624617      624518        s-trans-Propenoic acid
  626230.9428  0.1097 -5.1290 3 1030.8177171  72503 303851570      841669        s-trans-Propenoic acid
  626231.0259  0.1097 -4.4949 3 1030.8177171  72503 303851670      841669        s-trans-Propenoic acid
  626231.0959  0.1097 -4.4949 3 1030.8177171  72503 303851570      841569        s-trans-Propenoic acid
  626231.1790  0.1097 -5.1290 3 1030.8177171  72503 303851670      841569        s-trans-Propenoic acid
  626274.6879  0.4043 -5.5232 3 1001.5274123  72503 303614615      614516        s-trans-Propenoic acid
  626274.6879  0.4043 -5.5232 3 1001.5274123  72503 303614616      614517        s-trans-Propenoic acid
  626475.6175  0.4009 -5.5164 3  986.1592121  72503 303604614      604515        s-trans-Propenoic acid
  626475.6175  0.4009 -5.5164 3  986.1592121  72503 303604615      604516        s-trans-Propenoic acid
  626668.6802  0.3981 -5.5121 3  971.0458119  72503 303594613      594514        s-trans-Propenoic acid
  626668.6802  0.3981 -5.5121 3  971.0458119  72503 303594614      594515        s-trans-Propenoic acid
  626754.6415  0.3564 -4.9632 3 1214.3550165  72503 303823745      813744        s-trans-Propenoic acid
  626754.6415  0.3564 -4.9632 3 1214.3550165  72503 303823746      813745        s-trans-Propenoic acid
  626854.1093  0.3956 -5.5104 3  956.1869117  72503 303584612      584513        s-trans-Propenoic acid
  626854.1093  0.3956 -5.5104 3  956.1869117  72503 303584613      584514        s-trans-Propenoic acid
  626911.2087  0.0105 -5.3246 3  291.8617 81  72503 303401426      391227        s-trans-Propenoic acid
  627006.7810  0.1077 -5.1524 3 1021.6796169  72503 303841668      831767        s-trans-Propenoic acid
  627008.4757  0.1078 -4.4813 3 1021.6796169  72503 303841768      831767        s-trans-Propenoic acid
  627009.8107  0.1078 -4.4813 3 1021.6795169  72503 303841668      831667        s-trans-Propenoic acid
  627011.5054  0.1078 -5.1524 3 1021.6795169  72503 303841768      831667        s-trans-Propenoic acid
  627032.1334  0.3936 -5.5117 3  941.5824115  72503 303574611      574512        s-trans-Propenoic acid
  627032.1334  0.3936 -5.5117 3  941.5824115  72503 303574612      574513        s-trans-Propenoic acid
  627032.7374  0.0079 -5.0458 3  282.0906 83  72503 30341 932      40 833        s-trans-Propenoic acid
  627055.6736  0.0414 -4.0485 3  377.3563 81  72503 303402416      392317        s-trans-Propenoic acid
  627055.6736  0.0414 -4.0485 3  377.3563 81  72503 303402417      392316        s-trans-Propenoic acid
  627062.6269  0.0064 -5.6442 3  206.2968 73  72503 30336 432      35 333        s-trans-Propenoic acid
  627063.1389  0.0064 -5.6442 3  206.2968 73  72503 30336 532      35 233        s-trans-Propenoic acid
  627136.2229  0.0120 -5.3095 3  302.5288 83  72503 303411427      401228        s-trans-Propenoic acid
  627173.5531  0.0079 -5.4079 3  282.0859 83  72503 30341 932      40 733        s-trans-Propenoic acid
  627202.9764  0.3919 -5.5165 3  927.2323113  72503 303564610      564511        s-trans-Propenoic acid
  627202.9764  0.3919 -5.5165 3  927.2323113  72503 303564611      564512        s-trans-Propenoic acid
  627265.7005  0.0670 -4.3929 3  963.7791159  72503 303792258      782257        s-trans-Propenoic acid
  627366.8578  0.3904 -5.5254 3  913.1364111  72503 3035546 9      554510        s-trans-Propenoic acid
  627366.8578  0.3904 -5.5254 3  913.1364111  72503 303554610      554511        s-trans-Propenoic acid
  627515.5008  0.1766 -4.6424 3 1077.1836163  72503 303812953      802952        s-trans-Propenoic acid
  627515.5967  0.1766 -4.6424 3 1077.1836163  72503 303812952      802951        s-trans-Propenoic acid
  627523.9922  0.3893 -5.5390 3  899.2945109  72503 3035446 8      5445 9        s-trans-Propenoic acid
  627523.9922  0.3893 -5.5390 3  899.2945109  72503 3035446 9      544510        s-trans-Propenoic acid
  627533.4880  0.3330 -4.9222 3 1198.0174165  72503 303823646      813645        s-trans-Propenoic acid
  627533.4880  0.3330 -4.9222 3 1198.0174165  72503 303823647      813646        s-trans-Propenoic acid
  627589.4931  0.0551 -5.2873 3  989.2701163  72503 303811962      802061        s-trans-Propenoic acid
  627638.1073  0.0324 -4.7437 3  459.1114107  72503 303531538      521439        s-trans-Propenoic acid
  627662.3101  0.0348 -4.8213 3  426.4736103  72503 303511437      501338        s-trans-Propenoic acid
  627674.5899  0.3884 -5.5585 3  885.7065107  72503 3035346 7      5345 8        s-trans-Propenoic acid
  627674.5899  0.3884 -5.5585 3  885.7065107  72503 3035346 8      5345 9        s-trans-Propenoic acid
  627745.8385  0.0285 -4.3105 3  445.1523101  72503 303501932      491831        s-trans-Propenoic acid
  627759.5985  0.0284 -4.3105 3  445.1520101  72503 303501931      491832        s-trans-Propenoic acid
  627818.8569  0.3878 -5.5852 3  872.3723105  72503 3035246 6      5245 7        s-trans-Propenoic acid
  627818.8569  0.3878 -5.5852 3  872.3723105  72503 3035246 7      5245 8        s-trans-Propenoic acid
  627920.1575  0.7406 -5.6304 3 1491.4562167  72503 303835033      825032        s-trans-Propenoic acid
  627920.1575  0.7406 -5.6304 3 1491.4562167  72503 303835034      825033        s-trans-Propenoic acid
  627956.9948  0.3873 -5.6213 3  859.2919103  72503 3035146 5      5145 6        s-trans-Propenoic acid
  627956.9948  0.3873 -5.6213 3  859.2919103  72503 3035146 6      5145 7        s-trans-Propenoic acid
  627980.9171  0.0362 -4.0873 3  387.6517 85  72503 303422319      412220        s-trans-Propenoic acid
  627980.9171  0.0362 -4.0873 3  387.6517 85  72503 303422320      412219        s-trans-Propenoic acid
  628107.4626  0.1055 -5.1816 3 1011.7678167  72503 303831766      821865        s-trans-Propenoic acid
  628136.0778  0.1060 -4.4655 3 1011.7678167  72503 303831866      821865        s-trans-Propenoic acid
  628156.8720  0.1062 -4.4655 3 1011.7661167  72503 303831766      821765        s-trans-Propenoic acid
  628160.5125  0.1006 -4.4949 3 1011.4532161  72503 303802556      792555        s-trans-Propenoic acid
  628185.4872  0.1067 -5.1815 3 1011.7661167  72503 303831866      821765        s-trans-Propenoic acid
  628287.8861  0.7085 -5.5732 3 1468.8991167  72503 303834934      824933        s-trans-Propenoic acid
  628287.8861  0.7085 -5.5732 3 1468.8991167  72503 303834935      824934        s-trans-Propenoic acid
  628382.0404  0.3101 -4.8824 3 1182.1810165  72503 303823547      813546        s-trans-Propenoic acid
  628382.0404  0.3101 -4.8824 3 1182.1810165  72503 303823548      813547        s-trans-Propenoic acid
  628420.7698  0.0995 -4.4945 3 1011.4651161  72503 303802555      792554        s-trans-Propenoic acid
  628672.0161  0.6770 -5.5174 3 1446.8111167  72503 303834835      824834        s-trans-Propenoic acid
  628672.0161  0.6770 -5.5174 3 1446.8111167  72503 303834836      824835        s-trans-Propenoic acid
  628692.0777  0.0323 -4.1313 3  399.5309 89  72503 303442222      432123        s-trans-Propenoic acid
  628692.0777  0.0323 -4.1313 3  399.5309 89  72503 303442223      432122        s-trans-Propenoic acid
  628710.5083  0.0829 -3.9158 3  356.4299 63  72503 3033129 2      3028 3        s-trans-Propenoic acid
  628710.5083  0.0829 -3.9158 3  356.4299 63  72503 3033129 3      3028 2        s-trans-Propenoic acid
  628843.1308  0.0105 -5.5149 3  231.3740 67  72503 303331518      321319        s-trans-Propenoic acid
  628853.1101  0.0105 -5.5149 3  231.3737 67  72503 303331519      321320        s-trans-Propenoic acid
  628879.3339  0.0285 -4.2404 3  428.2121 97  72503 303482029      471928        s-trans-Propenoic acid
  628879.5654  0.0285 -4.2404 3  428.2121 97  72503 303482028      471929        s-trans-Propenoic acid
  629062.6458  0.0298 -4.1817 3  413.0327 93  72503 303462126      452025        s-trans-Propenoic acid
  629062.6483  0.0298 -4.1817 3  413.0327 93  72503 303462125      452026        s-trans-Propenoic acid
  629074.2288  0.6462 -5.4630 3 1425.1933167  72503 303834736      824735        s-trans-Propenoic acid
  629074.2288  0.6462 -5.4630 3 1425.1933167  72503 303834737      824736        s-trans-Propenoic acid
  629202.7218  0.1148 -4.3906 3  968.0666161  72503 303801961      791960        s-trans-Propenoic acid
  629311.4528  0.2876 -4.8438 3 1166.8516165  72503 303823448      813447        s-trans-Propenoic acid
  629311.4528  0.2876 -4.8438 3 1166.8516165  72503 303823449      813448        s-trans-Propenoic acid
  629312.6420  0.1576 -4.6103 3 1065.0529163  72503 303812854      802853        s-trans-Propenoic acid
  629313.5931  0.1576 -4.6103 3 1065.0529163  72503 303812853      802852        s-trans-Propenoic acid
  629376.9400  0.0984 -5.2212 3 1000.9955165  72503 303821864      811963        s-trans-Propenoic acid
  629496.4141  0.6159 -5.4098 3 1404.0471167  72503 303834637      824636        s-trans-Propenoic acid
  629496.4141  0.6159 -5.4098 3 1404.0471167  72503 303834638      824637        s-trans-Propenoic acid
  629768.0917  0.1039 -4.4471 3 1000.9955165  72503 303821964      811963        s-trans-Propenoic acid
  629940.7042  0.5862 -5.3579 3 1383.3739167  72503 303834538      824537        s-trans-Propenoic acid
  629940.7042  0.5862 -5.3579 3 1383.3739167  72503 303834539      824538        s-trans-Propenoic acid
  629948.4963  0.0726 -3.9385 3  359.6217 67  72503 3033328 5      3227 6        s-trans-Propenoic acid
  629948.4963  0.0726 -3.9385 3  359.6217 67  72503 3033328 6      3227 5        s-trans-Propenoic acid
  630017.5460  0.0168 -5.1258 3  412.4792101  72503 303501436      491237        s-trans-Propenoic acid
  630024.1116  0.1068 -4.4467 3 1000.9739165  72503 303821864      811863        s-trans-Propenoic acid
  630335.5149  0.2657 -4.8064 3 1152.0362165  72503 303823349      813348        s-trans-Propenoic acid
  630335.5149  0.2657 -4.8064 3 1152.0362165  72503 303823350      813349        s-trans-Propenoic acid
  630341.2785  0.0710 -4.4095 3  972.3805159  72503 303792356      782355        s-trans-Propenoic acid
  630402.4315  0.0087 -5.3364 3  281.3497 79  72503 303391426      381227        s-trans-Propenoic acid
  630409.5146  0.5572 -5.3074 3 1363.1753167  72503 303834439      824438        s-trans-Propenoic acid
  630409.5146  0.5572 -5.3074 3 1363.1753167  72503 303834440      824439        s-trans-Propenoic acid
  630415.2632  0.1124 -5.2197 3 1000.9739165  72503 303821964      811863        s-trans-Propenoic acid
  630450.7168  0.0760 -4.3524 3  943.9623157  72503 303782256      772255        s-trans-Propenoic acid
  630454.6831  0.0681 -4.2841 3  911.6662155  72503 303772057      762056        s-trans-Propenoic acid
  630505.1301  0.0627 -4.2968 3  916.8586155  72503 303772156      762155        s-trans-Propenoic acid
  630611.8703  0.0324 -4.4258 3  477.5839107  72503 303531836      521735        s-trans-Propenoic acid
  630650.8230  0.1427 -4.5808 3 1108.5027193  72503 30396 591      95 590        s-trans-Propenoic acid
  630650.8230  0.1427 -5.0152 3 1108.5027193  72503 30396 591      95 690        s-trans-Propenoic acid
  630650.8230  0.1427 -5.0152 3 1108.5027193  72503 30396 691      95 590        s-trans-Propenoic acid
  630650.8230  0.1427 -4.5808 3 1108.5027193  72503 30396 691      95 690        s-trans-Propenoic acid
  630651.3392  0.1535 -4.5800 3 1111.1059195  72503 30397 493      96 492        s-trans-Propenoic acid
  630651.3392  0.1535 -5.0026 3 1111.1059195  72503 30397 493      96 592        s-trans-Propenoic acid
  630651.3392  0.1535 -5.0026 3 1111.1059195  72503 30397 593      96 492        s-trans-Propenoic acid
  630651.3392  0.1535 -4.5800 3 1111.1059195  72503 30397 593      96 592        s-trans-Propenoic acid
  630656.2912  0.1688 -4.5780 3 1113.1830197  72503 30398 395      97 394        s-trans-Propenoic acid
  630656.2912  0.1688 -4.9897 3 1113.1830197  72503 30398 395      97 494        s-trans-Propenoic acid
  630656.2912  0.1688 -4.9897 3 1113.1830197  72503 30398 495      97 394        s-trans-Propenoic acid
  630656.2912  0.1688 -4.5780 3 1113.1830197  72503 30398 495      97 494        s-trans-Propenoic acid
  630657.8866  0.1354 -4.5806 3 1105.3684191  72503 30395 689      94 688        s-trans-Propenoic acid
  630657.8866  0.1354 -5.0276 3 1105.3684191  72503 30395 689      94 788        s-trans-Propenoic acid
  630657.8866  0.1354 -5.0276 3 1105.3684191  72503 30395 789      94 688        s-trans-Propenoic acid
  630657.8866  0.1354 -4.5806 3 1105.3684191  72503 30395 789      94 788        s-trans-Propenoic acid
  630663.1360  0.1895 -4.5751 3 1114.7388199  72503 30399 297      98 296        s-trans-Propenoic acid
  630663.1360  0.1895 -4.9764 3 1114.7388199  72503 30399 297      98 396        s-trans-Propenoic acid
  630663.1360  0.1895 -4.9764 3 1114.7388199  72503 30399 397      98 296        s-trans-Propenoic acid
  630663.1360  0.1895 -4.5751 3 1114.7388199  72503 30399 397      98 396        s-trans-Propenoic acid
  630669.7962  0.2163 -4.5711 3 1115.7769201  72503 303A0 199      99 198        s-trans-Propenoic acid
  630669.7962  0.2163 -4.9627 3 1115.7769201  72503 303A0 199      99 298        s-trans-Propenoic acid
  630669.7962  0.2163 -4.9627 3 1115.7769201  72503 303A0 299      99 198        s-trans-Propenoic acid
  630669.7962  0.2163 -4.5711 3 1115.7769201  72503 303A0 299      99 298        s-trans-Propenoic acid
  630674.5606  0.2498 -4.5661 3 1116.3008203  72503 303A1 0A1      A0 0A0        s-trans-Propenoic acid
  630674.5606  0.2498 -4.9486 3 1116.3008203  72503 303A1 0A1      A0 1A0        s-trans-Propenoic acid
  630674.5606  0.2498 -4.9486 3 1116.3008203  72503 303A1 1A1      A0 0A0        s-trans-Propenoic acid
  630674.5606  0.2498 -4.5661 3 1116.3008203  72503 303A1 1A1      A0 1A0        s-trans-Propenoic acid
  630676.4560  0.1307 -4.5793 3 1101.6966189  72503 30394 787      93 786        s-trans-Propenoic acid
  630676.4560  0.1307 -5.0399 3 1101.6966189  72503 30394 787      93 886        s-trans-Propenoic acid
  630676.4560  0.1307 -5.0399 3 1101.6966189  72503 30394 887      93 786        s-trans-Propenoic acid
  630676.4560  0.1307 -4.5793 3 1101.6966189  72503 30394 887      93 886        s-trans-Propenoic acid
  630711.4901  0.1278 -4.5769 3 1097.4801187  72503 30393 885      92 884        s-trans-Propenoic acid
  630711.4901  0.1278 -5.0521 3 1097.4801187  72503 30393 885      92 984        s-trans-Propenoic acid
  630711.4901  0.1278 -5.0521 3 1097.4801187  72503 30393 985      92 884        s-trans-Propenoic acid
  630711.4901  0.1278 -4.5769 3 1097.4801187  72503 30393 985      92 984        s-trans-Propenoic acid
  630769.3325  0.1258 -4.5734 3 1092.7103185  72503 30392 983      91 982        s-trans-Propenoic acid
  630769.3325  0.1258 -5.0645 3 1092.7103185  72503 30392 983      911082        s-trans-Propenoic acid
  630769.3325  0.1258 -5.0645 3 1092.7103185  72503 303921083      91 982        s-trans-Propenoic acid
  630769.3325  0.1258 -4.5734 3 1092.7103185  72503 303921083      911082        s-trans-Propenoic acid
  630846.2966  0.0907 -5.4158 3 1019.0578165  72503 303822062      812161        s-trans-Propenoic acid
  630858.2173  0.1244 -4.5686 3 1087.3770183  72503 303911081      901080        s-trans-Propenoic acid
  630858.2173  0.1244 -5.0770 3 1087.3770183  72503 303911081      901180        s-trans-Propenoic acid
  630858.2173  0.1244 -5.0770 3 1087.3770183  72503 303911181      901080        s-trans-Propenoic acid
  630858.2173  0.1244 -4.5686 3 1087.3770183  72503 303911181      901180        s-trans-Propenoic acid
  630905.5939  0.5287 -5.2581 3 1343.4532167  72503 303834340      824339        s-trans-Propenoic acid
  630905.5939  0.5287 -5.2581 3 1343.4532167  72503 303834341      824340        s-trans-Propenoic acid
  630913.5825  0.0058 -5.4529 3  220.9258 75  72503 30337 532      36 433        s-trans-Propenoic acid
  630918.5534  0.0058 -5.4529 3  220.9258 75  72503 30337 632      36 333        s-trans-Propenoic acid
  630989.0179  0.1231 -4.5626 3 1081.4678181  72503 303901179      891178        s-trans-Propenoic acid
  630989.0179  0.1231 -5.0901 3 1081.4678181  72503 303901179      891278        s-trans-Propenoic acid
  630989.0179  0.1231 -5.0901 3 1081.4678181  72503 303901279      891178        s-trans-Propenoic acid
  630989.0179  0.1231 -4.5626 3 1081.4678181  72503 303901279      891278        s-trans-Propenoic acid
  631167.2972  0.0634 -3.9639 3  364.3141 71  72503 3033527 8      3426 9        s-trans-Propenoic acid
  631167.2972  0.0634 -3.9639 3  364.3141 71  72503 3033527 9      3426 8        s-trans-Propenoic acid
  631176.3880  0.1218 -4.5554 3 1074.9674179  72503 303891277      881276        s-trans-Propenoic acid
  631176.3880  0.1218 -5.1039 3 1074.9674179  72503 303891277      881376        s-trans-Propenoic acid
  631176.3880  0.1218 -5.1039 3 1074.9674179  72503 303891377      881276        s-trans-Propenoic acid
  631176.3880  0.1218 -4.5554 3 1074.9674179  72503 303891377      881376        s-trans-Propenoic acid
  631297.5174  0.0296 -4.5565 3  499.0788111  72503 303551738      541639        s-trans-Propenoic acid
  631421.9331  0.1389 -4.5793 3 1053.5219163  72503 303812755      802754        s-trans-Propenoic acid
  631423.1350  0.0855 -4.4667 3 1001.8509161  72503 303802457      792456        s-trans-Propenoic acid
  631430.3327  0.1389 -4.5793 3 1053.5222163  72503 303812754      802753        s-trans-Propenoic acid
  631432.0847  0.5008 -5.2100 3 1324.2096167  72503 303834241      824240        s-trans-Propenoic acid
  631432.0847  0.5008 -5.2100 3 1324.2096167  72503 303834242      824241        s-trans-Propenoic acid
  631440.5744  0.1202 -5.1187 3 1067.8574177  72503 303881375      871474        s-trans-Propenoic acid
  631440.5744  0.1202 -4.5467 3 1067.8574177  72503 303881475      871474        s-trans-Propenoic acid
  631440.5745  0.1202 -4.5467 3 1067.8574177  72503 303881375      871374        s-trans-Propenoic acid
  631440.5746  0.1202 -5.1187 3 1067.8574177  72503 303881475      871374        s-trans-Propenoic acid
  631471.5671  0.2442 -4.7701 3 1137.7433165  72503 303823251      813250        s-trans-Propenoic acid
  631471.5673  0.2442 -4.7701 3 1137.7433165  72503 303823250      813249        s-trans-Propenoic acid
  631534.2048  0.0318 -4.4247 3  477.5587107  72503 303531835      521736        s-trans-Propenoic acid
  631732.2265  0.0980 -4.4261 3  989.2701163  72503 303812062      802061        s-trans-Propenoic acid
  631769.7286  0.0074 -5.3360 3  297.9380 85  72503 303421132      41 933        s-trans-Propenoic acid
  631810.4355  0.1185 -5.1352 3 1060.1139175  72503 303871473      861572        s-trans-Propenoic acid
  631810.4373  0.1185 -4.5366 3 1060.1139175  72503 303871573      861572        s-trans-Propenoic acid
  631810.4389  0.1185 -4.5366 3 1060.1139175  72503 303871473      861472        s-trans-Propenoic acid
  631810.4407  0.1185 -5.1352 3 1060.1139175  72503 303871573      861472        s-trans-Propenoic acid
  631992.5997  0.4735 -5.1632 3 1305.4468167  72503 303834142      824141        s-trans-Propenoic acid
  631992.5997  0.4735 -5.1632 3 1305.4468167  72503 303834143      824142        s-trans-Propenoic acid
  632122.8213  0.0815 -4.4056 3  976.6683161  72503 303802160      792159        s-trans-Propenoic acid
  632326.0368  0.2442 -5.0637 3  762.0759141  72503 303701952      691851        s-trans-Propenoic acid
  632328.7434  0.1166 -5.1539 3 1051.7066173  72503 303861571      851670        s-trans-Propenoic acid
  632328.7883  0.1166 -4.5249 3 1051.7066173  72503 303861671      851670        s-trans-Propenoic acid
  632328.8265  0.1166 -4.5249 3 1051.7066173  72503 303861571      851570        s-trans-Propenoic acid
  632328.8714  0.1166 -5.1539 3 1051.7066173  72503 303861671      851570        s-trans-Propenoic acid
  632351.0780  0.0551 -3.9922 3  370.5172 75  72503 303372611      362512        s-trans-Propenoic acid
  632351.0780  0.0551 -3.9922 3  370.5172 75  72503 303372612      362511        s-trans-Propenoic acid
  632561.0887  0.0073 -4.9930 3  297.9116 85  72503 303421132      41 833        s-trans-Propenoic acid
  632591.3169  0.4468 -5.1176 3 1287.1674167  72503 303834043      824042        s-trans-Propenoic acid
  632591.3169  0.4468 -5.1176 3 1287.1674167  72503 303834044      824043        s-trans-Propenoic acid
  632741.8702  0.2232 -4.7349 3 1123.9831165  72503 303823152      813151        s-trans-Propenoic acid
  632741.8717  0.2232 -4.7349 3 1123.9831165  72503 303823151      813150        s-trans-Propenoic acid
  632795.2691  0.0318 -4.8928 3  395.1068 99  72503 303491336      481237        s-trans-Propenoic acid
  632930.3387  0.0066 -5.4026 3  282.0906 83  72503 303411032      40 833        s-trans-Propenoic acid
  632942.0984  0.0816 -4.4648 3 1001.9302161  72503 303802456      792455        s-trans-Propenoic acid
  633061.4568  0.1146 -5.1760 3 1042.5943171  72503 303851669      841768        s-trans-Propenoic acid
  633062.3997  0.1146 -4.5114 3 1042.5943171  72503 303851769      841768        s-trans-Propenoic acid
  633063.1515  0.1146 -4.5114 3 1042.5943171  72503 303851669      841668        s-trans-Propenoic acid
  633064.0943  0.1146 -5.1760 3 1042.5943171  72503 303851769      841668        s-trans-Propenoic acid
  633071.1544  0.0066 -5.0408 3  282.0859 83  72503 303411032      40 733        s-trans-Propenoic acid
  633088.4807  0.1380 -4.8539 3  631.1081127  72503 303631846      621745        s-trans-Propenoic acid
  633164.2900  0.0061 -5.1106 3  266.4414 81  72503 30340 832      39 733        s-trans-Propenoic acid
  633185.1903  0.0061 -5.4838 3  266.4407 81  72503 30340 832      39 633        s-trans-Propenoic acid
  633233.0996  0.4207 -5.0733 3 1269.3743167  72503 303833944      823943        s-trans-Propenoic acid
  633233.0996  0.4207 -5.0733 3 1269.3743167  72503 303833945      823944        s-trans-Propenoic acid
  633475.8172  0.0479 -4.0239 3  378.2438 79  72503 303392514      382415        s-trans-Propenoic acid
  633475.8172  0.0479 -4.0239 3  378.2438 79  72503 303392515      382414        s-trans-Propenoic acid
  633551.4152  0.0055 -5.3091 3  235.8376 77  72503 30338 632      37 533        s-trans-Propenoic acid
  633590.4932  0.0055 -5.3091 3  235.8376 77  72503 30338 732      37 433        s-trans-Propenoic acid
  633840.7333  0.0086 -5.2579 3  319.0116 87  72503 303431331      421132        s-trans-Propenoic acid
  633923.6514  0.3951 -5.0301 3 1252.0710167  72503 303833845      823844        s-trans-Propenoic acid
  633923.6514  0.3951 -5.0301 3 1252.0710167  72503 303833846      823845        s-trans-Propenoic acid
  633941.3219  0.1205 -4.5493 3 1042.6247163  72503 303812656      802655        s-trans-Propenoic acid
  634006.4684  0.1202 -4.5492 3 1042.6274163  72503 303812655      802654        s-trans-Propenoic acid
  634049.7769  0.1174 -4.4224 3  989.0546163  72503 303811962      801961        s-trans-Propenoic acid
  634103.3714  0.1125 -5.2033 3 1032.7201169  72503 303841767      831866        s-trans-Propenoic acid
  634119.8336  0.1128 -4.4958 3 1032.7201169  72503 303841867      831866        s-trans-Propenoic acid
  634131.9866  0.1129 -4.4957 3 1032.7192169  72503 303841767      831766        s-trans-Propenoic acid
  634148.4488  0.1132 -5.2033 3 1032.7192169  72503 303841867      831766        s-trans-Propenoic acid
  634175.7311  0.2026 -4.7009 3 1110.7684165  72503 303823053      813052        s-trans-Propenoic acid
  634175.7487  0.2026 -4.7009 3 1110.7684165  72503 303823052      813051        s-trans-Propenoic acid
  634366.4659  0.0747 -4.4408 3  992.9757161  72503 303802358      792357        s-trans-Propenoic acid
  634505.0989  0.0418 -4.0595 3  387.5105 83  72503 303412417      402318        s-trans-Propenoic acid
  634505.0989  0.0418 -4.0595 3  387.5105 83  72503 303412418      402317        s-trans-Propenoic acid
  634506.1740  0.0308 -4.3317 3  458.1004103  72503 303511933      501832        s-trans-Propenoic acid
  634508.6720  0.0059 -5.4823 3  266.4414 81  72503 30340 932      39 733        s-trans-Propenoic acid
  634529.5723  0.0059 -5.1092 3  266.4407 81  72503 30340 932      39 633        s-trans-Propenoic acid
  634533.9165  0.0308 -4.3316 3  458.0996103  72503 303511932      501833        s-trans-Propenoic acid
  634554.5688  0.0079 -5.2847 3  313.9645 87  72503 303431232      421033        s-trans-Propenoic acid
  634590.1301  0.0055 -5.1975 3  251.0160 79  72503 30339 732      38 633        s-trans-Propenoic acid
  634590.8087  0.2093 -5.2452 3  947.2296159  72503 303792060      781959        s-trans-Propenoic acid
  634592.6963  0.0055 -5.5783 3  251.0159 79  72503 30339 732      38 533        s-trans-Propenoic acid
  634669.7177  0.3701 -4.9882 3 1235.2612167  72503 303833746      823745        s-trans-Propenoic acid
  634669.7177  0.3701 -4.9882 3 1235.2612167  72503 303833747      823746        s-trans-Propenoic acid
  634841.0509  0.0055 -5.5781 3  251.0160 79  72503 30339 832      38 633        s-trans-Propenoic acid
  634843.6171  0.0055 -5.1973 3  251.0159 79  72503 30339 832      38 533        s-trans-Propenoic acid
  634989.0787  0.0936 -3.9017 3  362.0341 61  72503 3033030 0      2929 1        s-trans-Propenoic acid
  634989.0787  0.0936 -3.9017 3  362.0341 61  72503 3033030 1      2929 0        s-trans-Propenoic acid
  635024.4243  0.2530 -5.5763 3 1070.9315169  72503 303842163      832262        s-trans-Propenoic acid
  635026.1439  0.0744 -5.2968 3 1010.3424165  72503 303821963      812062        s-trans-Propenoic acid
  635050.5036  0.0104 -5.4860 3  239.8776 69  72503 303341519      331320        s-trans-Propenoic acid
  635072.4348  0.0104 -5.4860 3  239.8768 69  72503 303341520      331321        s-trans-Propenoic acid
  635158.2477  0.0728 -4.4198 3  984.7024161  72503 303802259      792258        s-trans-Propenoic acid
  635383.2391  0.0369 -4.0997 3  398.3398 87  72503 303432320      422221        s-trans-Propenoic acid
  635383.2391  0.0369 -4.0997 3  398.3398 87  72503 303432321      422220        s-trans-Propenoic acid
  635413.4057  0.2392 -5.2336 3  926.5324157  72503 303782059      771958        s-trans-Propenoic acid
  635422.8112  0.1072 -5.2396 3 1022.0023167  72503 303831865      821964        s-trans-Propenoic acid
  635428.2721  0.0092 -5.3176 3  291.5680 81  72503 303401427      391228        s-trans-Propenoic acid
  635479.3524  0.3456 -4.9474 3 1218.9497167  72503 303833647      823646        s-trans-Propenoic acid
  635479.3524  0.3456 -4.9474 3 1218.9497167  72503 303833648      823647        s-trans-Propenoic acid
  635594.8991  0.0282 -4.6806 3  493.0551111  72503 303551639      541540        s-trans-Propenoic acid
  635657.1338  0.1109 -4.4776 3 1022.0023167  72503 303831965      821964        s-trans-Propenoic acid
  635663.0055  0.1848 -5.2578 3  968.0666161  72503 303802061      791960        s-trans-Propenoic acid
  635804.8686  0.0901 -4.3160 3  932.6959157  72503 303782058      772057        s-trans-Propenoic acid
  635812.9408  0.1823 -4.6680 3 1098.1153165  72503 303822954      812953        s-trans-Propenoic acid
  635813.1278  0.1823 -4.6680 3 1098.1153165  72503 303822953      812952        s-trans-Propenoic acid
  635813.9628  0.1128 -4.4773 3 1021.9893167  72503 303831865      821864        s-trans-Propenoic acid
  635932.0844  0.0305 -4.2584 3  440.5663 99  72503 303492030      481929        s-trans-Propenoic acid
  635932.5999  0.0305 -4.2584 3  440.5663 99  72503 303492029      481930        s-trans-Propenoic acid
  635988.3845  0.7366 -5.5959 3 1489.8566169  72503 303844935      834934        s-trans-Propenoic acid
  635988.3845  0.7366 -5.5959 3 1489.8566169  72503 303844936      834935        s-trans-Propenoic acid
  636023.4328  0.0334 -4.1452 3  410.7614 91  72503 303452223      442124        s-trans-Propenoic acid
  636023.4328  0.0334 -4.1452 3  410.7614 91  72503 303452224      442123        s-trans-Propenoic acid
  636048.2855  0.1164 -5.2387 3 1021.9893167  72503 303831965      821864        s-trans-Propenoic acid
  636233.8228  0.0825 -3.9228 3  364.2437 65  72503 3033229 3      3128 4        s-trans-Propenoic acid
  636233.8228  0.0825 -3.9228 3  364.2437 65  72503 3033229 4      3128 3        s-trans-Propenoic acid
  636285.7876  0.0313 -4.1974 3  424.8171 95  72503 303472127      462026        s-trans-Propenoic acid
  636285.7936  0.0313 -4.1974 3  424.8171 95  72503 303472126      462027        s-trans-Propenoic acid
  636293.4029  0.0358 -4.4544 3  491.4651109  72503 303541837      531736        s-trans-Propenoic acid
  636362.2785  0.3217 -4.9078 3 1203.1416167  72503 303833548      823547        s-trans-Propenoic acid
  636362.2785  0.3217 -4.9078 3 1203.1416167  72503 303833549      823548        s-trans-Propenoic acid
  636384.7932  0.7039 -5.5405 3 1467.7814169  72503 303844836      834835        s-trans-Propenoic acid
  636384.7932  0.7039 -5.5405 3 1467.7814169  72503 303844837      834836        s-trans-Propenoic acid
  636800.0587  0.6717 -5.4863 3 1446.1770169  72503 303844737      834736        s-trans-Propenoic acid
  636800.0587  0.6717 -5.4863 3 1446.1770169  72503 303844738      834737        s-trans-Propenoic acid
  636832.5784  0.1513 -4.6118 3 1129.5390195  72503 30397 592      96 591        s-trans-Propenoic acid
  636832.5784  0.1513 -5.0455 3 1129.5390195  72503 30397 592      96 691        s-trans-Propenoic acid
  636832.5784  0.1513 -5.0455 3 1129.5390195  72503 30397 692      96 591        s-trans-Propenoic acid
  636832.5784  0.1513 -4.6118 3 1129.5390195  72503 30397 692      96 691        s-trans-Propenoic acid
  636833.6736  0.1628 -4.6110 3 1132.1421197  72503 30398 494      97 493        s-trans-Propenoic acid
  636833.6736  0.1628 -5.0331 3 1132.1421197  72503 30398 494      97 593        s-trans-Propenoic acid
  636833.6736  0.1628 -5.0331 3 1132.1421197  72503 30398 594      97 493        s-trans-Propenoic acid
  636833.6736  0.1628 -4.6110 3 1132.1421197  72503 30398 594      97 593        s-trans-Propenoic acid
  636838.7480  0.1435 -4.6115 3 1126.4048193  72503 30396 690      95 689        s-trans-Propenoic acid
  636838.7480  0.1435 -5.0577 3 1126.4048193  72503 30396 690      95 789        s-trans-Propenoic acid
  636838.7480  0.1435 -5.0577 3 1126.4048193  72503 30396 790      95 689        s-trans-Propenoic acid
  636838.7480  0.1435 -4.6115 3 1126.4048193  72503 30396 790      95 789        s-trans-Propenoic acid
  636838.9790  0.1790 -4.6091 3 1134.2195199  72503 30399 396      98 395        s-trans-Propenoic acid
  636838.9790  0.1790 -5.0204 3 1134.2195199  72503 30399 396      98 495        s-trans-Propenoic acid
  636838.9790  0.1790 -5.0204 3 1134.2195199  72503 30399 496      98 395        s-trans-Propenoic acid
  636838.9790  0.1790 -4.6091 3 1134.2195199  72503 30399 496      98 495        s-trans-Propenoic acid
  636846.0164  0.2008 -4.6062 3 1135.7754201  72503 303A0 298      99 297        s-trans-Propenoic acid
  636846.0164  0.2008 -5.0073 3 1135.7754201  72503 303A0 298      99 397        s-trans-Propenoic acid
  636846.0164  0.2008 -5.0073 3 1135.7754201  72503 303A0 398      99 297        s-trans-Propenoic acid
  636846.0164  0.2008 -4.6062 3 1135.7754201  72503 303A0 398      99 397        s-trans-Propenoic acid
  636852.7560  0.2289 -4.6023 3 1136.8138203  72503 303A1 1A0      A0 199        s-trans-Propenoic acid
  636852.7560  0.2289 -4.9938 3 1136.8138203  72503 303A1 1A0      A0 299        s-trans-Propenoic acid
  636852.7560  0.2289 -4.9938 3 1136.8138203  72503 303A1 2A0      A0 199        s-trans-Propenoic acid
  636852.7560  0.2289 -4.6023 3 1136.8138203  72503 303A1 2A0      A0 299        s-trans-Propenoic acid
  636855.9851  0.1385 -4.6102 3 1122.7337191  72503 30395 788      94 787        s-trans-Propenoic acid
  636855.9851  0.1385 -5.0697 3 1122.7337191  72503 30395 788      94 887        s-trans-Propenoic acid
  636855.9851  0.1385 -5.0697 3 1122.7337191  72503 30395 888      94 787        s-trans-Propenoic acid
  636855.9851  0.1385 -4.6102 3 1122.7337191  72503 30395 888      94 887        s-trans-Propenoic acid
  636857.5209  0.2639 -4.5973 3 1137.3378205  72503 303A2 0A2      A1 0A1        s-trans-Propenoic acid
  636857.5209  0.2639 -4.9798 3 1137.3378205  72503 303A2 0A2      A1 1A1        s-trans-Propenoic acid
  636857.5209  0.2639 -4.9798 3 1137.3378205  72503 303A2 1A2      A1 0A1        s-trans-Propenoic acid
  636857.5209  0.2639 -4.5973 3 1137.3378205  72503 303A2 1A2      A1 1A1        s-trans-Propenoic acid
  636889.0767  0.1353 -4.6077 3 1118.5184189  72503 30394 886      93 885        s-trans-Propenoic acid
  636889.0767  0.1353 -5.0816 3 1118.5184189  72503 30394 886      93 985        s-trans-Propenoic acid
  636889.0767  0.1353 -5.0816 3 1118.5184189  72503 30394 986      93 885        s-trans-Propenoic acid
  636889.0767  0.1353 -4.6077 3 1118.5184189  72503 30394 986      93 985        s-trans-Propenoic acid
  636944.1242  0.1333 -4.6041 3 1113.7505187  72503 30393 984      92 983        s-trans-Propenoic acid
  636944.1242  0.1333 -5.0936 3 1113.7505187  72503 30393 984      921083        s-trans-Propenoic acid
  636944.1242  0.1333 -5.0936 3 1113.7505187  72503 303931084      92 983        s-trans-Propenoic acid
  636944.1242  0.1333 -4.6041 3 1113.7505187  72503 303931084      921083        s-trans-Propenoic acid
  636953.1476  0.1029 -4.5201 3 1032.4063163  72503 303812557      802556        s-trans-Propenoic acid
  636962.6175  0.0115 -5.0043 3  308.4744 87  72503 303431033      42 934        s-trans-Propenoic acid
  637029.0154  0.1318 -4.5993 3 1108.4202185  72503 303921082      911081        s-trans-Propenoic acid
  637029.0154  0.1318 -5.1059 3 1108.4202185  72503 303921082      911181        s-trans-Propenoic acid
  637029.0154  0.1318 -5.1059 3 1108.4202185  72503 303921182      911081        s-trans-Propenoic acid
  637029.0154  0.1318 -4.5993 3 1108.4202185  72503 303921182      911181        s-trans-Propenoic acid
  637154.1179  0.1304 -4.5933 3 1102.5153183  72503 303911180      901179        s-trans-Propenoic acid
  637154.1179  0.1304 -5.1185 3 1102.5153183  72503 303911180      901279        s-trans-Propenoic acid
  637154.1179  0.1304 -4.5933 3 1102.5153183  72503 303911280      901279        s-trans-Propenoic acid
  637154.1180  0.1304 -5.1185 3 1102.5153183  72503 303911280      901179        s-trans-Propenoic acid
  637236.1546  0.6402 -5.4335 3 1425.0448169  72503 303844638      834637        s-trans-Propenoic acid
  637236.1546  0.6402 -5.4335 3 1425.0448169  72503 303844639      834638        s-trans-Propenoic acid
  637330.3847  0.2982 -4.8694 3 1187.8432167  72503 303833449      823448        s-trans-Propenoic acid
  637330.3847  0.2982 -4.8694 3 1187.8432167  72503 303833450      823449        s-trans-Propenoic acid
  637333.3293  0.1291 -4.5860 3 1096.0212181  72503 303901278      891277        s-trans-Propenoic acid
  637333.3293  0.1291 -5.1318 3 1096.0212181  72503 303901278      891377        s-trans-Propenoic acid
  637333.3293  0.1291 -5.1318 3 1096.0212181  72503 303901378      891277        s-trans-Propenoic acid
  637333.3293  0.1291 -4.5860 3 1096.0212181  72503 303901378      891377        s-trans-Propenoic acid
  637387.0920  0.1011 -4.5196 3 1032.4269163  72503 303812556      802555        s-trans-Propenoic acid
  637421.7584  0.0113 -5.3551 3  308.4591 87  72503 303431033      42 834        s-trans-Propenoic acid
  637466.9553  0.0723 -3.9463 3  367.9484 69  72503 3033428 6      3327 7        s-trans-Propenoic acid
  637466.9553  0.0723 -3.9463 3  367.9484 69  72503 3033428 7      3327 6        s-trans-Propenoic acid
  637585.7289  0.1275 -5.1460 3 1088.9200179  72503 303891376      881475        s-trans-Propenoic acid
  637585.7289  0.1275 -4.5773 3 1088.9200179  72503 303891476      881475        s-trans-Propenoic acid
  637585.7290  0.1275 -4.5773 3 1088.9200179  72503 303891376      881375        s-trans-Propenoic acid
  637585.7290  0.1275 -5.1460 3 1088.9200179  72503 303891476      881375        s-trans-Propenoic acid
  637645.7981  0.1061 -4.4567 3 1010.3424165  72503 303822063      812062        s-trans-Propenoic acid
  637695.3095  0.6093 -5.3819 3 1404.3864169  72503 303844539      834538        s-trans-Propenoic acid
  637695.3095  0.6093 -5.3819 3 1404.3864169  72503 303844540      834539        s-trans-Propenoic acid
  637709.3805  0.1624 -4.6361 3 1086.0445165  72503 303822855      812854        s-trans-Propenoic acid
  637711.1670  0.1624 -4.6361 3 1086.0446165  72503 303822854      812853        s-trans-Propenoic acid
  637938.2991  0.1258 -5.1617 3 1081.1889177  72503 303881474      871573        s-trans-Propenoic acid
  637938.3000  0.1258 -4.5672 3 1081.1889177  72503 303881574      871573        s-trans-Propenoic acid
  637938.3009  0.1258 -4.5672 3 1081.1889177  72503 303881474      871473        s-trans-Propenoic acid
  637938.3018  0.1258 -5.1617 3 1081.1889177  72503 303881574      871473        s-trans-Propenoic acid
  637938.6880  0.0346 -4.4525 3  491.4206109  72503 303541836      531737        s-trans-Propenoic acid
  638180.0498  0.5790 -5.3316 3 1384.2035169  72503 303844440      834439        s-trans-Propenoic acid
  638180.0498  0.5790 -5.3316 3 1384.2035169  72503 303844441      834440        s-trans-Propenoic acid
  638192.5103  0.1667 -5.2717 3  989.0546163  72503 303812062      801961        s-trans-Propenoic acid
  638242.2460  0.0079 -4.9808 3  313.8415 87  72503 303431232      42 933        s-trans-Propenoic acid
  638398.4287  0.2753 -4.8321 3 1173.0620167  72503 303833350      823349        s-trans-Propenoic acid
  638398.4287  0.2753 -4.8321 3 1173.0620167  72503 303833351      823350        s-trans-Propenoic acid
  638430.6513  0.1238 -5.1796 3 1072.7988175  72503 303871572      861671        s-trans-Propenoic acid
  638430.6754  0.1238 -4.5555 3 1072.7988175  72503 303871672      861671        s-trans-Propenoic acid
  638430.6962  0.1238 -4.5555 3 1072.7988175  72503 303871572      861571        s-trans-Propenoic acid
  638430.7204  0.1238 -5.1796 3 1072.7988175  72503 303871672      861571        s-trans-Propenoic acid
  638537.3296  0.2717 -5.2222 3  905.9662155  72503 303772058      761957        s-trans-Propenoic acid
  638606.9747  0.0251 -4.9433 3  364.9886 95  72503 303471235      461136        s-trans-Propenoic acid
  638676.9180  0.0632 -3.9725 3  373.1566 73  72503 3033627 9      352610        s-trans-Propenoic acid
  638676.9180  0.0632 -3.9725 3  373.1566 73  72503 303362710      3526 9        s-trans-Propenoic acid
  638683.4844  0.0911 -4.4351 3  997.7536163  72503 303812161      802160        s-trans-Propenoic acid
  638693.2536  0.5493 -5.2825 3 1364.4980169  72503 303844341      834340        s-trans-Propenoic acid
  638693.2536  0.5493 -5.2825 3 1364.4980169  72503 303844342      834341        s-trans-Propenoic acid
  639077.0082  0.4562 -5.6288 3 1103.0468133  72503 303664719      664620        s-trans-Propenoic acid
  639077.0082  0.4562 -5.6288 3 1103.0468133  72503 303664720      664621        s-trans-Propenoic acid
  639123.4210  0.1218 -5.2005 3 1063.7110173  72503 303861670      851769        s-trans-Propenoic acid
  639123.9429  0.1218 -4.5420 3 1063.7110173  72503 303861770      851769        s-trans-Propenoic acid
  639124.3639  0.1218 -4.5420 3 1063.7110173  72503 303861670      851669        s-trans-Propenoic acid
  639124.8858  0.1218 -5.2005 3 1063.7110173  72503 303861770      851669        s-trans-Propenoic acid
  639168.8773  0.1206 -4.4543 3 1010.2042165  72503 303821963      811962        s-trans-Propenoic acid
  639238.2148  0.5203 -5.2347 3 1345.2719169  72503 303844242      834241        s-trans-Propenoic acid
  639238.2148  0.5203 -5.2347 3 1345.2719169  72503 303844243      834242        s-trans-Propenoic acid
  639310.9033  0.4500 -5.6140 3 1086.4110131  72503 303654718      654619        s-trans-Propenoic acid
  639310.9033  0.4500 -5.6140 3 1086.4110131  72503 303654719      654620        s-trans-Propenoic acid
  639536.1990  0.4444 -5.6008 3 1070.0303129  72503 303644717      644618        s-trans-Propenoic acid
  639536.1990  0.4444 -5.6008 3 1070.0303129  72503 303644718      644619        s-trans-Propenoic acid
  639585.0613  0.2529 -4.7960 3 1158.8069167  72503 303833252      823251        s-trans-Propenoic acid
  639585.0616  0.2529 -4.7960 3 1158.8069167  72503 303833251      823250        s-trans-Propenoic acid
  639753.1359  0.4395 -5.5895 3 1053.9046127  72503 303634716      634617        s-trans-Propenoic acid
  639753.1359  0.4395 -5.5895 3 1053.9046127  72503 303634717      634618        s-trans-Propenoic acid
  639818.7250  0.4918 -5.1882 3 1326.5278169  72503 303844143      834142        s-trans-Propenoic acid
  639818.7250  0.4918 -5.1882 3 1326.5278169  72503 303844144      834143        s-trans-Propenoic acid
  639846.1468  0.0551 -4.0017 3  379.8789 77  72503 303382612      372513        s-trans-Propenoic acid
  639846.1468  0.0551 -4.0017 3  379.8789 77  72503 303382613      372512        s-trans-Propenoic acid
  639944.7447  0.1427 -4.6052 3 1074.5838165  72503 303822756      812755        s-trans-Propenoic acid
  639959.9038  0.1426 -4.6052 3 1074.5844165  72503 303822755      812754        s-trans-Propenoic acid
  639961.9497  0.4352 -5.5801 3 1038.0338125  72503 303624715      624616        s-trans-Propenoic acid
  639961.9497  0.4352 -5.5801 3 1038.0338125  72503 303624716      624617        s-trans-Propenoic acid
  640107.4673  0.1197 -5.2261 3 1053.8721171  72503 303851768      841867        s-trans-Propenoic acid
  640116.8782  0.1199 -4.5265 3 1053.8721171  72503 303851868      841867        s-trans-Propenoic acid
  640123.9295  0.1200 -4.5265 3 1053.8715171  72503 303851768      841767        s-trans-Propenoic acid
  640133.3404  0.1202 -5.2260 3 1053.8715171  72503 303851868      841767        s-trans-Propenoic acid
  640162.8716  0.4314 -5.5728 3 1022.4177123  72503 303614714      614615        s-trans-Propenoic acid
  640162.8716  0.4314 -5.5728 3 1022.4177123  72503 303614715      614616        s-trans-Propenoic acid
  640252.5899  0.1120 -4.3498 3  953.9041159  72503 303792059      782058        s-trans-Propenoic acid
  640279.8772  0.0878 -4.4923 3 1022.9130163  72503 303812458      802457        s-trans-Propenoic acid
  640356.1281  0.4282 -5.5680 3 1007.0562121  72503 303604713      604614        s-trans-Propenoic acid
  640356.1281  0.4282 -5.5680 3 1007.0562121  72503 303604714      604615        s-trans-Propenoic acid
  640365.6169  0.0585 -4.3205 3  937.8900157  72503 303782157      772156        s-trans-Propenoic acid
  640439.1750  0.4640 -5.1428 3 1308.2683169  72503 303844044      834043        s-trans-Propenoic acid
  640439.1750  0.4640 -5.1428 3 1308.2683169  72503 303844045      834044        s-trans-Propenoic acid
  640541.9410  0.4253 -5.5658 3  991.9492119  72503 303594712      594613        s-trans-Propenoic acid
  640541.9410  0.4253 -5.5658 3  991.9492119  72503 303594713      594614        s-trans-Propenoic acid
  640605.1274  0.0306 -4.5966 3  513.5766113  72503 303561739      551640        s-trans-Propenoic acid
  640629.0031  0.0097 -5.3004 3  302.0606 83  72503 303411428      401229        s-trans-Propenoic acid
  640720.5278  0.4229 -5.5667 3  977.0965117  72503 303584711      584612        s-trans-Propenoic acid
  640720.5278  0.4229 -5.5667 3  977.0965117  72503 303584712      584613        s-trans-Propenoic acid
  640831.0594  0.0175 -4.9751 3  336.1103 91  72503 303451134      441035        s-trans-Propenoic acid
  640892.1018  0.4209 -5.5710 3  962.4980115  72503 303574710      574611        s-trans-Propenoic acid
  640892.1018  0.4209 -5.5710 3  962.4980115  72503 303574711      574612        s-trans-Propenoic acid
  640914.3723  0.2309 -4.7610 3 1145.0891167  72503 303833153      823152        s-trans-Propenoic acid
  640914.3754  0.2309 -4.7610 3 1145.0891167  72503 303833152      823151        s-trans-Propenoic acid
  640948.1519  0.0481 -4.0345 3  388.1289 81  72503 303402515      392416        s-trans-Propenoic acid
  640948.1519  0.0481 -4.0345 3  388.1289 81  72503 303402516      392415        s-trans-Propenoic acid
  641056.8715  0.4192 -5.5794 3  948.1536113  72503 3035647 9      564610        s-trans-Propenoic acid
  641056.8715  0.4192 -5.5794 3  948.1536113  72503 303564710      564611        s-trans-Propenoic acid
  641082.6353  0.0102 -5.4592 3  248.6544 71  72503 303351520      341321        s-trans-Propenoic acid
  641104.6845  0.4367 -5.0987 3 1290.4967169  72503 303843945      833944        s-trans-Propenoic acid
  641104.6845  0.4367 -5.0987 3 1290.4967169  72503 303843946      833945        s-trans-Propenoic acid
  641114.5676  0.0786 -4.4323 3  993.4064161  72503 303802357      792356        s-trans-Propenoic acid
  641129.2985  0.0102 -5.4591 3  248.6528 71  72503 303351521      341322        s-trans-Propenoic acid
  641175.1431  0.0335 -4.3541 3  471.3270105  72503 303521934      511833        s-trans-Propenoic acid
  641215.0418  0.4178 -5.5925 3  934.0631111  72503 3035547 8      5546 9        s-trans-Propenoic acid
  641215.0418  0.4178 -5.5925 3  934.0631111  72503 3035547 9      554610        s-trans-Propenoic acid
  641229.9452  0.0334 -4.3540 3  471.3255105  72503 303521933      511834        s-trans-Propenoic acid
  641366.8130  0.4167 -5.6115 3  920.2264109  72503 3035447 7      5446 8        s-trans-Propenoic acid
  641366.8130  0.4167 -5.6115 3  920.2264109  72503 3035447 8      5446 9        s-trans-Propenoic acid
  641421.1413  0.1157 -5.2596 3 1043.2056169  72503 303841866      831965        s-trans-Propenoic acid
  641474.7639  0.1195 -4.8014 3  614.1878125  72503 303621845      611744        s-trans-Propenoic acid
  641512.3813  0.4159 -5.6378 3  906.6435107  72503 3035347 6      5346 7        s-trans-Propenoic acid
  641512.3813  0.4159 -5.6378 3  906.6435107  72503 3035347 7      5346 8        s-trans-Propenoic acid
  641516.2974  0.0398 -4.4853 3  505.6467111  72503 303551838      541737        s-trans-Propenoic acid
  641560.3581  0.1180 -4.5086 3 1043.2056169  72503 303841966      831965        s-trans-Propenoic acid
  641655.4640  0.1193 -4.5084 3 1043.1978169  72503 303841866      831865        s-trans-Propenoic acid
  641721.8918  0.0263 -5.2055 3  394.8090 99  72503 303491336      481137        s-trans-Propenoic acid
  641788.5315  0.1548 -5.2870 3 1010.2042165  72503 303822063      811962        s-trans-Propenoic acid
  641793.4846  0.0537 -5.4123 3 1040.5736167  72503 303832063      822162        s-trans-Propenoic acid
  641794.6807  0.1217 -5.2590 3 1043.1978169  72503 303841966      831865        s-trans-Propenoic acid
  641821.2690  0.4100 -5.0557 3 1273.2164169  72503 303843846      833845        s-trans-Propenoic acid
  641821.2690  0.4100 -5.0557 3 1273.2164169  72503 303843847      833846        s-trans-Propenoic acid
  641882.3854  0.0919 -5.3098 3 1031.6120167  72503 303831964      822063        s-trans-Propenoic acid
  641942.9069  0.0423 -4.0713 3  397.9246 85  72503 303422418      412319        s-trans-Propenoic acid
  641942.9069  0.0423 -4.0713 3  397.9246 85  72503 303422419      412318        s-trans-Propenoic acid
  641957.5408  0.0820 -4.3736 3  964.9919159  72503 303792257      782256        s-trans-Propenoic acid
  642188.9206  0.0168 -5.3116 3  336.0650 91  72503 303451134      44 935        s-trans-Propenoic acid
  642261.9255  0.0230 -5.2643 3  364.8666 95  72503 303471235      461036        s-trans-Propenoic acid
  642418.3187  0.2093 -4.7272 3 1131.9222167  72503 303833054      823053        s-trans-Propenoic acid
  642418.3537  0.2093 -4.7272 3 1131.9222167  72503 303833053      823052        s-trans-Propenoic acid
  642513.2327  0.0931 -3.9087 3  369.5908 63  72503 3033130 1      3029 2        s-trans-Propenoic acid
  642513.2327  0.0931 -3.9087 3  369.5908 63  72503 3033130 2      3029 1        s-trans-Propenoic acid
  642596.0581  0.3840 -5.0140 3 1256.4315169  72503 303843747      833746        s-trans-Propenoic acid
  642596.0581  0.3840 -5.0140 3 1256.4315169  72503 303843748      833747        s-trans-Propenoic acid
  642621.5732  0.1234 -4.5752 3 1063.7707165  72503 303822657      812656        s-trans-Propenoic acid
  642654.2409  0.0832 -4.4894 3 1023.0429163  72503 303812457      802456        s-trans-Propenoic acid
  642734.0799  0.1228 -4.5751 3 1063.7756165  72503 303822656      812655        s-trans-Propenoic acid
  642765.3360  0.0801 -4.4479 3 1005.8890163  72503 303812260      802259        s-trans-Propenoic acid
  642769.2555  0.0379 -4.1128 3  409.2896 89  72503 303442321      432222        s-trans-Propenoic acid
  642769.2555  0.0379 -4.1128 3  409.2896 89  72503 303442322      432221        s-trans-Propenoic acid
  642887.5967  0.0784 -4.4673 3 1014.1359163  72503 303812359      802358        s-trans-Propenoic acid
  642933.7117  0.0328 -4.2774 3  453.1925101  72503 303502031      491930        s-trans-Propenoic acid
  642934.8349  0.0328 -4.2774 3  453.1925101  72503 303502030      491931        s-trans-Propenoic acid
  643013.4624  0.1604 -4.6433 3 1150.7814197  72503 30398 593      97 592        s-trans-Propenoic acid
  643013.4624  0.1604 -5.0764 3 1150.7814197  72503 30398 593      97 692        s-trans-Propenoic acid
  643013.4624  0.1604 -5.0764 3 1150.7814197  72503 30398 693      97 592        s-trans-Propenoic acid
  643013.4624  0.1604 -4.6433 3 1150.7814197  72503 30398 693      97 692        s-trans-Propenoic acid
  643015.1214  0.1726 -4.6426 3 1153.3846199  72503 30399 495      98 494        s-trans-Propenoic acid
  643015.1214  0.1726 -5.0642 3 1153.3846199  72503 30399 495      98 594        s-trans-Propenoic acid
  643015.1214  0.1726 -5.0642 3 1153.3846199  72503 30399 595      98 494        s-trans-Propenoic acid
  643015.1214  0.1726 -4.6426 3 1153.3846199  72503 30399 595      98 594        s-trans-Propenoic acid
  643018.7640  0.1521 -4.6430 3 1147.6475195  72503 30397 691      96 690        s-trans-Propenoic acid
  643018.7640  0.1521 -5.0883 3 1147.6475195  72503 30397 691      96 790        s-trans-Propenoic acid
  643018.7640  0.1521 -5.0883 3 1147.6475195  72503 30397 791      96 690        s-trans-Propenoic acid
  643018.7640  0.1521 -4.6430 3 1147.6475195  72503 30397 791      96 790        s-trans-Propenoic acid
  643020.7719  0.1898 -4.6408 3 1155.4621201  72503 303A0 397      99 396        s-trans-Propenoic acid
  643020.7719  0.1898 -5.0517 3 1155.4621201  72503 303A0 397      99 496        s-trans-Propenoic acid
  643020.7719  0.1898 -5.0517 3 1155.4621201  72503 303A0 497      99 396        s-trans-Propenoic acid
  643020.7719  0.1898 -4.6408 3 1155.4621201  72503 303A0 497      99 496        s-trans-Propenoic acid
  643027.9977  0.2127 -4.6379 3 1157.0183203  72503 303A1 299      A0 298        s-trans-Propenoic acid
  643027.9977  0.2127 -5.0388 3 1157.0183203  72503 303A1 299      A0 398        s-trans-Propenoic acid
  643027.9977  0.2127 -5.0388 3 1157.0183203  72503 303A1 399      A0 298        s-trans-Propenoic acid
  643027.9977  0.2127 -4.6379 3 1157.0183203  72503 303A1 399      A0 398        s-trans-Propenoic acid
  643034.7115  0.1467 -4.6416 3 1143.9769193  72503 30396 789      95 788        s-trans-Propenoic acid
  643034.7115  0.1467 -5.1001 3 1143.9769193  72503 30396 789      95 888        s-trans-Propenoic acid
  643034.7115  0.1467 -5.1001 3 1143.9769193  72503 30396 889      95 788        s-trans-Propenoic acid
  643034.7115  0.1467 -4.6416 3 1143.9769193  72503 30396 889      95 888        s-trans-Propenoic acid
  643034.8147  0.2421 -4.6340 3 1158.0569205  72503 303A2 1A1      A1 1A0        s-trans-Propenoic acid
  643034.8147  0.2421 -5.0254 3 1158.0569205  72503 303A2 1A1      A1 2A0        s-trans-Propenoic acid
  643034.8147  0.2421 -5.0254 3 1158.0569205  72503 303A2 2A1      A1 1A0        s-trans-Propenoic acid
  643034.8147  0.2421 -4.6340 3 1158.0569205  72503 303A2 2A1      A1 2A0        s-trans-Propenoic acid
  643039.5792  0.2787 -4.6292 3 1158.5811207  72503 303A3 0A3      A2 0A2        s-trans-Propenoic acid
  643039.5792  0.2787 -5.0116 3 1158.5811207  72503 303A3 0A3      A2 1A2        s-trans-Propenoic acid
  643039.5792  0.2787 -5.0116 3 1158.5811207  72503 303A3 1A3      A2 0A2        s-trans-Propenoic acid
  643039.5792  0.2787 -4.6292 3 1158.5811207  72503 303A3 1A3      A2 1A2        s-trans-Propenoic acid
  643065.9289  0.1433 -4.6390 3 1139.7627191  72503 30395 887      94 886        s-trans-Propenoic acid
  643065.9289  0.1433 -5.1117 3 1139.7627191  72503 30395 887      94 986        s-trans-Propenoic acid
  643065.9289  0.1433 -5.1117 3 1139.7627191  72503 30395 987      94 886        s-trans-Propenoic acid
  643065.9289  0.1433 -4.6390 3 1139.7627191  72503 30395 987      94 986        s-trans-Propenoic acid
  643118.2890  0.1410 -4.6354 3 1134.9967189  72503 30394 985      93 984        s-trans-Propenoic acid
  643118.2890  0.1410 -5.1234 3 1134.9967189  72503 30394 985      931084        s-trans-Propenoic acid
  643118.2890  0.1410 -5.1234 3 1134.9967189  72503 303941085      93 984        s-trans-Propenoic acid
  643118.2890  0.1410 -4.6354 3 1134.9967189  72503 303941085      931084        s-trans-Propenoic acid
  643199.3538  0.1394 -4.6305 3 1129.6692187  72503 303931083      921082        s-trans-Propenoic acid
  643199.3538  0.1394 -5.1353 3 1129.6692187  72503 303931083      921182        s-trans-Propenoic acid
  643199.3538  0.1394 -5.1353 3 1129.6692187  72503 303931183      921082        s-trans-Propenoic acid
  643199.3538  0.1394 -4.6305 3 1129.6692187  72503 303931183      921182        s-trans-Propenoic acid
  643319.0184  0.1381 -4.6244 3 1123.7685185  72503 303921181      911180        s-trans-Propenoic acid
  643319.0184  0.1381 -5.1475 3 1123.7685185  72503 303921181      911280        s-trans-Propenoic acid
  643319.0184  0.1381 -5.1475 3 1123.7685185  72503 303921281      911180        s-trans-Propenoic acid
  643319.0184  0.1381 -4.6244 3 1123.7685185  72503 303921281      911280        s-trans-Propenoic acid
  643331.6784  0.0348 -4.1599 3  422.2562 93  72503 303462225      452124        s-trans-Propenoic acid
  643331.6785  0.0348 -4.1599 3  422.2562 93  72503 303462224      452125        s-trans-Propenoic acid
  643437.5868  0.3584 -4.9734 3 1240.1470169  72503 303843648      833647        s-trans-Propenoic acid
  643437.5868  0.3584 -4.9734 3 1240.1470169  72503 303843649      833648        s-trans-Propenoic acid
  643475.3931  0.0332 -4.2140 3  436.8690 97  72503 303482128      472027        s-trans-Propenoic acid
  643475.4077  0.0332 -4.2140 3  436.8690 97  72503 303482127      472028        s-trans-Propenoic acid
  643490.4786  0.1367 -4.6171 3 1117.2804183  72503 303911279      901278        s-trans-Propenoic acid
  643490.4786  0.1367 -5.1603 3 1117.2804183  72503 303911279      901378        s-trans-Propenoic acid
  643490.4786  0.1367 -5.1603 3 1117.2804183  72503 303911379      901278        s-trans-Propenoic acid
  643490.4786  0.1367 -4.6171 3 1117.2804183  72503 303911379      901378        s-trans-Propenoic acid
  643518.5630  0.1143 -4.4878 3 1031.6120167  72503 303832064      822063        s-trans-Propenoic acid
  643666.4766  0.2394 -5.0348 3  743.2047139  72503 303691951      681850        s-trans-Propenoic acid
  643693.7340  0.7654 -5.6196 3 1511.0709171  72503 303854936      844935        s-trans-Propenoic acid
  643693.7340  0.7654 -5.6196 3 1511.0709171  72503 303854937      844936        s-trans-Propenoic acid
  643731.7394  0.1352 -5.1740 3 1110.1875181  72503 303901377      891476        s-trans-Propenoic acid
  643731.7394  0.1352 -4.6084 3 1110.1875181  72503 303901477      891476        s-trans-Propenoic acid
  643731.7395  0.1352 -4.6084 3 1110.1875181  72503 303901377      891376        s-trans-Propenoic acid
  643731.7395  0.1352 -5.1740 3 1110.1875181  72503 303901477      891376        s-trans-Propenoic acid
  643755.1007  0.0821 -3.9304 3  372.3118 67  72503 3033329 4      3228 5        s-trans-Propenoic acid
  643755.1007  0.0821 -3.9304 3  372.3118 67  72503 3033329 5      3228 4        s-trans-Propenoic acid
  644068.0736  0.1334 -5.1890 3 1102.4682179  72503 303891475      881574        s-trans-Propenoic acid
  644068.0741  0.1334 -4.5983 3 1102.4682179  72503 303891575      881574        s-trans-Propenoic acid
  644068.0746  0.1334 -4.5983 3 1102.4682179  72503 303891475      881474        s-trans-Propenoic acid
  644068.0751  0.1334 -5.1890 3 1102.4682179  72503 303891575      881474        s-trans-Propenoic acid
  644102.7277  0.7313 -5.5644 3 1489.0089171  72503 303854837      844836        s-trans-Propenoic acid
  644102.7277  0.7313 -5.5644 3 1489.0089171  72503 303854838      844837        s-trans-Propenoic acid
  644140.6801  0.1880 -4.6944 3 1119.3237167  72503 303832955      822954        s-trans-Propenoic acid
  644141.0402  0.1880 -4.6944 3 1119.3237167  72503 303832954      822953        s-trans-Propenoic acid
  644159.2734  0.1295 -4.3845 3  975.2606161  72503 303802060      792059        s-trans-Propenoic acid
  644215.7146  0.3022 -5.2098 3  885.5286153  72503 303762057      751956        s-trans-Propenoic acid
  644356.1894  0.3334 -4.9340 3 1224.3683169  72503 303843549      833548        s-trans-Propenoic acid
  644356.1894  0.3334 -4.9340 3 1224.3683169  72503 303843550      833549        s-trans-Propenoic acid
  644388.6553  0.0374 -4.4821 3  505.5696111  72503 303551837      541738        s-trans-Propenoic acid
  644502.0395  0.1248 -4.4863 3 1031.5246167  72503 303831964      821963        s-trans-Propenoic acid
  644531.3780  0.6978 -5.5106 3 1467.4184171  72503 303854738      844737        s-trans-Propenoic acid
  644531.3780  0.6978 -5.5106 3 1467.4184171  72503 303854739      844738        s-trans-Propenoic acid
  644536.2433  0.1314 -5.2060 3 1094.0945177  72503 303881573      871672        s-trans-Propenoic acid
  644536.2562  0.1314 -4.5866 3 1094.0945177  72503 303881673      871672        s-trans-Propenoic acid
  644536.2675  0.1314 -4.5866 3 1094.0945177  72503 303881573      871572        s-trans-Propenoic acid
  644536.2804  0.1314 -5.2060 3 1094.0945177  72503 303881673      871572        s-trans-Propenoic acid
  644981.7460  0.6650 -5.4580 3 1446.3008171  72503 303854639      844638        s-trans-Propenoic acid
  644981.7460  0.6650 -5.4580 3 1446.3008171  72503 303854640      844639        s-trans-Propenoic acid
  644982.3295  0.0721 -3.9546 3  376.5303 71  72503 3033528 7      3427 8        s-trans-Propenoic acid
  644982.3295  0.0721 -3.9546 3  376.5303 71  72503 3033528 8      3427 7        s-trans-Propenoic acid
  645026.9192  0.1012 -4.4656 3 1019.0578165  72503 303822162      812161        s-trans-Propenoic acid
  645135.9012  0.0149 -5.6120 3  221.2466 63  72503 303311615      301416        s-trans-Propenoic acid
  645136.0010  0.0149 -5.6120 3  221.2466 63  72503 303311616      301417        s-trans-Propenoic acid
  645192.0270  0.1293 -5.2258 3 1085.0299175  72503 303871671      861770        s-trans-Propenoic acid
  645192.3145  0.1293 -4.5732 3 1085.0299175  72503 303871771      861770        s-trans-Propenoic acid
  645192.5489  0.1293 -4.5732 3 1085.0299175  72503 303871671      861670        s-trans-Propenoic acid
  645192.8364  0.1293 -5.2258 3 1085.0299175  72503 303871771      861670        s-trans-Propenoic acid
  645364.5482  0.3090 -4.8958 3 1209.1022169  72503 303843450      833449        s-trans-Propenoic acid
  645364.5482  0.3090 -4.8958 3 1209.1022169  72503 303843451      833450        s-trans-Propenoic acid
  645456.1606  0.6328 -5.4067 3 1425.6577171  72503 303854540      844539        s-trans-Propenoic acid
  645456.1606  0.6328 -5.4067 3 1425.6577171  72503 303854541      844540        s-trans-Propenoic acid
  645573.9116  0.0091 -5.2560 3  330.1813 89  72503 303441332      431133        s-trans-Propenoic acid
  645790.2777  0.1052 -4.5463 3 1053.6528165  72503 303822558      812557        s-trans-Propenoic acid
  645957.2644  0.6013 -5.3567 3 1405.4909171  72503 303854441      844440        s-trans-Propenoic acid
  645957.2644  0.6013 -5.3567 3 1405.4909171  72503 303854442      844441        s-trans-Propenoic acid
  646089.6524  0.0447 -4.5190 3  520.1366113  72503 303561839      551738        s-trans-Propenoic acid
  646120.7196  0.1272 -5.2498 3 1075.2241173  72503 303861769      851868        s-trans-Propenoic acid
  646126.0672  0.1273 -4.5578 3 1075.2241173  72503 303861869      851868        s-trans-Propenoic acid
  646130.1305  0.1274 -4.5578 3 1075.2238173  72503 303861769      851768        s-trans-Propenoic acid
  646135.4781  0.1275 -5.2498 3 1075.2238173  72503 303861869      851768        s-trans-Propenoic acid
  646138.2172  0.1481 -5.3038 3 1031.5246167  72503 303832064      821963        s-trans-Propenoic acid
  646143.4011  0.1670 -4.6626 3 1107.3162167  72503 303832856      822855        s-trans-Propenoic acid
  646146.7137  0.1670 -4.6626 3 1107.3163167  72503 303832855      822854        s-trans-Propenoic acid
  646182.0360  0.0631 -3.9816 3  382.2552 75  72503 303372710      362611        s-trans-Propenoic acid
  646182.0360  0.0631 -3.9816 3  382.2552 75  72503 303372711      362610        s-trans-Propenoic acid
  646188.0863  0.0103 -5.2850 3  312.8229 85  72503 303421429      411230        s-trans-Propenoic acid
  646478.4736  0.2850 -4.8587 3 1194.3567169  72503 303843351      833350        s-trans-Propenoic acid
  646478.4736  0.2850 -4.8587 3 1194.3567169  72503 303843352      833351        s-trans-Propenoic acid
  646488.0708  0.5704 -5.3079 3 1385.8025171  72503 303854342      844341        s-trans-Propenoic acid
  646488.0708  0.5704 -5.3079 3 1385.8025171  72503 303854343      844342        s-trans-Propenoic acid
  646501.7789  0.1023 -4.5454 3 1053.6879165  72503 303822557      812556        s-trans-Propenoic acid
  646912.4163  0.0102 -5.4341 3  257.7067 73  72503 303361521      351322        s-trans-Propenoic acid
  647008.6634  0.0102 -5.4340 3  257.7034 73  72503 303361522      351323        s-trans-Propenoic acid
  647052.0327  0.5401 -5.2604 3 1366.5946171  72503 303854243      844242        s-trans-Propenoic acid
  647052.0327  0.5401 -5.2604 3 1366.5946171  72503 303854244      844243        s-trans-Propenoic acid
  647231.1440  0.0235 -5.1525 3  425.8208103  72503 303511437      501238        s-trans-Propenoic acid
  647334.7989  0.0552 -4.0118 3  389.4978 79  72503 303392613      382514        s-trans-Propenoic acid
  647334.7989  0.0552 -4.0118 3  389.4978 79  72503 303392614      382513        s-trans-Propenoic acid
  647397.4440  0.1239 -5.2808 3 1064.6057171  72503 303851867      841966        s-trans-Propenoic acid
  647479.5179  0.1254 -4.5401 3 1064.6057171  72503 303851967      841966        s-trans-Propenoic acid
  647536.6607  0.1263 -4.5400 3 1064.6011171  72503 303851867      841866        s-trans-Propenoic acid
  647618.7347  0.1278 -5.2805 3 1064.6011171  72503 303851967      841866        s-trans-Propenoic acid
  647653.1296  0.5105 -5.2140 3 1347.8698171  72503 303854144      844143        s-trans-Propenoic acid
  647653.1296  0.5105 -5.2140 3 1347.8698171  72503 303854145      844144        s-trans-Propenoic acid
  647689.4988  0.1008 -4.7466 3  597.6170123  72503 303611844      601743        s-trans-Propenoic acid
  647718.0529  0.2616 -4.8228 3 1180.1412169  72503 303843253      833252        s-trans-Propenoic acid
  647718.0534  0.2616 -4.8228 3 1180.1412169  72503 303843252      833251        s-trans-Propenoic acid
  647737.0064  0.0364 -4.3777 3  484.8343107  72503 303531935      521834        s-trans-Propenoic acid
  647843.1088  0.0363 -4.3776 3  484.8314107  72503 303531934      521835        s-trans-Propenoic acid
  647905.5956  0.1411 -4.4196 3  996.7474163  72503 303812061      802060        s-trans-Propenoic acid
  648295.9769  0.4815 -5.1689 3 1329.6311171  72503 303854045      844044        s-trans-Propenoic acid
  648295.9769  0.4815 -5.1689 3 1329.6311171  72503 303854046      844045        s-trans-Propenoic acid
  648361.2034  0.1071 -5.3256 3 1053.0774169  72503 303841965      832064        s-trans-Propenoic acid
  648411.4731  0.0485 -4.0457 3  398.2726 83  72503 303412516      402417        s-trans-Propenoic acid
  648411.4731  0.0485 -4.0457 3  398.2726 83  72503 303412517      402416        s-trans-Propenoic acid
  648514.0420  0.1463 -4.6318 3 1095.9301167  72503 303832757      822756        s-trans-Propenoic acid
  648541.0353  0.1462 -4.6318 3 1095.9312167  72503 303832756      822755        s-trans-Propenoic acid
  648974.2639  0.0076 -5.0500 3  292.1941 85  72503 30342 933      41 834        s-trans-Propenoic acid
  648985.9653  0.4531 -5.1250 3 1311.8816171  72503 303853946      843945        s-trans-Propenoic acid
  648985.9653  0.4531 -5.1250 3 1311.8816171  72503 303853947      843946        s-trans-Propenoic acid
  649052.4235  0.0076 -5.4153 3  292.1915 85  72503 30342 933      41 734        s-trans-Propenoic acid
  649067.7213  0.0601 -4.3472 3  959.2503159  72503 303792158      782157        s-trans-Propenoic acid
  649107.8997  0.0905 -4.5188 3 1044.2704165  72503 303822459      812458        s-trans-Propenoic acid
  649109.4004  0.2385 -4.7879 3 1166.4677169  72503 303843154      833153        s-trans-Propenoic acid
  649109.4067  0.2385 -4.7879 3 1166.4677169  72503 303843153      833152        s-trans-Propenoic acid
  649193.4648  0.1699 -4.6754 3 1172.2300199  72503 30399 594      98 593        s-trans-Propenoic acid
  649193.4648  0.1699 -5.1079 3 1172.2300199  72503 30399 594      98 693        s-trans-Propenoic acid
  649193.4648  0.1699 -5.1079 3 1172.2300199  72503 30399 694      98 593        s-trans-Propenoic acid
  649193.4648  0.1699 -4.6754 3 1172.2300199  72503 30399 694      98 693        s-trans-Propenoic acid
  649195.6731  0.1829 -4.6747 3 1174.8333201  72503 303A0 496      99 495        s-trans-Propenoic acid
  649195.6731  0.1829 -5.0959 3 1174.8333201  72503 303A0 496      99 595        s-trans-Propenoic acid
  649195.6731  0.1829 -5.0959 3 1174.8333201  72503 303A0 596      99 495        s-trans-Propenoic acid
  649195.6731  0.1829 -4.6747 3 1174.8333201  72503 303A0 596      99 595        s-trans-Propenoic acid
  649197.9231  0.1611 -4.6750 3 1169.0963197  72503 30398 692      97 691        s-trans-Propenoic acid
  649197.9231  0.1611 -5.1196 3 1169.0963197  72503 30398 692      97 791        s-trans-Propenoic acid
  649197.9231  0.1611 -5.1196 3 1169.0963197  72503 30398 792      97 691        s-trans-Propenoic acid
  649197.9231  0.1611 -4.6750 3 1169.0963197  72503 30398 792      97 791        s-trans-Propenoic acid
  649201.6606  0.2010 -4.6730 3 1176.9110203  72503 303A1 398      A0 397        s-trans-Propenoic acid
  649201.6606  0.2010 -5.0836 3 1176.9110203  72503 303A1 398      A0 497        s-trans-Propenoic acid
  649201.6606  0.2010 -5.0836 3 1176.9110203  72503 303A1 498      A0 397        s-trans-Propenoic acid
  649201.6606  0.2010 -4.6730 3 1176.9110203  72503 303A1 498      A0 497        s-trans-Propenoic acid
  649209.0708  0.2251 -4.6702 3 1178.4674205  72503 303A2 2A0      A1 299        s-trans-Propenoic acid
  649209.0708  0.2251 -5.0708 3 1178.4674205  72503 303A2 2A0      A1 399        s-trans-Propenoic acid
  649209.0708  0.2251 -5.0708 3 1178.4674205  72503 303A2 3A0      A1 299        s-trans-Propenoic acid
  649209.0708  0.2251 -4.6702 3 1178.4674205  72503 303A2 3A0      A1 399        s-trans-Propenoic acid
  649212.6216  0.1552 -4.6735 3 1165.4262195  72503 30397 790      96 789        s-trans-Propenoic acid
  649212.6216  0.1552 -5.1311 3 1165.4262195  72503 30397 790      96 889        s-trans-Propenoic acid
  649212.6216  0.1552 -5.1311 3 1165.4262195  72503 30397 890      96 789        s-trans-Propenoic acid
  649212.6216  0.1552 -4.6735 3 1165.4262195  72503 30397 890      96 889        s-trans-Propenoic acid
  649215.9635  0.2559 -4.6664 3 1179.5062207  72503 303A3 1A2      A2 1A1        s-trans-Propenoic acid
  649215.9635  0.2559 -5.0576 3 1179.5062207  72503 303A3 1A2      A2 2A1        s-trans-Propenoic acid
  649215.9635  0.2559 -5.0576 3 1179.5062207  72503 303A3 2A2      A2 1A1        s-trans-Propenoic acid
  649215.9635  0.2559 -4.6664 3 1179.5062207  72503 303A3 2A2      A2 2A1        s-trans-Propenoic acid
  649220.7269  0.2941 -4.6615 3 1180.0306209  72503 303A4 0A4      A3 0A3        s-trans-Propenoic acid
  649220.7269  0.2941 -5.0439 3 1180.0306209  72503 303A4 0A4      A3 1A3        s-trans-Propenoic acid
  649220.7269  0.2941 -5.0439 3 1180.0306209  72503 303A4 1A4      A3 0A3        s-trans-Propenoic acid
  649220.7269  0.2941 -4.6615 3 1180.0306209  72503 303A4 1A4      A3 1A3        s-trans-Propenoic acid
  649242.0295  0.1515 -4.6709 3 1161.2131193  72503 30396 888      95 887        s-trans-Propenoic acid
  649242.0295  0.1515 -5.1424 3 1161.2131193  72503 30396 888      95 987        s-trans-Propenoic acid
  649242.0295  0.1515 -5.1424 3 1161.2131193  72503 30396 988      95 887        s-trans-Propenoic acid
  649242.0295  0.1515 -4.6709 3 1161.2131193  72503 30396 988      95 987        s-trans-Propenoic acid
  649291.8032  0.1492 -4.6672 3 1156.4488191  72503 30395 986      94 985        s-trans-Propenoic acid
  649291.8032  0.1492 -5.1538 3 1156.4488191  72503 30395 986      941085        s-trans-Propenoic acid
  649291.8032  0.1492 -5.1538 3 1156.4488191  72503 303951086      94 985        s-trans-Propenoic acid
  649291.8032  0.1492 -4.6672 3 1156.4488191  72503 303951086      941085        s-trans-Propenoic acid
  649368.1312  0.0431 -4.0837 3  408.5988 87  72503 303432419      422320        s-trans-Propenoic acid
  649368.1312  0.0431 -4.0837 3  408.5988 87  72503 303432420      422319        s-trans-Propenoic acid
  649369.1986  0.1475 -4.6623 3 1151.1240189  72503 303941084      931083        s-trans-Propenoic acid
  649369.1986  0.1475 -5.1653 3 1151.1240189  72503 303941084      931183        s-trans-Propenoic acid
  649369.1986  0.1475 -5.1653 3 1151.1240189  72503 303941184      931083        s-trans-Propenoic acid
  649369.1986  0.1475 -4.6623 3 1151.1240189  72503 303941184      931183        s-trans-Propenoic acid
  649371.8385  0.1224 -4.5195 3 1053.0774169  72503 303842065      832064        s-trans-Propenoic acid
  649483.6686  0.1461 -4.6562 3 1145.2273187  72503 303931182      921181        s-trans-Propenoic acid
  649483.6686  0.1461 -5.1771 3 1145.2273187  72503 303931182      921281        s-trans-Propenoic acid
  649483.6686  0.1461 -5.1771 3 1145.2273187  72503 303931282      921181        s-trans-Propenoic acid
  649483.6686  0.1461 -4.6562 3 1145.2273187  72503 303931282      921281        s-trans-Propenoic acid
  649647.7567  0.1447 -4.6488 3 1138.7449185  72503 303921280      911279        s-trans-Propenoic acid
  649647.7567  0.1447 -5.1895 3 1138.7449185  72503 303921280      911379        s-trans-Propenoic acid
  649647.7567  0.1447 -5.1895 3 1138.7449185  72503 303921380      911279        s-trans-Propenoic acid
  649647.7567  0.1447 -4.6488 3 1138.7449185  72503 303921380      911379        s-trans-Propenoic acid
  649729.4412  0.4253 -5.0822 3 1294.6252171  72503 303853847      843846        s-trans-Propenoic acid
  649729.4412  0.4253 -5.0822 3 1294.6252171  72503 303853848      843847        s-trans-Propenoic acid
  649746.4501  0.0509 -4.5561 3  534.9448115  72503 303571840      561739        s-trans-Propenoic acid
  649857.4839  0.0060 -5.4579 3  229.3390 77  72503 30338 533      37 434        s-trans-Propenoic acid
  649860.0596  0.0060 -5.4579 3  229.3390 77  72503 30338 633      37 334        s-trans-Propenoic acid
  649878.4771  0.1431 -4.6401 3 1131.6601183  72503 303911378      901377        s-trans-Propenoic acid
  649878.4771  0.1431 -5.2026 3 1131.6601183  72503 303911378      901477        s-trans-Propenoic acid
  649878.4771  0.1431 -5.2026 3 1131.6601183  72503 303911478      901377        s-trans-Propenoic acid
  649878.4771  0.1431 -4.6401 3 1131.6601183  72503 303911478      901477        s-trans-Propenoic acid
  649879.2467  0.0353 -4.2974 3  466.0918103  72503 303512032      501931        s-trans-Propenoic acid
  649881.6424  0.0353 -4.2974 3  466.0917103  72503 303512031      501932        s-trans-Propenoic acid
  649997.3811  0.1299 -4.5186 3 1053.0229169  72503 303841965      831964        s-trans-Propenoic acid
  650035.8835  0.0927 -3.9161 3  377.4014 65  72503 3033230 2      3129 3        s-trans-Propenoic acid
  650035.8835  0.0927 -3.9161 3  377.4014 65  72503 3033230 3      3129 2        s-trans-Propenoic acid
  650073.9545  0.0890 -4.4772 3 1027.3294165  72503 303822261      812260        s-trans-Propenoic acid
  650137.6640  0.0390 -4.1266 3  420.5018 91  72503 303452322      442223        s-trans-Propenoic acid
  650137.6640  0.0390 -4.1266 3  420.5018 91  72503 303452323      442222        s-trans-Propenoic acid
  650199.5414  0.1413 -5.2170 3 1123.9520181  72503 303901476      891575        s-trans-Propenoic acid
  650199.5417  0.1413 -4.6299 3 1123.9520181  72503 303901576      891575        s-trans-Propenoic acid
  650199.5419  0.1413 -4.6299 3 1123.9520181  72503 303901476      891475        s-trans-Propenoic acid
  650199.5422  0.1413 -5.2170 3 1123.9520181  72503 303901576      891475        s-trans-Propenoic acid
  650397.3801  0.1705 -5.5596 3 1093.0742171  72503 303852164      842263        s-trans-Propenoic acid
  650533.9440  0.3981 -5.0407 3 1277.8662171  72503 303853748      843747        s-trans-Propenoic acid
  650533.9440  0.3981 -5.0407 3 1277.8662171  72503 303853749      843748        s-trans-Propenoic acid
  650614.9741  0.0365 -4.1754 3  434.0159 95  72503 303472226      462125        s-trans-Propenoic acid
  650614.9744  0.0365 -4.1754 3  434.0159 95  72503 303472225      462126        s-trans-Propenoic acid
  650628.6585  0.0353 -4.2315 3  449.1892 99  72503 303492129      482028        s-trans-Propenoic acid
  650628.6929  0.0353 -4.2315 3  449.1892 99  72503 303492128      482029        s-trans-Propenoic acid
  650645.1379  0.1393 -5.2331 3 1115.5939179  72503 303891574      881673        s-trans-Propenoic acid
  650645.1448  0.1393 -4.6183 3 1115.5939179  72503 303891674      881673        s-trans-Propenoic acid
  650645.1508  0.1393 -4.6183 3 1115.5939179  72503 303891574      881573        s-trans-Propenoic acid
  650645.1577  0.1393 -5.2331 3 1115.5939179  72503 303891674      881573        s-trans-Propenoic acid
  650687.4382  0.2159 -4.7542 3 1153.3510169  72503 303843055      833054        s-trans-Propenoic acid
  650687.5074  0.2159 -4.7542 3 1153.3510169  72503 303843054      833053        s-trans-Propenoic acid
  650755.8289  0.0077 -5.3457 3  308.4744 87  72503 303431133      42 934        s-trans-Propenoic acid
  650993.6092  0.0401 -4.5137 3  520.0062113  72503 303561838      551739        s-trans-Propenoic acid
  651008.0162  0.1456 -5.3219 3 1053.0229169  72503 303842065      831964        s-trans-Propenoic acid
  651105.7905  0.0543 -5.4159 3 1062.2951169  72503 303842064      832163        s-trans-Propenoic acid
  651194.2771  0.1115 -4.4969 3 1040.5736167  72503 303832163      822162        s-trans-Propenoic acid
  651214.9697  0.0076 -4.9960 3  308.4591 87  72503 303431133      42 834        s-trans-Propenoic acid
  651218.4963  0.0833 -4.4949 3 1035.5803165  72503 303822360      812359        s-trans-Propenoic acid
  651266.6488  0.1372 -5.2519 3 1106.5512177  72503 303881672      871771        s-trans-Propenoic acid
  651266.8064  0.1372 -4.6049 3 1106.5512177  72503 303881772      871771        s-trans-Propenoic acid
  651266.9363  0.1372 -4.6049 3 1106.5512177  72503 303881672      871671        s-trans-Propenoic acid
  651267.0939  0.1372 -5.2519 3 1106.5512177  72503 303881772      871671        s-trans-Propenoic acid
  651274.0438  0.0818 -3.9385 3  380.6345 69  72503 3033429 5      3328 6        s-trans-Propenoic acid
  651274.0438  0.0818 -3.9385 3  380.6345 69  72503 3033429 6      3328 5        s-trans-Propenoic acid
  651355.2421  0.1261 -4.6020 3 1085.2062167  72503 303832658      822657        s-trans-Propenoic acid
  651364.8861  0.0085 -5.2925 3  324.9344 89  72503 303441233      431034        s-trans-Propenoic acid
  651408.5228  0.3714 -5.0003 3 1261.6098171  72503 303853649      843648        s-trans-Propenoic acid
  651408.5228  0.3714 -5.0003 3 1261.6098171  72503 303853650      843649        s-trans-Propenoic acid
  651462.9537  0.0839 -4.6930 3  581.4098121  72503 303601843      591742        s-trans-Propenoic acid
  651546.7029  0.1250 -4.6018 3 1085.2149167  72503 303832657      822656        s-trans-Propenoic acid
  651610.9965  0.0428 -4.8082 3  473.0046109  72503 303541539      531440        s-trans-Propenoic acid
  651655.6315  0.0321 -4.6417 3  528.3471115  72503 303571740      561641        s-trans-Propenoic acid
  651789.1391  0.1475 -4.4546 3 1018.3592165  72503 303822062      812061        s-trans-Propenoic acid
  651825.9008  0.7593 -5.5893 3 1510.4938173  72503 303864838      854837        s-trans-Propenoic acid
  651825.9008  0.7593 -5.5893 3 1510.4938173  72503 303864839      854838        s-trans-Propenoic acid
  651874.9972  0.0146 -5.5783 3  229.1819 65  72503 303321616      311417        s-trans-Propenoic acid
  651875.2538  0.0146 -5.5783 3  229.1819 65  72503 303321617      311418        s-trans-Propenoic acid
  652112.6308  0.0134 -5.1771 3  307.1154 85  72503 303421330      411031        s-trans-Propenoic acid
  652136.6689  0.0591 -4.5972 3  550.0840117  72503 303581841      571740        s-trans-Propenoic acid
  652143.2402  0.1350 -5.2745 3 1096.7765175  72503 303871770      861869        s-trans-Propenoic acid
  652146.2616  0.1351 -4.5896 3 1096.7765175  72503 303871870      861869        s-trans-Propenoic acid
  652148.5878  0.1351 -4.5896 3 1096.7764175  72503 303871770      861769        s-trans-Propenoic acid
  652151.6092  0.1352 -5.2745 3 1096.7764175  72503 303871870      861769        s-trans-Propenoic acid
  652268.2756  0.7245 -5.5358 3 1488.9176173  72503 303864739      854738        s-trans-Propenoic acid
  652268.2756  0.7245 -5.5358 3 1488.9176173  72503 303864740      854739        s-trans-Propenoic acid
  652320.2021  0.0110 -5.2717 3  323.8487 87  72503 303431430      421231        s-trans-Propenoic acid
  652338.7889  0.0889 -4.4555 3 1014.7917163  72503 303812358      802357        s-trans-Propenoic acid
  652364.1700  0.3454 -4.9611 3 1245.8617171  72503 303853550      843549        s-trans-Propenoic acid
  652364.1700  0.3454 -4.9611 3 1245.8617171  72503 303853551      843550        s-trans-Propenoic acid
  652421.3839  0.3253 -5.1941 3  865.2280151  72503 303752056      741955        s-trans-Propenoic acid
  652494.2419  0.0719 -3.9635 3  385.3676 73  72503 3033628 8      3527 9        s-trans-Propenoic acid
  652494.2419  0.0719 -3.9635 3  385.3676 73  72503 3033628 9      3527 8        s-trans-Propenoic acid
  652500.4436  0.1936 -4.7216 3 1140.8099169  72503 303842956      832955        s-trans-Propenoic acid
  652501.1284  0.1936 -4.7216 3 1140.8099169  72503 303842955      832954        s-trans-Propenoic acid
  652503.9093  0.0103 -5.4109 3  267.0368 75  72503 303371522      361323        s-trans-Propenoic acid
  652661.9411  0.0067 -5.4119 3  292.1941 85  72503 303421033      41 834        s-trans-Propenoic acid
  652696.5403  0.0102 -5.4107 3  267.0303 75  72503 303371523      361324        s-trans-Propenoic acid
  652702.7693  0.0056 -5.3147 3  244.6689 79  72503 30339 633      38 534        s-trans-Propenoic acid
  652723.7966  0.0056 -5.3147 3  244.6689 79  72503 30339 733      38 434        s-trans-Propenoic acid
  652730.9461  0.0862 -4.5144 3 1044.4795165  72503 303822458      812457        s-trans-Propenoic acid
  652733.2858  0.6904 -5.4835 3 1467.8150173  72503 303864640      854639        s-trans-Propenoic acid
  652733.2858  0.6904 -5.4835 3 1467.8150173  72503 303864641      854640        s-trans-Propenoic acid
  652740.1007  0.0067 -5.0467 3  292.1915 85  72503 303421033      41 734        s-trans-Propenoic acid
  652846.4361  0.0699 -4.6429 3  565.5680119  72503 303591842      581741        s-trans-Propenoic acid
  653223.3650  0.6569 -5.4325 3 1447.1878173  72503 303864541      854540        s-trans-Propenoic acid
  653223.3650  0.6569 -5.4325 3 1447.1878173  72503 303864542      854541        s-trans-Propenoic acid
  653227.2408  0.0826 -4.3963 3  986.4053161  72503 303802258      792257        s-trans-Propenoic acid
  653283.8749  0.0141 -5.2655 3  296.0678 83  72503 303411329      401030        s-trans-Propenoic acid
  653366.9673  0.1322 -5.3033 3 1086.2033173  72503 303861868      851967        s-trans-Propenoic acid
  653397.3520  0.0061 -5.1163 3  276.1167 83  72503 30341 833      40 734        s-trans-Propenoic acid
  653408.5054  0.0061 -5.4914 3  276.1163 83  72503 30341 833      40 634        s-trans-Propenoic acid
  653414.4260  0.3199 -4.9230 3 1230.6293171  72503 303853451      843450        s-trans-Propenoic acid
  653414.4260  0.3199 -4.9230 3 1230.6293171  72503 303853452      843451        s-trans-Propenoic acid
  653415.0020  0.1332 -4.5721 3 1086.2033173  72503 303861968      851967        s-trans-Propenoic acid
  653449.0413  0.1337 -4.5720 3 1086.2006173  72503 303861868      851867        s-trans-Propenoic acid
  653497.0760  0.1347 -5.3031 3 1086.2006173  72503 303861968      851867        s-trans-Propenoic acid
  653622.7377  0.0083 -4.9721 3  324.8591 89  72503 303441233      43 934        s-trans-Propenoic acid
  653682.1753  0.0631 -3.9914 3  391.6102 77  72503 303382711      372612        s-trans-Propenoic acid
  653682.1753  0.0631 -3.9914 3  391.6102 77  72503 303382712      372611        s-trans-Propenoic acid
  653741.2774  0.6241 -5.3827 3 1427.0377173  72503 303864442      854441        s-trans-Propenoic acid
  653741.2774  0.6241 -5.3827 3 1427.0377173  72503 303864443      854442        s-trans-Propenoic acid
  654050.1406  0.0377 -4.7406 3  507.5333113  72503 303561640      551541        s-trans-Propenoic acid
  654072.0161  0.0125 -5.1026 3  318.3368 87  72503 303431331      421032        s-trans-Propenoic acid
  654097.6944  0.0056 -5.2035 3  260.2676 81  72503 30340 733      39 634        s-trans-Propenoic acid
  654099.0151  0.0056 -5.5854 3  260.2675 81  72503 30340 733      39 534        s-trans-Propenoic acid
  654169.8172  0.0396 -4.4028 3  498.6244109  72503 303541936      531835        s-trans-Propenoic acid
  654188.7120  0.0059 -5.4906 3  276.1167 83  72503 30341 933      40 734        s-trans-Propenoic acid
  654199.8655  0.0059 -5.1155 3  276.1163 83  72503 30341 933      40 634        s-trans-Propenoic acid
  654238.5101  0.0056 -5.5853 3  260.2676 81  72503 30340 833      39 634        s-trans-Propenoic acid
  654239.8308  0.0056 -5.2033 3  260.2675 81  72503 30340 833      39 534        s-trans-Propenoic acid
  654290.1781  0.5919 -5.3342 3 1407.3670173  72503 303864343      854342        s-trans-Propenoic acid
  654290.1781  0.5919 -5.3342 3 1407.3670173  72503 303864344      854343        s-trans-Propenoic acid
  654371.2084  0.0394 -4.4025 3  498.6188109  72503 303541935      531836        s-trans-Propenoic acid
  654576.2490  0.2948 -4.8861 3 1215.9209171  72503 303853352      843351        s-trans-Propenoic acid
  654576.2490  0.2948 -4.8861 3 1215.9209171  72503 303853353      843352        s-trans-Propenoic acid
  654602.8893  0.1204 -5.3437 3 1074.7382171  72503 303851966      842065        s-trans-Propenoic acid
  654617.0924  0.1716 -4.6899 3 1128.8692169  72503 303842857      832856        s-trans-Propenoic acid
  654623.1565  0.1716 -4.6899 3 1128.8695169  72503 303842856      832855        s-trans-Propenoic acid
  654661.0971  0.1076 -4.5732 3 1075.1940167  72503 303832559      822558        s-trans-Propenoic acid
  654816.4303  0.0555 -4.0226 3  399.3742 81  72503 303402614      392515        s-trans-Propenoic acid
  654816.4303  0.0555 -4.0226 3  399.3742 81  72503 303402615      392514        s-trans-Propenoic acid
  654842.3021  0.0310 -5.1623 3  429.8803103  72503 303511536      501337        s-trans-Propenoic acid
  654873.6867  0.5604 -5.2868 3 1388.1779173  72503 303864244      854243        s-trans-Propenoic acid
  654873.6867  0.5604 -5.2868 3 1388.1779173  72503 303864245      854244        s-trans-Propenoic acid
  655220.8629  0.1307 -4.5518 3 1074.7382171  72503 303852066      842065        s-trans-Propenoic acid
  655330.5419  0.2257 -4.9963 3  724.5742137  72503 303681950      671849        s-trans-Propenoic acid
  655372.5753  0.1799 -4.7080 3 1193.8848201  72503 303A0 595      99 594        s-trans-Propenoic acid
  655372.5753  0.1799 -5.1399 3 1193.8848201  72503 303A0 595      99 694        s-trans-Propenoic acid
  655372.5753  0.1799 -5.1399 3 1193.8848201  72503 303A0 695      99 594        s-trans-Propenoic acid
  655372.5753  0.1799 -4.7080 3 1193.8848201  72503 303A0 695      99 694        s-trans-Propenoic acid
  655375.3192  0.1937 -4.7074 3 1196.4881203  72503 303A1 497      A0 496        s-trans-Propenoic acid
  655375.3192  0.1937 -5.1281 3 1196.4881203  72503 303A1 497      A0 596        s-trans-Propenoic acid
  655375.3192  0.1937 -5.1281 3 1196.4881203  72503 303A1 597      A0 496        s-trans-Propenoic acid
  655375.3192  0.1937 -4.7074 3 1196.4881203  72503 303A1 597      A0 596        s-trans-Propenoic acid
  655376.2139  0.1704 -4.7076 3 1190.7512199  72503 30399 693      98 692        s-trans-Propenoic acid
  655376.2139  0.1704 -5.1514 3 1190.7512199  72503 30399 693      98 792        s-trans-Propenoic acid
  655376.2139  0.1704 -5.1514 3 1190.7512199  72503 30399 793      98 692        s-trans-Propenoic acid
  655376.2139  0.1704 -4.7076 3 1190.7512199  72503 30399 793      98 792        s-trans-Propenoic acid
  655381.6361  0.2127 -4.7057 3 1198.5660205  72503 303A2 399      A1 398        s-trans-Propenoic acid
  655381.6361  0.2127 -5.1160 3 1198.5660205  72503 303A2 399      A1 498        s-trans-Propenoic acid
  655381.6361  0.2127 -5.1160 3 1198.5660205  72503 303A2 499      A1 398        s-trans-Propenoic acid
  655381.6361  0.2127 -4.7057 3 1198.5660205  72503 303A2 499      A1 498        s-trans-Propenoic acid
  655389.2269  0.2380 -4.7030 3 1200.1227207  72503 303A3 2A1      A2 2A0        s-trans-Propenoic acid
  655389.2269  0.2380 -5.1034 3 1200.1227207  72503 303A3 2A1      A2 3A0        s-trans-Propenoic acid
  655389.2269  0.2380 -5.1034 3 1200.1227207  72503 303A3 3A1      A2 2A0        s-trans-Propenoic acid
  655389.2269  0.2380 -4.7030 3 1200.1227207  72503 303A3 3A1      A2 3A0        s-trans-Propenoic acid
  655389.7019  0.1642 -4.7060 3 1187.0816197  72503 30398 791      97 790        s-trans-Propenoic acid
  655389.7019  0.1642 -5.1626 3 1187.0816197  72503 30398 791      97 890        s-trans-Propenoic acid
  655389.7019  0.1642 -5.1626 3 1187.0816197  72503 30398 891      97 790        s-trans-Propenoic acid
  655389.7019  0.1642 -4.7060 3 1187.0816197  72503 30398 891      97 890        s-trans-Propenoic acid
  655396.1934  0.2703 -4.6992 3 1201.1617209  72503 303A4 1A3      A3 1A2        s-trans-Propenoic acid
  655396.1934  0.2703 -5.0903 3 1201.1617209  72503 303A4 1A3      A3 2A2        s-trans-Propenoic acid
  655396.1934  0.2703 -5.0903 3 1201.1617209  72503 303A4 2A3      A3 1A2        s-trans-Propenoic acid
  655396.1934  0.2703 -4.6992 3 1201.1617209  72503 303A4 2A3      A3 2A2        s-trans-Propenoic acid
  655400.9549  0.3102 -4.6945 3 1201.6863211  72503 303A5 0A5      A4 0A4        s-trans-Propenoic acid
  655400.9549  0.3102 -5.0768 3 1201.6863211  72503 303A5 0A5      A4 1A4        s-trans-Propenoic acid
  655400.9549  0.3102 -5.0768 3 1201.6863211  72503 303A5 1A5      A4 0A4        s-trans-Propenoic acid
  655400.9549  0.3102 -4.6945 3 1201.6863211  72503 303A5 1A5      A4 1A4        s-trans-Propenoic acid
  655417.3613  0.1602 -4.7034 3 1182.8695195  72503 30397 889      96 888        s-trans-Propenoic acid
  655417.3613  0.1602 -5.1737 3 1182.8695195  72503 30397 889      96 988        s-trans-Propenoic acid
  655417.3613  0.1602 -5.1737 3 1182.8695195  72503 30397 989      96 888        s-trans-Propenoic acid
  655417.3613  0.1602 -4.7034 3 1182.8695195  72503 30397 989      96 988        s-trans-Propenoic acid
  655464.6442  0.1576 -4.6996 3 1178.1069193  72503 30396 987      95 986        s-trans-Propenoic acid
  655464.6442  0.1576 -5.1848 3 1178.1069193  72503 30396 987      951086        s-trans-Propenoic acid
  655464.6442  0.1576 -5.1848 3 1178.1069193  72503 303961087      95 986        s-trans-Propenoic acid
  655464.6442  0.1576 -4.6996 3 1178.1069193  72503 303961087      951086        s-trans-Propenoic acid
  655495.9806  0.5295 -5.2407 3 1369.4732173  72503 303864145      854144        s-trans-Propenoic acid
  655495.9806  0.5295 -5.2407 3 1369.4732173  72503 303864146      854145        s-trans-Propenoic acid
  655538.5178  0.1559 -4.6947 3 1172.7846191  72503 303951085      941084        s-trans-Propenoic acid
  655538.5178  0.1559 -5.1960 3 1172.7846191  72503 303951085      941184        s-trans-Propenoic acid
  655538.5178  0.1559 -5.1960 3 1172.7846191  72503 303951185      941084        s-trans-Propenoic acid
  655538.5178  0.1559 -4.6947 3 1172.7846191  72503 303951185      941184        s-trans-Propenoic acid
  655613.5244  0.1359 -4.5512 3 1074.7044171  72503 303851966      841965        s-trans-Propenoic acid
  655648.0210  0.1544 -4.6885 3 1166.8917189  72503 303941183      931182        s-trans-Propenoic acid
  655648.0210  0.1544 -5.2074 3 1166.8917189  72503 303941183      931282        s-trans-Propenoic acid
  655648.0210  0.1544 -5.2074 3 1166.8917189  72503 303941283      931182        s-trans-Propenoic acid
  655648.0210  0.1544 -4.6885 3 1166.8917189  72503 303941283      931282        s-trans-Propenoic acid
  655805.0899  0.1530 -4.6811 3 1160.4148187  72503 303931281      921280        s-trans-Propenoic acid
  655805.0899  0.1530 -5.2193 3 1160.4148187  72503 303931281      921380        s-trans-Propenoic acid
  655805.0899  0.1530 -5.2193 3 1160.4148187  72503 303931381      921280        s-trans-Propenoic acid
  655805.0899  0.1530 -4.6811 3 1160.4148187  72503 303931381      921380        s-trans-Propenoic acid
  655807.0395  0.1032 -4.5718 3 1075.2529167  72503 303832558      822557        s-trans-Propenoic acid
  655865.0047  0.0490 -4.0576 3  408.6753 85  72503 303422517      412418        s-trans-Propenoic acid
  655865.0047  0.0490 -4.0576 3  408.6753 85  72503 303422518      412417        s-trans-Propenoic acid
  655871.3044  0.2703 -4.8503 3 1201.7468171  72503 303853254      843253        s-trans-Propenoic acid
  655871.3055  0.2703 -4.8503 3 1201.7468171  72503 303853253      843252        s-trans-Propenoic acid
  655955.7988  0.0421 -4.8781 3  439.7578105  72503 303521438      511339        s-trans-Propenoic acid
  655956.5118  0.0333 -5.1904 3  416.2145101  72503 303501535      491336        s-trans-Propenoic acid
  655974.1072  0.1510 -4.4894 3 1040.1006167  72503 303832063      822062        s-trans-Propenoic acid
  656025.8233  0.1514 -4.6723 3 1153.3377185  72503 303921379      911378        s-trans-Propenoic acid
  656025.8233  0.1514 -5.2319 3 1153.3377185  72503 303921379      911478        s-trans-Propenoic acid
  656025.8233  0.1514 -5.2319 3 1153.3377185  72503 303921479      911378        s-trans-Propenoic acid
  656025.8233  0.1514 -4.6723 3 1153.3377185  72503 303921479      911478        s-trans-Propenoic acid
  656161.9123  0.4993 -5.1958 3 1351.2559173  72503 303864046      854045        s-trans-Propenoic acid
  656161.9123  0.4993 -5.1958 3 1351.2559173  72503 303864047      854046        s-trans-Propenoic acid
  656231.4980  0.1463 -5.3414 3 1074.7044171  72503 303852066      841965        s-trans-Propenoic acid
  656312.1763  0.1041 -3.9034 3  383.2151 63  72503 3033131 0      3030 1        s-trans-Propenoic acid
  656312.1763  0.1041 -3.9034 3  383.2151 63  72503 3033131 1      3030 0        s-trans-Propenoic acid
  656332.5043  0.1496 -5.2457 3 1145.6403183  72503 303911477      901576        s-trans-Propenoic acid
  656332.5044  0.1496 -4.6622 3 1145.6403183  72503 303911577      901576        s-trans-Propenoic acid
  656332.5046  0.1496 -4.6622 3 1145.6403183  72503 303911477      901476        s-trans-Propenoic acid
  656332.5047  0.1496 -5.2457 3 1145.6403183  72503 303911577      901476        s-trans-Propenoic acid
  656483.1200  0.0745 -4.3771 3  980.9009161  72503 303802159      792158        s-trans-Propenoic acid
  656756.9908  0.1476 -5.2610 3 1137.2971181  72503 303901575      891674        s-trans-Propenoic acid
  656756.9945  0.1476 -4.6505 3 1137.2971181  72503 303901675      891674        s-trans-Propenoic acid
  656756.9977  0.1476 -4.6505 3 1137.2971181  72503 303901575      891574        s-trans-Propenoic acid
  656757.0014  0.1476 -5.2610 3 1137.2971181  72503 303901675      891574        s-trans-Propenoic acid
  656762.9628  0.0381 -4.3184 3  479.2654105  72503 303522033      511932        s-trans-Propenoic acid
  656767.9677  0.0381 -4.3184 3  479.2652105  72503 303522032      511933        s-trans-Propenoic acid
  656779.7537  0.0440 -4.0969 3  419.5339 89  72503 303442420      432321        s-trans-Propenoic acid
  656779.7537  0.0440 -4.0969 3  419.5339 89  72503 303442421      432320        s-trans-Propenoic acid
  656877.1592  0.4697 -5.1521 3 1333.5295173  72503 303863947      853946        s-trans-Propenoic acid
  656877.1592  0.4697 -5.1521 3 1333.5295173  72503 303863948      853947        s-trans-Propenoic acid
  657053.7718  0.0144 -5.3614 3  285.2140 81  72503 303401328      391029        s-trans-Propenoic acid
  657086.7534  0.0994 -4.5076 3 1049.0135167  72503 303832262      822261        s-trans-Propenoic acid
  657132.4923  0.1498 -4.6593 3 1117.5622169  72503 303842758      832757        s-trans-Propenoic acid
  657179.9110  0.1495 -4.6592 3 1117.5642169  72503 303842757      832756        s-trans-Propenoic acid
  657227.3258  0.1218 -4.5290 3 1062.2951169  72503 303842164      832163        s-trans-Propenoic acid
  657327.9543  0.2462 -4.8156 3 1188.1197171  72503 303853155      843154        s-trans-Propenoic acid
  657327.9670  0.2462 -4.8156 3 1188.1197171  72503 303853154      843153        s-trans-Propenoic acid
  657346.7008  0.1454 -5.2788 3 1128.2751179  72503 303891673      881772        s-trans-Propenoic acid
  657346.7868  0.1454 -4.6372 3 1128.2751179  72503 303891773      881772        s-trans-Propenoic acid
  657346.8584  0.1454 -4.6372 3 1128.2751179  72503 303891673      881672        s-trans-Propenoic acid
  657346.9444  0.1454 -5.2788 3 1128.2751179  72503 303891773      881672        s-trans-Propenoic acid
  657487.0831  0.0404 -4.1412 3  431.9769 93  72503 303462324      452223        s-trans-Propenoic acid
  657487.0832  0.0404 -4.1412 3  431.9769 93  72503 303462323      452224        s-trans-Propenoic acid
  657556.7824  0.0923 -3.9241 3  385.4661 67  72503 3033330 3      3229 4        s-trans-Propenoic acid
  657556.7824  0.0923 -3.9241 3  385.4661 67  72503 3033330 4      3229 3        s-trans-Propenoic acid
  657648.4194  0.4408 -5.1095 3 1316.2979173  72503 303863848      853847        s-trans-Propenoic acid
  657648.4194  0.4408 -5.1095 3 1316.2979173  72503 303863849      853848        s-trans-Propenoic acid
  657696.6583  0.0270 -5.1434 3  443.7678105  72503 303521537      511338        s-trans-Propenoic acid
  657742.5208  0.0376 -4.2498 3  461.7787101  72503 303502130      492029        s-trans-Propenoic acid
  657742.5999  0.0376 -4.2498 3  461.7787101  72503 303502129      492030        s-trans-Propenoic acid
  657807.7641  0.0104 -5.3894 3  276.6478 77  72503 303381523      371324        s-trans-Propenoic acid
  657869.4996  0.0937 -4.5464 3 1065.9223167  72503 303832460      822459        s-trans-Propenoic acid
  657871.3457  0.0384 -4.1917 3  446.0413 97  72503 303482227      472126        s-trans-Propenoic acid
  657871.3465  0.0384 -4.1917 3  446.0413 97  72503 303482226      472127        s-trans-Propenoic acid
  657924.2910  0.0426 -4.5477 3  534.7298115  72503 303571839      561740        s-trans-Propenoic acid
  658174.6818  0.1432 -5.3001 3 1118.5298177  72503 303881771      871870        s-trans-Propenoic acid
  658176.3795  0.1432 -4.6220 3 1118.5298177  72503 303881871      871870        s-trans-Propenoic acid
  658177.7032  0.1432 -4.6220 3 1118.5297177  72503 303881771      871770        s-trans-Propenoic acid
  658179.4008  0.1433 -5.3000 3 1118.5297177  72503 303881871      871770        s-trans-Propenoic acid
  658182.1251  0.0104 -5.3890 3  276.6351 77  72503 303381524      371325        s-trans-Propenoic acid
  658483.6689  0.4124 -5.0682 3 1299.5657173  72503 303863749      853748        s-trans-Propenoic acid
  658483.6689  0.4124 -5.0682 3 1299.5657173  72503 303863750      853749        s-trans-Propenoic acid
  658513.8621  0.0143 -5.5470 3  237.3840 67  72503 303331617      321418        s-trans-Propenoic acid
  658514.4975  0.0143 -5.5470 3  237.3839 67  72503 303331618      321419        s-trans-Propenoic acid
  658785.6151  0.0097 -5.2582 3  341.5708 91  72503 303451333      441134        s-trans-Propenoic acid
  658790.3377  0.0816 -3.9471 3  389.2120 71  72503 3033529 6      3428 7        s-trans-Propenoic acid
  658790.3377  0.0816 -3.9471 3  389.2120 71  72503 3033529 7      3428 6        s-trans-Propenoic acid
  658984.4469  0.2225 -4.7821 3 1175.0556171  72503 303853056      843055        s-trans-Propenoic acid
  658984.5816  0.2225 -4.7821 3 1175.0556171  72503 303853055      843054        s-trans-Propenoic acid
  659239.2955  0.0779 -5.4249 3 1084.2178171  72503 303852065      842164        s-trans-Propenoic acid
  659257.0622  0.0116 -5.2609 3  335.1310 89  72503 303441431      431232        s-trans-Propenoic acid
  659314.6732  0.0896 -4.5237 3 1057.3026167  72503 303832361      822360        s-trans-Propenoic acid
  659338.4476  0.1406 -5.3269 3 1107.9989175  72503 303871869      861968        s-trans-Propenoic acid
  659366.3677  0.1412 -4.6046 3 1107.9989175  72503 303871969      861968        s-trans-Propenoic acid
  659367.1229  0.0116 -5.0454 3  329.7212 89  72503 303441332      431033        s-trans-Propenoic acid
  659386.4823  0.1416 -4.6046 3 1107.9973175  72503 303871869      861868        s-trans-Propenoic acid
  659392.5081  0.3847 -5.0280 3 1283.3384173  72503 303863650      853649        s-trans-Propenoic acid
  659392.5081  0.3847 -5.0280 3 1283.3384173  72503 303863651      853650        s-trans-Propenoic acid
  659414.4024  0.1422 -5.3268 3 1107.9973175  72503 303871969      861868        s-trans-Propenoic acid
  659554.3954  0.7880 -5.6151 3 1532.2364175  72503 303874839      864838        s-trans-Propenoic acid
  659554.3954  0.7880 -5.6151 3 1532.2364175  72503 303874840      864839        s-trans-Propenoic acid
  659697.9241  0.0331 -5.2200 3  402.8043 99  72503 303491534      481335        s-trans-Propenoic acid
  660002.2967  0.0718 -3.9729 3  394.4606 75  72503 3033728 9      362710        s-trans-Propenoic acid
  660002.2967  0.0718 -3.9729 3  394.4606 75  72503 303372810      3627 9        s-trans-Propenoic acid
  660010.8422  0.7518 -5.5619 3 1510.6749175  72503 303874740      864739        s-trans-Propenoic acid
  660010.8422  0.7518 -5.5619 3 1510.6749175  72503 303874741      864740        s-trans-Propenoic acid
  660141.5274  0.1288 -4.6296 3 1106.9331169  72503 303842659      832658        s-trans-Propenoic acid
  660386.6382  0.3575 -4.9889 3 1267.6223173  72503 303863551      853550        s-trans-Propenoic acid
  660386.6382  0.3575 -4.9889 3 1267.6223173  72503 303863552      853551        s-trans-Propenoic acid
  660441.9312  0.0431 -4.4293 3  512.6999111  72503 303551937      541836        s-trans-Propenoic acid
  660462.4520  0.1270 -4.6292 3 1106.9482169  72503 303842658      832657        s-trans-Propenoic acid
  660490.8736  0.7163 -5.5099 3 1489.5879175  72503 303874641      864640        s-trans-Propenoic acid
  660490.8736  0.7163 -5.5099 3 1489.5879175  72503 303874642      864641        s-trans-Propenoic acid
  660506.5830  0.1535 -4.5240 3 1061.9815169  72503 303842064      832063        s-trans-Propenoic acid
  660701.4263  0.1322 -5.3636 3 1096.5940173  72503 303861967      852066        s-trans-Propenoic acid
  660816.7381  0.0428 -4.4289 3  512.6896111  72503 303551936      541837        s-trans-Propenoic acid
  660894.1282  0.1992 -4.7495 3 1162.5750171  72503 303852957      842956        s-trans-Propenoic acid
  660895.4141  0.1992 -4.7495 3 1162.5750171  72503 303852956      842955        s-trans-Propenoic acid
  660997.0328  0.6814 -5.4591 3 1468.9770175  72503 303874542      864541        s-trans-Propenoic acid
  660997.0328  0.6814 -5.4591 3 1468.9770175  72503 303874543      864542        s-trans-Propenoic acid
  661075.8042  0.1391 -4.5846 3 1096.5940173  72503 303862067      852066        s-trans-Propenoic acid
  661111.6885  0.0108 -5.0084 3  319.2151 89  72503 303441034      43 935        s-trans-Propenoic acid
  661176.8369  0.0632 -4.0017 3  401.2218 79  72503 303392712      382613        s-trans-Propenoic acid
  661176.8369  0.0632 -4.0017 3  401.2218 79  72503 303392713      382612        s-trans-Propenoic acid
  661319.3999  0.1426 -4.5842 3 1096.5734173  72503 303861967      851966        s-trans-Propenoic acid
  661374.6634  0.0107 -5.3638 3  319.2063 89  72503 303441034      43 835        s-trans-Propenoic acid
  661480.5298  0.3309 -4.9510 3 1252.4248173  72503 303863453      853452        s-trans-Propenoic acid
  661480.5299  0.3309 -4.9510 3 1252.4248173  72503 303863452      853451        s-trans-Propenoic acid
  661532.2109  0.6473 -5.4096 3 1448.8442175  72503 303874443      864442        s-trans-Propenoic acid
  661532.2109  0.6473 -5.4096 3 1448.8442175  72503 303874444      864443        s-trans-Propenoic acid
  661550.7839  0.1904 -4.7412 3 1215.7457203  72503 303A1 596      A0 595        s-trans-Propenoic acid
  661550.7839  0.1904 -5.1725 3 1215.7457203  72503 303A1 596      A0 695        s-trans-Propenoic acid
  661550.7839  0.1904 -5.1725 3 1215.7457203  72503 303A1 696      A0 595        s-trans-Propenoic acid
  661550.7839  0.1904 -4.7412 3 1215.7457203  72503 303A1 696      A0 695        s-trans-Propenoic acid
  661553.6253  0.1803 -4.7407 3 1212.6122201  72503 303A0 694      99 693        s-trans-Propenoic acid
  661553.6253  0.1803 -5.1837 3 1212.6122201  72503 303A0 694      99 793        s-trans-Propenoic acid
  661553.6253  0.1803 -5.1837 3 1212.6122201  72503 303A0 794      99 693        s-trans-Propenoic acid
  661553.6253  0.1803 -4.7407 3 1212.6122201  72503 303A0 794      99 793        s-trans-Propenoic acid
  661554.0502  0.2049 -4.7406 3 1218.3491205  72503 303A2 498      A1 497        s-trans-Propenoic acid
  661554.0502  0.2049 -5.1609 3 1218.3491205  72503 303A2 498      A1 597        s-trans-Propenoic acid
  661554.0502  0.2049 -5.1609 3 1218.3491205  72503 303A2 598      A1 497        s-trans-Propenoic acid
  661554.0502  0.2049 -4.7406 3 1218.3491205  72503 303A2 598      A1 597        s-trans-Propenoic acid
  661560.6892  0.2250 -4.7390 3 1220.4272207  72503 303A3 3A0      A2 399        s-trans-Propenoic acid
  661560.6892  0.2250 -5.1489 3 1220.4272207  72503 303A3 3A0      A2 499        s-trans-Propenoic acid
  661560.6892  0.2250 -5.1489 3 1220.4272207  72503 303A3 4A0      A2 399        s-trans-Propenoic acid
  661560.6892  0.2250 -4.7390 3 1220.4272207  72503 303A3 4A0      A2 499        s-trans-Propenoic acid
  661565.9392  0.1736 -4.7391 3 1208.9431199  72503 30399 792      98 791        s-trans-Propenoic acid
  661565.9392  0.1736 -5.1947 3 1208.9431199  72503 30399 792      98 891        s-trans-Propenoic acid
  661565.9392  0.1736 -5.1947 3 1208.9431199  72503 30399 892      98 791        s-trans-Propenoic acid
  661565.9392  0.1736 -4.7391 3 1208.9431199  72503 30399 892      98 891        s-trans-Propenoic acid
  661568.4568  0.2516 -4.7363 3 1221.9841209  72503 303A4 2A2      A3 2A1        s-trans-Propenoic acid
  661568.4568  0.2516 -5.1365 3 1221.9841209  72503 303A4 2A2      A3 3A1        s-trans-Propenoic acid
  661568.4568  0.2516 -5.1365 3 1221.9841209  72503 303A4 3A2      A3 2A1        s-trans-Propenoic acid
  661568.4568  0.2516 -4.7363 3 1221.9841209  72503 303A4 3A2      A3 3A1        s-trans-Propenoic acid
  661575.4956  0.2853 -4.7326 3 1223.0234211  72503 303A5 1A4      A4 1A3        s-trans-Propenoic acid
  661575.4956  0.2853 -5.1236 3 1223.0234211  72503 303A5 1A4      A4 2A3        s-trans-Propenoic acid
  661575.4956  0.2853 -5.1236 3 1223.0234211  72503 303A5 2A4      A4 1A3        s-trans-Propenoic acid
  661575.4956  0.2853 -4.7326 3 1223.0234211  72503 303A5 2A4      A4 2A3        s-trans-Propenoic acid
  661580.2545  0.3269 -4.7279 3 1223.5481213  72503 303A6 0A6      A5 0A5        s-trans-Propenoic acid
  661580.2545  0.3269 -5.1102 3 1223.5481213  72503 303A6 0A6      A5 1A5        s-trans-Propenoic acid
  661580.2545  0.3269 -5.1102 3 1223.5481213  72503 303A6 1A6      A5 0A5        s-trans-Propenoic acid
  661580.2545  0.3269 -4.7279 3 1223.5481213  72503 303A6 1A6      A5 1A5        s-trans-Propenoic acid
  661591.9082  0.1693 -4.7364 3 1204.7318197  72503 30398 890      97 889        s-trans-Propenoic acid
  661591.9082  0.1693 -5.2056 3 1204.7318197  72503 30398 890      97 989        s-trans-Propenoic acid
  661591.9082  0.1693 -5.2056 3 1204.7318197  72503 30398 990      97 889        s-trans-Propenoic acid
  661591.9082  0.1693 -4.7364 3 1204.7318197  72503 30398 990      97 989        s-trans-Propenoic acid
  661636.7904  0.1665 -4.7326 3 1199.9708195  72503 30397 988      96 987        s-trans-Propenoic acid
  661636.7904  0.1665 -5.2164 3 1199.9708195  72503 30397 988      961087        s-trans-Propenoic acid
  661636.7904  0.1665 -5.2164 3 1199.9708195  72503 303971088      96 987        s-trans-Propenoic acid
  661636.7904  0.1665 -4.7326 3 1199.9708195  72503 303971088      961087        s-trans-Propenoic acid
  661693.7777  0.1495 -5.3622 3 1096.5734173  72503 303862067      851966        s-trans-Propenoic acid
  661707.2810  0.1646 -4.7276 3 1194.6510193  72503 303961086      951085        s-trans-Propenoic acid
  661707.2810  0.1646 -5.2272 3 1194.6510193  72503 303961086      951185        s-trans-Propenoic acid
  661707.2810  0.1646 -5.2272 3 1194.6510193  72503 303961186      951085        s-trans-Propenoic acid
  661707.2810  0.1646 -4.7276 3 1194.6510193  72503 303961186      951185        s-trans-Propenoic acid
  661812.0307  0.1631 -4.7214 3 1188.7618191  72503 303951184      941183        s-trans-Propenoic acid
  661812.0307  0.1631 -5.2383 3 1188.7618191  72503 303951184      941283        s-trans-Propenoic acid
  661812.0307  0.1631 -5.2383 3 1188.7618191  72503 303951284      941183        s-trans-Propenoic acid
  661812.0307  0.1631 -4.7214 3 1188.7618191  72503 303951284      941283        s-trans-Propenoic acid
  661962.4094  0.1617 -4.7139 3 1182.2901189  72503 303941282      931281        s-trans-Propenoic acid
  661962.4094  0.1617 -5.2497 3 1182.2901189  72503 303941282      931381        s-trans-Propenoic acid
  661962.4094  0.1617 -5.2497 3 1182.2901189  72503 303941382      931281        s-trans-Propenoic acid
  661962.4094  0.1617 -4.7139 3 1182.2901189  72503 303941382      931381        s-trans-Propenoic acid
  662099.7115  0.6138 -5.3613 3 1429.1918175  72503 303874344      864343        s-trans-Propenoic acid
  662099.7115  0.6138 -5.3613 3 1429.1918175  72503 303874345      864344        s-trans-Propenoic acid
  662173.6689  0.1601 -4.7051 3 1175.2204187  72503 303931380      921379        s-trans-Propenoic acid
  662173.6689  0.1601 -5.2619 3 1175.2204187  72503 303931380      921479        s-trans-Propenoic acid
  662173.6689  0.1601 -5.2619 3 1175.2204187  72503 303931480      921379        s-trans-Propenoic acid
  662173.6689  0.1601 -4.7051 3 1175.2204187  72503 303931480      921479        s-trans-Propenoic acid
  662290.4075  0.0558 -4.0340 3  409.5086 83  72503 303412615      402516        s-trans-Propenoic acid
  662290.4075  0.0558 -4.0340 3  409.5086 83  72503 303412616      402515        s-trans-Propenoic acid
  662466.7817  0.1583 -5.2750 3 1167.5332185  72503 303921478      911577        s-trans-Propenoic acid
  662466.7818  0.1583 -4.6949 3 1167.5332185  72503 303921478      911477        s-trans-Propenoic acid
  662466.7818  0.1583 -4.6949 3 1167.5332185  72503 303921578      911577        s-trans-Propenoic acid
  662466.7819  0.1583 -5.2750 3 1167.5332185  72503 303921578      911477        s-trans-Propenoic acid
  662619.7601  0.1000 -4.4100 3 1002.7988163  72503 303812160      802159        s-trans-Propenoic acid
  662650.2190  0.0142 -5.4575 3  274.5808 79  72503 303391327      381028        s-trans-Propenoic acid
  662692.3942  0.3047 -4.9143 3 1237.7552173  72503 303863354      853353        s-trans-Propenoic acid
  662692.3944  0.3047 -4.9143 3 1237.7552173  72503 303863353      853352        s-trans-Propenoic acid
  662703.3295  0.5811 -5.3142 3 1410.0222175  72503 303874245      864244        s-trans-Propenoic acid
  662703.3295  0.5811 -5.3142 3 1410.0222175  72503 303874246      864245        s-trans-Propenoic acid
  662754.4403  0.0108 -5.3697 3  286.5434 79  72503 303391524      381325        s-trans-Propenoic acid
  662782.8126  0.3369 -5.1728 3  845.0855149  72503 303742055      731954        s-trans-Propenoic acid
  662871.4913  0.1562 -5.2897 3 1159.2042183  72503 303911576      901675        s-trans-Propenoic acid
  662871.4933  0.1562 -4.6833 3 1159.2042183  72503 303911676      901675        s-trans-Propenoic acid
  662871.4950  0.1562 -4.6833 3 1159.2042183  72503 303911576      901575        s-trans-Propenoic acid
  662871.4970  0.1562 -5.2897 3 1159.2042183  72503 303911676      901575        s-trans-Propenoic acid
  663019.3512  0.0353 -4.9313 3  407.7644101  72503 303501337      491238        s-trans-Propenoic acid
  663133.0211  0.1760 -4.7181 3 1150.7049171  72503 303852858      842857        s-trans-Propenoic acid
  663139.9579  0.1011 -5.5527 3 1115.4333173  72503 303862165      852264        s-trans-Propenoic acid
  663143.9802  0.1760 -4.7180 3 1150.7053171  72503 303852857      842856        s-trans-Propenoic acid
  663164.8222  0.1321 -4.5618 3 1084.2178171  72503 303852165      842164        s-trans-Propenoic acid
  663245.2032  0.0924 -4.5399 3 1066.2523167  72503 303832459      822458        s-trans-Propenoic acid
  663307.9316  0.0498 -4.0701 3  419.3375 87  72503 303432518      422419        s-trans-Propenoic acid
  663307.9316  0.0498 -4.0701 3  419.3375 87  72503 303432519      422418        s-trans-Propenoic acid
  663347.4507  0.5490 -5.2683 3 1391.3382175  72503 303874146      864145        s-trans-Propenoic acid
  663347.4507  0.5490 -5.2683 3 1391.3382175  72503 303874147      864146        s-trans-Propenoic acid
  663431.6450  0.1540 -5.3065 3 1150.2018181  72503 303901674      891773        s-trans-Propenoic acid
  663431.6917  0.1540 -4.6700 3 1150.2018181  72503 303901774      891773        s-trans-Propenoic acid
  663431.7310  0.1540 -4.6700 3 1150.2018181  72503 303901674      891673        s-trans-Propenoic acid
  663431.7778  0.1540 -5.3065 3 1150.2018181  72503 303901774      891673        s-trans-Propenoic acid
  663461.1474  0.0107 -5.3689 3  286.5194 79  72503 303391525      381326        s-trans-Propenoic acid
  663548.5528  0.1101 -4.6010 3 1097.0312169  72503 303842560      832559        s-trans-Propenoic acid
  663578.1118  0.0412 -4.3405 3  492.7146107  72503 303532034      521933        s-trans-Propenoic acid
  663588.3598  0.0412 -4.3405 3  492.7143107  72503 303532033      521934        s-trans-Propenoic acid
  663821.2960  0.1110 -4.5392 3 1070.9315169  72503 303842263      832262        s-trans-Propenoic acid
  663833.8435  0.1037 -3.9112 3  391.0228 65  72503 3033231 1      3130 2        s-trans-Propenoic acid
  663833.8435  0.1037 -3.9112 3  391.0228 65  72503 3033231 2      3130 1        s-trans-Propenoic acid
  663846.9368  0.0781 -4.4210 3 1008.1946163  72503 303812259      802258        s-trans-Propenoic acid
  663881.3322  0.0991 -4.4791 3 1036.5514165  72503 303822359      812358        s-trans-Propenoic acid
  664037.1776  0.5175 -5.2235 3 1373.1431175  72503 303874047      864046        s-trans-Propenoic acid
  664037.1776  0.5175 -5.2235 3 1373.1431175  72503 303874048      864047        s-trans-Propenoic acid
  664045.6361  0.2791 -4.8786 3 1223.6243173  72503 303863255      853254        s-trans-Propenoic acid
  664045.6383  0.2791 -4.8786 3 1223.6243173  72503 303863254      853253        s-trans-Propenoic acid
  664176.7004  0.0452 -4.1107 3  430.7301 91  72503 303452421      442322        s-trans-Propenoic acid
  664176.7004  0.0452 -4.1107 3  430.7301 91  72503 303452422      442321        s-trans-Propenoic acid
  664214.4730  0.1517 -5.3265 3 1140.4842179  72503 303891772      881871        s-trans-Propenoic acid
  664215.4219  0.1517 -4.6549 3 1140.4842179  72503 303891872      881871        s-trans-Propenoic acid
  664216.1707  0.1517 -4.6549 3 1140.4841179  72503 303891772      881771        s-trans-Propenoic acid
  664217.1196  0.1518 -5.3265 3 1140.4841179  72503 303891872      881771        s-trans-Propenoic acid
  664679.2835  0.0310 -5.2454 3  389.6825 97  72503 303481533      471334        s-trans-Propenoic acid
  664778.4919  0.4867 -5.1800 3 1355.4405175  72503 303873948      863947        s-trans-Propenoic acid
  664778.4919  0.4867 -5.1800 3 1355.4405175  72503 303873949      863948        s-trans-Propenoic acid
  664813.6161  0.0403 -4.2691 3  474.6385103  72503 303512131      502030        s-trans-Propenoic acid
  664813.7942  0.0403 -4.2691 3  474.6385103  72503 303512130      502031        s-trans-Propenoic acid
  664816.0451  0.0421 -4.1566 3  443.7154 95  72503 303472324      462225        s-trans-Propenoic acid
  664816.0451  0.0421 -4.1566 3  443.7154 95  72503 303472325      462224        s-trans-Propenoic acid
  665042.0722  0.0140 -5.5178 3  245.8540 69  72503 303341618      331419        s-trans-Propenoic acid
  665043.5901  0.0140 -5.5178 3  245.8539 69  72503 303341619      331420        s-trans-Propenoic acid
  665073.3417  0.0358 -4.6928 3  543.3836117  72503 303581741      571642        s-trans-Propenoic acid
  665075.6663  0.0920 -3.9325 3  393.7851 69  72503 3033430 4      3329 5        s-trans-Propenoic acid
  665075.6663  0.0920 -3.9325 3  393.7851 69  72503 3033430 5      3329 4        s-trans-Propenoic acid
  665098.6709  0.0405 -4.2088 3  458.3330 99  72503 303492228      482127        s-trans-Propenoic acid
  665098.6729  0.0405 -4.2088 3  458.3330 99  72503 303492227      482128        s-trans-Propenoic acid
  665316.5861  0.1493 -5.3515 3 1129.9930177  72503 303881870      871969        s-trans-Propenoic acid
  665332.7092  0.1497 -4.6376 3 1129.9930177  72503 303881970      871969        s-trans-Propenoic acid
  665344.5062  0.1499 -4.6376 3 1129.9921177  72503 303881870      871869        s-trans-Propenoic acid
  665358.7909  0.1042 -4.5989 3 1097.1282169  72503 303842559      832558        s-trans-Propenoic acid
  665360.6293  0.1503 -5.3514 3 1129.9921177  72503 303881970      871869        s-trans-Propenoic acid
  665360.8308  0.1563 -4.5585 3 1084.0136171  72503 303852065      842064        s-trans-Propenoic acid
  665374.8997  0.2706 -5.3781 3 1040.1006167  72503 303832163      822062        s-trans-Propenoic acid
  665433.4265  0.0445 -4.5844 3  549.7388117  72503 303581840      571741        s-trans-Propenoic acid
  665571.1192  0.2539 -4.8441 3 1210.0458173  72503 303863156      853155        s-trans-Propenoic acid
  665571.1445  0.2539 -4.8441 3 1210.0458173  72503 303863155      853154        s-trans-Propenoic acid
  665572.5511  0.0241 -5.1410 3  457.8460107  72503 303531538      521339        s-trans-Propenoic acid
  665578.4652  0.4566 -5.1377 3 1338.2347175  72503 303873849      863848        s-trans-Propenoic acid
  665578.4652  0.4566 -5.1377 3 1338.2347175  72503 303873850      863849        s-trans-Propenoic acid
  665802.4603  0.1532 -4.6875 3 1139.4818171  72503 303852759      842758        s-trans-Propenoic acid
  665884.6229  0.1526 -4.6874 3 1139.4854171  72503 303852758      842757        s-trans-Propenoic acid
  665969.7617  0.3097 -5.3633 3 1018.3592165  72503 303822162      812061        s-trans-Propenoic acid
  666303.6514  0.0814 -3.9563 3  398.0446 73  72503 3033629 7      3528 8        s-trans-Propenoic acid
  666303.6514  0.0814 -3.9563 3  398.0446 73  72503 3033629 8      3528 7        s-trans-Propenoic acid
  666398.6189  0.2051 -4.9491 3  706.2241135  72503 303671949      661848        s-trans-Propenoic acid
  666445.5400  0.4270 -5.0965 3 1321.5304175  72503 303873750      863749        s-trans-Propenoic acid
  666445.5400  0.4270 -5.0965 3 1321.5304175  72503 303873751      863750        s-trans-Propenoic acid
  666506.6381  0.0470 -4.4575 3  527.0641113  72503 303561938      551837        s-trans-Propenoic acid
  666520.4324  0.0976 -4.5749 3 1087.8665169  72503 303842461      832460        s-trans-Propenoic acid
  666556.2123  0.1029 -5.4382 3 1106.3386173  72503 303862066      852165        s-trans-Propenoic acid
  666628.1183  0.2394 -5.3938 3 1061.9815169  72503 303842164      832063        s-trans-Propenoic acid
  666718.0464  0.1432 -5.3851 3 1118.6451175  72503 303871968      862067        s-trans-Propenoic acid
  666942.9048  0.1476 -4.6178 3 1118.6451175  72503 303872068      862067        s-trans-Propenoic acid
  667092.4243  0.1500 -4.6176 3 1118.6326175  72503 303871968      861967        s-trans-Propenoic acid
  667139.9310  0.0977 -4.5537 3 1079.2950169  72503 303842362      832361        s-trans-Propenoic acid
  667190.6061  0.0464 -4.4567 3  527.0454113  72503 303561937      551838        s-trans-Propenoic acid
  667227.8563  0.0123 -5.2531 3  346.6616 91  72503 303451432      441233        s-trans-Propenoic acid
  667244.8038  0.0114 -5.3517 3  296.7286 81  72503 303401525      391326        s-trans-Propenoic acid
  667310.8322  0.2291 -4.8107 3 1197.0370173  72503 303863057      853056        s-trans-Propenoic acid
  667311.0911  0.2291 -4.8107 3 1197.0370173  72503 303863056      853055        s-trans-Propenoic acid
  667317.2827  0.1545 -5.3843 3 1118.6326175  72503 303872068      861967        s-trans-Propenoic acid
  667389.9083  0.3981 -5.0564 3 1305.3334175  72503 303873651      863650        s-trans-Propenoic acid
  667389.9083  0.3981 -5.0564 3 1305.3334175  72503 303873652      863651        s-trans-Propenoic acid
  667506.0783  0.0718 -3.9829 3  403.8095 77  72503 303382810      372711        s-trans-Propenoic acid
  667506.0783  0.0718 -3.9829 3  403.8095 77  72503 303382811      372710        s-trans-Propenoic acid
  667629.6443  0.1296 -4.4453 3 1024.9014165  72503 303822161      812160        s-trans-Propenoic acid
  667728.0806  0.2013 -4.7749 3 1237.8126205  72503 303A2 597      A1 596        s-trans-Propenoic acid
  667728.0806  0.2013 -5.2056 3 1237.8126205  72503 303A2 597      A1 696        s-trans-Propenoic acid
  667728.0806  0.2013 -5.2056 3 1237.8126205  72503 303A2 697      A1 596        s-trans-Propenoic acid
  667728.0806  0.2013 -4.7749 3 1237.8126205  72503 303A2 697      A1 696        s-trans-Propenoic acid
  667730.1460  0.1905 -4.7744 3 1234.6793203  72503 303A1 695      A0 694        s-trans-Propenoic acid
  667730.1460  0.1905 -5.2167 3 1234.6793203  72503 303A1 695      A0 794        s-trans-Propenoic acid
  667730.1460  0.1905 -5.2167 3 1234.6793203  72503 303A1 795      A0 694        s-trans-Propenoic acid
  667730.1460  0.1905 -4.7744 3 1234.6793203  72503 303A1 795      A0 794        s-trans-Propenoic acid
  667731.8566  0.2167 -4.7744 3 1240.4162207  72503 303A3 499      A2 498        s-trans-Propenoic acid
  667731.8566  0.2167 -5.1942 3 1240.4162207  72503 303A3 499      A2 598        s-trans-Propenoic acid
  667731.8566  0.2167 -5.1942 3 1240.4162207  72503 303A3 599      A2 498        s-trans-Propenoic acid
  667731.8566  0.2167 -4.7744 3 1240.4162207  72503 303A3 599      A2 598        s-trans-Propenoic acid
  667738.8108  0.2379 -4.7729 3 1242.4945209  72503 303A4 3A1      A3 3A0        s-trans-Propenoic acid
  667738.8108  0.2379 -5.1824 3 1242.4945209  72503 303A4 3A1      A3 4A0        s-trans-Propenoic acid
  667738.8108  0.2379 -5.1824 3 1242.4945209  72503 303A4 4A1      A3 3A0        s-trans-Propenoic acid
  667738.8108  0.2379 -4.7729 3 1242.4945209  72503 303A4 4A1      A3 4A0        s-trans-Propenoic acid
  667741.3206  0.1834 -4.7727 3 1231.0105201  72503 303A0 793      99 792        s-trans-Propenoic acid
  667741.3206  0.1834 -5.2275 3 1231.0105201  72503 303A0 793      99 892        s-trans-Propenoic acid
  667741.3206  0.1834 -5.2275 3 1231.0105201  72503 303A0 893      99 792        s-trans-Propenoic acid
  667741.3206  0.1834 -4.7727 3 1231.0105201  72503 303A0 893      99 892        s-trans-Propenoic acid
  667746.7517  0.2657 -4.7702 3 1244.0517211  72503 303A5 2A3      A4 2A2        s-trans-Propenoic acid
  667746.7517  0.2657 -5.1702 3 1244.0517211  72503 303A5 2A3      A4 3A2        s-trans-Propenoic acid
  667746.7517  0.2657 -5.1702 3 1244.0517211  72503 303A5 3A3      A4 2A2        s-trans-Propenoic acid
  667746.7517  0.2657 -4.7702 3 1244.0517211  72503 303A5 3A3      A4 3A2        s-trans-Propenoic acid
  667753.8610  0.3010 -4.7666 3 1245.0912213  72503 303A6 1A5      A5 1A4        s-trans-Propenoic acid
  667753.8610  0.3010 -5.1575 3 1245.0912213  72503 303A6 1A5      A5 2A4        s-trans-Propenoic acid
  667753.8610  0.3010 -5.1575 3 1245.0912213  72503 303A6 2A5      A5 1A4        s-trans-Propenoic acid
  667753.8610  0.3010 -4.7666 3 1245.0912213  72503 303A6 2A5      A5 2A4        s-trans-Propenoic acid
  667758.6166  0.3443 -4.7619 3 1245.6160215  72503 303A7 0A7      A6 0A6        s-trans-Propenoic acid
  667758.6166  0.3443 -5.1442 3 1245.6160215  72503 303A7 0A7      A6 1A6        s-trans-Propenoic acid
  667758.6166  0.3443 -5.1442 3 1245.6160215  72503 303A7 1A7      A6 0A6        s-trans-Propenoic acid
  667758.6166  0.3443 -4.7619 3 1245.6160215  72503 303A7 1A7      A6 1A6        s-trans-Propenoic acid
  667759.1703  0.7797 -5.5889 3 1532.6905177  72503 303884741      874740        s-trans-Propenoic acid
  667759.1703  0.7797 -5.5889 3 1532.6905177  72503 303884742      874741        s-trans-Propenoic acid
  667765.6540  0.1787 -4.7700 3 1226.8002199  72503 30399 891      98 890        s-trans-Propenoic acid
  667765.6540  0.1787 -5.2380 3 1226.8002199  72503 30399 891      98 990        s-trans-Propenoic acid
  667765.6540  0.1787 -5.2380 3 1226.8002199  72503 30399 991      98 890        s-trans-Propenoic acid
  667765.6540  0.1787 -4.7700 3 1226.8002199  72503 30399 991      98 990        s-trans-Propenoic acid
  667808.2207  0.1758 -4.7661 3 1222.0406197  72503 30398 989      97 988        s-trans-Propenoic acid
  667808.2207  0.1758 -5.2485 3 1222.0406197  72503 30398 989      971088        s-trans-Propenoic acid
  667808.2207  0.1758 -5.2485 3 1222.0406197  72503 303981089      97 988        s-trans-Propenoic acid
  667808.2207  0.1758 -4.7661 3 1222.0406197  72503 303981089      971088        s-trans-Propenoic acid
  667875.4592  0.1738 -4.7610 3 1216.7232195  72503 303971087      961086        s-trans-Propenoic acid
  667875.4592  0.1738 -5.2591 3 1216.7232195  72503 303971087      961186        s-trans-Propenoic acid
  667875.4592  0.1738 -5.2591 3 1216.7232195  72503 303971187      961086        s-trans-Propenoic acid
  667875.4592  0.1738 -4.7610 3 1216.7232195  72503 303971187      961186        s-trans-Propenoic acid
  667878.8191  0.0169 -4.9823 3  347.4908 93  72503 303461135      451036        s-trans-Propenoic acid
  667882.5444  0.0110 -5.0057 3  341.2674 91  72503 303451333      441034        s-trans-Propenoic acid
  667975.6555  0.1722 -4.7548 3 1210.8375193  72503 303961185      951184        s-trans-Propenoic acid
  667975.6555  0.1722 -5.2698 3 1210.8375193  72503 303961185      951284        s-trans-Propenoic acid
  667975.6555  0.1722 -5.2698 3 1210.8375193  72503 303961285      951184        s-trans-Propenoic acid
  667975.6555  0.1722 -4.7548 3 1210.8375193  72503 303961285      951284        s-trans-Propenoic acid
  668119.6512  0.1707 -4.7473 3 1204.3708191  72503 303951283      941282        s-trans-Propenoic acid
  668119.6512  0.1707 -5.2808 3 1204.3708191  72503 303951283      941382        s-trans-Propenoic acid
  668119.6512  0.1707 -5.2808 3 1204.3708191  72503 303951383      941282        s-trans-Propenoic acid
  668119.6512  0.1707 -4.7473 3 1204.3708191  72503 303951383      941382        s-trans-Propenoic acid
  668162.7054  0.0258 -4.9621 3  377.0094 97  72503 303481236      471137        s-trans-Propenoic acid
  668254.6115  0.7427 -5.5371 3 1511.6195177  72503 303884642      874641        s-trans-Propenoic acid
  668254.6115  0.7427 -5.5371 3 1511.6195177  72503 303884643      874642        s-trans-Propenoic acid
  668321.9128  0.1691 -4.7385 3 1197.3081189  72503 303941381      931380        s-trans-Propenoic acid
  668321.9128  0.1691 -5.2925 3 1197.3081189  72503 303941381      931480        s-trans-Propenoic acid
  668321.9128  0.1691 -5.2925 3 1197.3081189  72503 303941481      931380        s-trans-Propenoic acid
  668321.9128  0.1691 -4.7385 3 1197.3081189  72503 303941481      931480        s-trans-Propenoic acid
  668424.0354  0.3698 -5.0176 3 1289.6504175  72503 303873552      863551        s-trans-Propenoic acid
  668424.0354  0.3698 -5.0176 3 1289.6504175  72503 303873553      863552        s-trans-Propenoic acid
  668540.6781  0.0111 -5.3504 3  296.6844 81  72503 303401526      391327        s-trans-Propenoic acid
  668602.2084  0.1673 -4.7283 3 1189.6307187  72503 303931479      921478        s-trans-Propenoic acid
  668602.2084  0.1673 -5.3050 3 1189.6307187  72503 303931479      921578        s-trans-Propenoic acid
  668602.2084  0.1673 -4.7283 3 1189.6307187  72503 303931579      921578        s-trans-Propenoic acid
  668602.2085  0.1673 -5.3050 3 1189.6307187  72503 303931579      921478        s-trans-Propenoic acid
  668665.4980  0.0635 -4.0127 3  411.0905 81  72503 303402713      392614        s-trans-Propenoic acid
  668665.4980  0.0635 -4.0127 3  411.0905 81  72503 303402714      392613        s-trans-Propenoic acid
  668682.8179  0.0165 -5.3250 3  347.4639 93  72503 303461135      45 936        s-trans-Propenoic acid
  668744.7114  0.0312 -5.2445 3  407.5734101  72503 303501337      491138        s-trans-Propenoic acid
  668776.6510  0.0062 -5.4637 3  237.9595 79  72503 30339 534      38 435        s-trans-Propenoic acid
  668777.2767  0.7065 -5.4866 3 1491.0254177  72503 303884543      874542        s-trans-Propenoic acid
  668777.2767  0.7065 -5.4866 3 1491.0254177  72503 303884544      874543        s-trans-Propenoic acid
  668777.9763  0.0062 -5.4637 3  237.9595 79  72503 30339 634      38 335        s-trans-Propenoic acid
  668848.4381  0.3537 -5.3491 3  996.7474163  72503 303812161      802060        s-trans-Propenoic acid
  668976.9109  0.1314 -4.6580 3 1128.9530171  72503 303852660      842659        s-trans-Propenoic acid
  668988.3583  0.1652 -5.3190 3 1181.3152185  72503 303921577      911676        s-trans-Propenoic acid
  668988.3593  0.1652 -4.7166 3 1181.3152185  72503 303921677      911676        s-trans-Propenoic acid
  668988.3603  0.1652 -4.7166 3 1181.3152185  72503 303921577      911576        s-trans-Propenoic acid
  668988.3613  0.1652 -5.3190 3 1181.3152185  72503 303921677      911576        s-trans-Propenoic acid
  669040.0895  0.1422 -4.5953 3 1106.3386173  72503 303862166      852165        s-trans-Propenoic acid
  669184.2154  0.0137 -5.5478 3  264.1978 77  72503 303381326      371027        s-trans-Propenoic acid
  669195.4792  0.0091 -5.3027 3  336.1103 91  72503 303451234      441035        s-trans-Propenoic acid
  669196.3111  0.0322 -5.1914 3  439.3161105  72503 303521438      511239        s-trans-Propenoic acid
  669286.3574  0.2167 -5.4109 3 1084.0136171  72503 303852165      842064        s-trans-Propenoic acid
  669323.8165  0.2046 -4.7783 3 1184.6200173  72503 303862958      852957        s-trans-Propenoic acid
  669326.2017  0.2046 -4.7783 3 1184.6201173  72503 303862957      852956        s-trans-Propenoic acid
  669330.1901  0.6710 -5.4373 3 1470.9105177  72503 303884444      874443        s-trans-Propenoic acid
  669330.1901  0.6710 -5.4373 3 1470.9105177  72503 303884445      874444        s-trans-Propenoic acid
  669506.4304  0.1284 -4.6573 3 1128.9788171  72503 303852659      842658        s-trans-Propenoic acid
  669520.9921  0.1629 -5.3349 3 1172.3315183  72503 303911675      901774        s-trans-Propenoic acid
  669521.0174  0.1629 -4.7034 3 1172.3315183  72503 303911775      901774        s-trans-Propenoic acid
  669521.0389  0.1629 -4.7034 3 1172.3315183  72503 303911675      901674        s-trans-Propenoic acid
  669521.0642  0.1629 -5.3349 3 1172.3315183  72503 303911775      901674        s-trans-Propenoic acid
  669563.4029  0.3420 -4.9799 3 1274.4895175  72503 303873453      863452        s-trans-Propenoic acid
  669563.4029  0.3420 -4.9799 3 1274.4895175  72503 303873454      863453        s-trans-Propenoic acid
  669660.4897  0.0278 -5.2644 3  376.8779 95  72503 303471532      461333        s-trans-Propenoic acid
  669756.0669  0.0564 -4.0460 3  419.9013 85  72503 303422616      412517        s-trans-Propenoic acid
  669756.0669  0.0564 -4.0460 3  419.9013 85  72503 303422617      412516        s-trans-Propenoic acid
  669916.8111  0.6362 -5.3892 3 1451.2770177  72503 303884345      874344        s-trans-Propenoic acid
  669916.8111  0.6362 -5.3892 3 1451.2770177  72503 303884346      874345        s-trans-Propenoic acid
  670208.6177  0.0079 -5.3566 3  319.2151 89  72503 303441134      43 935        s-trans-Propenoic acid
  670235.5856  0.0074 -5.0560 3  302.5024 87  72503 30343 934      42 835        s-trans-Propenoic acid
  670261.9531  0.1606 -5.3538 3 1162.6400181  72503 303901773      891872        s-trans-Propenoic acid
  670262.4809  0.1606 -4.6883 3 1162.6400181  72503 303901873      891872        s-trans-Propenoic acid
  670262.9021  0.1606 -4.6883 3 1162.6400181  72503 303901773      891772        s-trans-Propenoic acid
  670263.4298  0.1606 -5.3538 3 1162.6400181  72503 303901873      891772        s-trans-Propenoic acid
  670278.5333  0.0074 -5.4241 3  302.5010 87  72503 30343 934      42 735        s-trans-Propenoic acid
  670307.4638  0.1234 -4.5717 3 1093.0742171  72503 303852264      842263        s-trans-Propenoic acid
  670316.5098  0.0445 -4.3638 3  506.4411109  72503 303542035      531934        s-trans-Propenoic acid
  670337.0850  0.0445 -4.3637 3  506.4405109  72503 303542034      531935        s-trans-Propenoic acid
  670407.8225  0.0244 -5.2895 3  376.9345 97  72503 303481236      471037        s-trans-Propenoic acid
  670471.5927  0.0079 -5.0017 3  319.2063 89  72503 303441134      43 835        s-trans-Propenoic acid
  670481.7390  0.1602 -4.5931 3 1106.2077173  72503 303862066      852065        s-trans-Propenoic acid
  670541.1187  0.6021 -5.3423 3 1432.1276177  72503 303884246      874245        s-trans-Propenoic acid
  670541.1187  0.6021 -5.3423 3 1432.1276177  72503 303884247      874246        s-trans-Propenoic acid
  670553.3405  0.0089 -4.9705 3  336.0650 91  72503 303451234      44 935        s-trans-Propenoic acid
  670739.3977  0.0508 -4.0834 3  430.2594 89  72503 303442519      432420        s-trans-Propenoic acid
  670739.3977  0.0508 -4.0834 3  430.2594 89  72503 303442520      432419        s-trans-Propenoic acid
  670827.5931  0.3147 -4.9433 3 1259.8602175  72503 303873355      863354        s-trans-Propenoic acid
  670827.5935  0.3147 -4.9433 3 1259.8602175  72503 303873354      863353        s-trans-Propenoic acid
  671138.4761  0.0122 -5.3355 3  307.2098 83  72503 303411526      401327        s-trans-Propenoic acid
  671207.7181  0.5687 -5.2966 3 1413.4651177  72503 303884147      874146        s-trans-Propenoic acid
  671207.7181  0.5687 -5.2966 3 1413.4651177  72503 303884148      874147        s-trans-Propenoic acid
  671303.6458  0.1582 -5.3772 3 1152.1861179  72503 303891871      881970        s-trans-Propenoic acid
  671312.8990  0.1585 -4.6712 3 1152.1861179  72503 303891971      881970        s-trans-Propenoic acid
  671319.7689  0.1586 -4.6712 3 1152.1856179  72503 303891871      881870        s-trans-Propenoic acid
  671329.0221  0.1588 -5.3771 3 1152.1856179  72503 303891971      881870        s-trans-Propenoic acid
  671353.9899  0.1033 -3.9194 3  399.0843 67  72503 3033331 2      3230 3        s-trans-Propenoic acid
  671353.9899  0.1033 -3.9194 3  399.0843 67  72503 3033331 3      3230 2        s-trans-Propenoic acid
  671447.8444  0.0138 -5.4907 3  254.5932 71  72503 303351619      341420        s-trans-Propenoic acid
  671451.3494  0.0138 -5.4907 3  254.5931 71  72503 303351620      341421        s-trans-Propenoic acid
  671557.8377  0.0467 -4.1253 3  442.1881 93  72503 303462422      452323        s-trans-Propenoic acid
  671557.8377  0.0467 -4.1253 3  442.1881 93  72503 303462423      452322        s-trans-Propenoic acid
  671693.8856  0.1803 -4.7470 3 1172.8246173  72503 303862859      852858        s-trans-Propenoic acid
  671713.4374  0.1802 -4.7469 3 1172.8254173  72503 303862858      852857        s-trans-Propenoic acid
  671806.7207  0.0058 -5.3212 3  253.7072 81  72503 30340 634      39 535        s-trans-Propenoic acid
  671806.8616  0.1568 -4.4821 3 1047.1711167  72503 303832162      822161        s-trans-Propenoic acid
  671817.9370  0.0058 -5.3212 3  253.7072 81  72503 30340 734      39 435        s-trans-Propenoic acid
  671838.2273  0.0433 -4.2893 3  487.7694105  72503 303522132      512031        s-trans-Propenoic acid
  671838.6199  0.0433 -4.2893 3  487.7694105  72503 303522131      512032        s-trans-Propenoic acid
  671921.9766  0.5360 -5.2521 3 1395.2930177  72503 303884048      874047        s-trans-Propenoic acid
  671921.9766  0.5360 -5.2521 3 1395.2930177  72503 303884049      874048        s-trans-Propenoic acid
  672122.9876  0.0441 -4.1727 3  455.7181 97  72503 303482325      472226        s-trans-Propenoic acid
  672122.9876  0.0441 -4.1727 3  455.7181 97  72503 303482326      472225        s-trans-Propenoic acid
  672241.9320  0.2880 -4.9078 3 1245.7744175  72503 303873256      863255        s-trans-Propenoic acid
  672241.9366  0.2880 -4.9078 3 1245.7744175  72503 303873255      863254        s-trans-Propenoic acid
  672294.1692  0.0514 -4.4875 3  541.7210115  72503 303571939      561838        s-trans-Propenoic acid
  672294.6607  0.0430 -4.2268 3  470.8919101  72503 303502229      492128        s-trans-Propenoic acid
  672294.6655  0.0430 -4.2268 3  470.8919101  72503 303502228      492129        s-trans-Propenoic acid
  672428.1607  0.1130 -4.6298 3 1119.1648171  72503 303852561      842560        s-trans-Propenoic acid
  672493.4372  0.0067 -5.4219 3  302.5024 87  72503 303431034      42 835        s-trans-Propenoic acid
  672536.3849  0.0067 -5.0539 3  302.5010 87  72503 303431034      42 735        s-trans-Propenoic acid
  672592.2579  0.0917 -3.9414 3  402.3586 71  72503 3033530 5      3429 6        s-trans-Propenoic acid
  672592.2579  0.0917 -3.9414 3  402.3586 71  72503 3033530 6      3429 5        s-trans-Propenoic acid
  672690.1979  0.5040 -5.2088 3 1377.6152177  72503 303883949      873948        s-trans-Propenoic acid
  672690.1979  0.5040 -5.2088 3 1377.6152177  72503 303883950      873949        s-trans-Propenoic acid
  672691.5817  0.1536 -5.4080 3 1140.8919177  72503 303881969      872068        s-trans-Propenoic acid
  672825.5545  0.1565 -4.6516 3 1140.8919177  72503 303882069      872068        s-trans-Propenoic acid
  672916.4400  0.1581 -4.6515 3 1140.8844177  72503 303881969      871968        s-trans-Propenoic acid
  672965.6162  0.2018 -5.4294 3 1106.2077173  72503 303862166      852065        s-trans-Propenoic acid
  673050.4129  0.1610 -5.4076 3 1140.8844177  72503 303882069      871968        s-trans-Propenoic acid
  673326.7481  0.1249 -5.4547 3 1128.6554175  72503 303872067      862166        s-trans-Propenoic acid
  673372.6362  0.0061 -5.1233 3  285.9978 85  72503 30342 834      41 735        s-trans-Propenoic acid
  673378.5401  0.0061 -5.5000 3  285.9976 85  72503 30342 834      41 635        s-trans-Propenoic acid
  673441.6229  0.0104 -5.2641 3  353.1747 93  72503 303461334      451135        s-trans-Propenoic acid
  673445.4108  0.0118 -5.3332 3  307.1310 83  72503 303411527      401328        s-trans-Propenoic acid
  673461.8880  0.0744 -4.4484 3 1030.3382165  72503 303822260      812259        s-trans-Propenoic acid
  673503.5596  0.0057 -5.2104 3  269.7258 83  72503 30341 734      40 635        s-trans-Propenoic acid
  673504.2348  0.0057 -5.5934 3  269.7258 83  72503 30341 734      40 535        s-trans-Propenoic acid
  673517.8498  0.0502 -4.4861 3  541.6878115  72503 303571938      561839        s-trans-Propenoic acid
  673519.8517  0.4726 -5.1666 3 1360.4360177  72503 303883850      873849        s-trans-Propenoic acid
  673519.8517  0.4726 -5.1666 3 1360.4360177  72503 303883851      873850        s-trans-Propenoic acid
  673581.7192  0.0057 -5.5933 3  269.7258 83  72503 30341 834      40 635        s-trans-Propenoic acid
  673582.3944  0.0057 -5.2103 3  269.7258 83  72503 30341 834      40 535        s-trans-Propenoic acid
  673694.2985  0.0240 -5.2778 3  364.4117 93  72503 303461531      451332        s-trans-Propenoic acid
  673794.1314  0.0627 -5.5541 3 1138.0017175  72503 303872166      862265        s-trans-Propenoic acid
  673813.6371  0.0813 -3.9660 3  407.1325 75  72503 3033729 8      3628 9        s-trans-Propenoic acid
  673813.6371  0.0813 -3.9660 3  407.1325 75  72503 3033729 9      3628 8        s-trans-Propenoic acid
  673831.7771  0.0060 -5.4996 3  285.9978 85  72503 30342 934      41 735        s-trans-Propenoic acid
  673837.6809  0.0060 -5.1228 3  285.9976 85  72503 30342 934      41 635        s-trans-Propenoic acid
  673840.0765  0.2616 -4.8734 3 1232.2468175  72503 303873157      863156        s-trans-Propenoic acid
  673840.1262  0.2616 -4.8734 3 1232.2469175  72503 303873156      863155        s-trans-Propenoic acid
  673876.3886  0.0459 -4.6244 3  565.0301119  72503 303591841      581742        s-trans-Propenoic acid
  673904.4553  0.2127 -4.8092 3 1260.0857207  72503 303A3 598      A2 597        s-trans-Propenoic acid
  673904.4553  0.2127 -5.2393 3 1260.0857207  72503 303A3 598      A2 697        s-trans-Propenoic acid
  673904.4553  0.2127 -5.2393 3 1260.0857207  72503 303A3 698      A2 597        s-trans-Propenoic acid
  673904.4553  0.2127 -4.8092 3 1260.0857207  72503 303A3 698      A2 697        s-trans-Propenoic acid
  673905.7651  0.2013 -4.8086 3 1256.9523205  72503 303A2 696      A1 695        s-trans-Propenoic acid
  673905.7651  0.2013 -5.2502 3 1256.9523205  72503 303A2 696      A1 795        s-trans-Propenoic acid
  673905.7651  0.2013 -5.2502 3 1256.9523205  72503 303A2 796      A1 695        s-trans-Propenoic acid
  673905.7651  0.2013 -4.8086 3 1256.9523205  72503 303A2 796      A1 795        s-trans-Propenoic acid
  673908.7291  0.2290 -4.8088 3 1262.6893209  72503 303A4 4A0      A3 499        s-trans-Propenoic acid
  673908.7291  0.2290 -5.2281 3 1262.6893209  72503 303A4 4A0      A3 599        s-trans-Propenoic acid
  673908.7291  0.2290 -5.2281 3 1262.6893209  72503 303A4 5A0      A3 499        s-trans-Propenoic acid
  673908.7291  0.2290 -4.8088 3 1262.6893209  72503 303A4 5A0      A3 599        s-trans-Propenoic acid
  673915.8334  0.1936 -4.8069 3 1253.2840203  72503 303A1 794      A0 793        s-trans-Propenoic acid
  673915.8334  0.1936 -5.2607 3 1253.2840203  72503 303A1 794      A0 893        s-trans-Propenoic acid
  673915.8334  0.1936 -5.2607 3 1253.2840203  72503 303A1 894      A0 793        s-trans-Propenoic acid
  673915.8334  0.1936 -4.8069 3 1253.2840203  72503 303A1 894      A0 893        s-trans-Propenoic acid
  673915.9917  0.2513 -4.8072 3 1264.7679211  72503 303A5 3A2      A4 3A1        s-trans-Propenoic acid
  673915.9917  0.2513 -5.2165 3 1264.7679211  72503 303A5 3A2      A4 4A1        s-trans-Propenoic acid
  673915.9917  0.2513 -5.2165 3 1264.7679211  72503 303A5 4A2      A4 3A1        s-trans-Propenoic acid
  673915.9917  0.2513 -4.8072 3 1264.7679211  72503 303A5 4A2      A4 4A1        s-trans-Propenoic acid
  673924.1026  0.2805 -4.8047 3 1266.3253213  72503 303A6 2A4      A5 2A3        s-trans-Propenoic acid
  673924.1026  0.2805 -5.2044 3 1266.3253213  72503 303A6 2A4      A5 3A3        s-trans-Propenoic acid
  673924.1026  0.2805 -5.2044 3 1266.3253213  72503 303A6 3A4      A5 2A3        s-trans-Propenoic acid
  673924.1026  0.2805 -4.8047 3 1266.3253213  72503 303A6 3A4      A5 3A3        s-trans-Propenoic acid
  673931.2809  0.3173 -4.8011 3 1267.3651215  72503 303A7 1A6      A6 1A5        s-trans-Propenoic acid
  673931.2809  0.3173 -5.1918 3 1267.3651215  72503 303A7 1A6      A6 2A5        s-trans-Propenoic acid
  673931.2809  0.3173 -5.1918 3 1267.3651215  72503 303A7 2A6      A6 1A5        s-trans-Propenoic acid
  673931.2809  0.3173 -4.8011 3 1267.3651215  72503 303A7 2A6      A6 2A5        s-trans-Propenoic acid
  673936.0324  0.3625 -4.7965 3 1267.8901217  72503 303A8 0A8      A7 0A7        s-trans-Propenoic acid
  673936.0324  0.3625 -5.1787 3 1267.8901217  72503 303A8 0A8      A7 1A7        s-trans-Propenoic acid
  673936.0324  0.3625 -5.1787 3 1267.8901217  72503 303A8 1A8      A7 0A7        s-trans-Propenoic acid
  673936.0324  0.3625 -4.7965 3 1267.8901217  72503 303A8 1A8      A7 1A7        s-trans-Propenoic acid
  673938.5832  0.1886 -4.8041 3 1249.0744201  72503 303A0 892      99 891        s-trans-Propenoic acid
  673938.5832  0.1886 -5.2711 3 1249.0744201  72503 303A0 892      99 991        s-trans-Propenoic acid
  673938.5832  0.1886 -5.2711 3 1249.0744201  72503 303A0 992      99 891        s-trans-Propenoic acid
  673938.5832  0.1886 -4.8041 3 1249.0744201  72503 303A0 992      99 991        s-trans-Propenoic acid
  673978.9150  0.1854 -4.8001 3 1244.3163199  72503 30399 990      98 989        s-trans-Propenoic acid
  673978.9150  0.1854 -5.2813 3 1244.3163199  72503 30399 990      981089        s-trans-Propenoic acid
  673978.9150  0.1854 -5.2813 3 1244.3163199  72503 303991090      98 989        s-trans-Propenoic acid
  673978.9150  0.1854 -4.8001 3 1244.3163199  72503 303991090      981089        s-trans-Propenoic acid
  674043.0247  0.1833 -4.7950 3 1239.0012197  72503 303981088      971087        s-trans-Propenoic acid
  674043.0247  0.1833 -5.2915 3 1239.0012197  72503 303981088      971187        s-trans-Propenoic acid
  674043.0247  0.1833 -5.2915 3 1239.0012197  72503 303981188      971087        s-trans-Propenoic acid
  674043.0247  0.1833 -4.7950 3 1239.0012197  72503 303981188      971187        s-trans-Propenoic acid
  674138.8556  0.1816 -4.7887 3 1233.1187195  72503 303971186      961185        s-trans-Propenoic acid
  674138.8556  0.1816 -5.3018 3 1233.1187195  72503 303971186      961285        s-trans-Propenoic acid
  674138.8556  0.1816 -5.3018 3 1233.1187195  72503 303971286      961185        s-trans-Propenoic acid
  674138.8556  0.1816 -4.7887 3 1233.1187195  72503 303971286      961285        s-trans-Propenoic acid
  674236.6872  0.1028 -4.5657 3 1088.3758169  72503 303842460      832459        s-trans-Propenoic acid
  674242.6029  0.0135 -5.3211 3  317.9956 85  72503 303421527      411328        s-trans-Propenoic acid
  674276.7553  0.1801 -4.7812 3 1226.6569193  72503 303961284      951283        s-trans-Propenoic acid
  674276.7553  0.1801 -5.3125 3 1226.6569193  72503 303961284      951383        s-trans-Propenoic acid
  674276.7553  0.1801 -5.3125 3 1226.6569193  72503 303961384      951283        s-trans-Propenoic acid
  674276.7553  0.1801 -4.7812 3 1226.6569193  72503 303961384      951383        s-trans-Propenoic acid
  674324.2272  0.3969 -5.3342 3  975.2606161  72503 303802160      792059        s-trans-Propenoic acid
  674419.8790  0.4418 -5.1256 3 1343.7606177  72503 303883751      873750        s-trans-Propenoic acid
  674419.8790  0.4418 -5.1256 3 1343.7606177  72503 303883752      873751        s-trans-Propenoic acid
  674470.4615  0.1785 -4.7724 3 1219.6010191  72503 303951382      941381        s-trans-Propenoic acid
  674470.4615  0.1785 -5.3237 3 1219.6010191  72503 303951382      941481        s-trans-Propenoic acid
  674470.4615  0.1785 -5.3237 3 1219.6010191  72503 303951482      941381        s-trans-Propenoic acid
  674470.4615  0.1785 -4.7724 3 1219.6010191  72503 303951482      941481        s-trans-Propenoic acid
  674525.6282  0.1564 -4.7165 3 1161.6906173  72503 303862760      852759        s-trans-Propenoic acid
  674620.9379  0.3352 -5.1435 3  825.1330147  72503 303732054      721953        s-trans-Propenoic acid
  674666.0111  0.1554 -4.7164 3 1161.6969173  72503 303862759      852758        s-trans-Propenoic acid
  674670.4325  0.1077 -4.5849 3 1101.5484171  72503 303852363      842362        s-trans-Propenoic acid
  674738.6330  0.1767 -4.7622 3 1211.9329189  72503 303941480      931479        s-trans-Propenoic acid
  674738.6330  0.1767 -5.3357 3 1211.9329189  72503 303941480      931579        s-trans-Propenoic acid
  674738.6330  0.1767 -4.7622 3 1211.9329189  72503 303941580      931579        s-trans-Propenoic acid
  674738.6331  0.1767 -5.3357 3 1211.9329189  72503 303941580      931479        s-trans-Propenoic acid
  674879.8837  0.1523 -4.6293 3 1128.6554175  72503 303872167      862166        s-trans-Propenoic acid
  675005.1515  0.0719 -3.9935 3  413.4147 79  72503 303392811      382712        s-trans-Propenoic acid
  675005.1515  0.0719 -3.9935 3  413.4147 79  72503 303392812      382711        s-trans-Propenoic acid
  675012.6610  0.1028 -4.6045 3 1110.0992171  72503 303852462      842461        s-trans-Propenoic acid
  675107.3369  0.1746 -5.3490 3 1203.6302187  72503 303931578      921677        s-trans-Propenoic acid
  675107.3374  0.1746 -4.7505 3 1203.6302187  72503 303931678      921677        s-trans-Propenoic acid
  675107.3379  0.1746 -4.7505 3 1203.6302187  72503 303931578      921577        s-trans-Propenoic acid
  675107.3385  0.1746 -5.3490 3 1203.6302187  72503 303931678      921577        s-trans-Propenoic acid
  675226.8379  0.1060 -4.6265 3 1119.3222171  72503 303852560      842559        s-trans-Propenoic acid
  675401.1073  0.4117 -5.0857 3 1327.5951177  72503 303883652      873651        s-trans-Propenoic acid
  675401.1073  0.4117 -5.0857 3 1327.5951177  72503 303883653      873652        s-trans-Propenoic acid
  675460.2165  0.1047 -4.5037 3 1058.6961167  72503 303832360      822359        s-trans-Propenoic acid
  675536.6925  0.1771 -4.5197 3 1069.5802169  72503 303842163      832162        s-trans-Propenoic acid
  675614.2993  0.1723 -5.3641 3 1194.6643185  72503 303921676      911775        s-trans-Propenoic acid
  675614.3130  0.1723 -4.7373 3 1194.6643185  72503 303921776      911775        s-trans-Propenoic acid
  675614.3246  0.1723 -4.7373 3 1194.6643185  72503 303921676      911675        s-trans-Propenoic acid
  675614.3383  0.1723 -5.3641 3 1194.6643185  72503 303921776      911675        s-trans-Propenoic acid
  675668.2275  0.2357 -4.8401 3 1219.2960175  72503 303873058      863057        s-trans-Propenoic acid
  675668.7196  0.2357 -4.8401 3 1219.2961175  72503 303873057      863056        s-trans-Propenoic acid
  675810.6253  0.1653 -4.6279 3 1128.5726175  72503 303872067      862066        s-trans-Propenoic acid
  676023.8888  0.1803 -4.8952 3  688.1911133  72503 303661948      651847        s-trans-Propenoic acid
  676024.6037  0.7697 -5.5652 3 1533.9100179  72503 303894643      884642        s-trans-Propenoic acid
  676024.6037  0.7697 -5.5652 3 1533.9100179  72503 303894644      884643        s-trans-Propenoic acid
  676081.7084  0.0508 -4.8056 3  522.2538115  72503 303571641      561542        s-trans-Propenoic acid
  676147.6112  0.0639 -4.0243 3  421.2166 83  72503 303412714      402615        s-trans-Propenoic acid
  676147.6112  0.0639 -4.0243 3  421.2166 83  72503 303412715      402614        s-trans-Propenoic acid
  676217.5132  0.0205 -5.2882 3  352.2944 91  72503 303451530      441331        s-trans-Propenoic acid
  676308.6171  0.0152 -5.3087 3  329.0967 87  72503 303431528      421329        s-trans-Propenoic acid
  676316.4469  0.1699 -5.3819 3 1184.9976183  72503 303911774      901873        s-trans-Propenoic acid
  676316.7390  0.1699 -4.7223 3 1184.9976183  72503 303911874      901873        s-trans-Propenoic acid
  676316.9747  0.1699 -4.7223 3 1184.9976183  72503 303911774      901773        s-trans-Propenoic acid
  676317.2668  0.1699 -5.3819 3 1184.9976183  72503 303911874      901773        s-trans-Propenoic acid
  676436.8688  0.0130 -5.2487 3  358.4322 93  72503 303461433      451234        s-trans-Propenoic acid
  676476.8283  0.3822 -5.0470 3 1311.9466177  72503 303883553      873552        s-trans-Propenoic acid
  676476.8283  0.3822 -5.0470 3 1311.9466177  72503 303883554      873553        s-trans-Propenoic acid
  676564.2123  0.7321 -5.5150 3 1513.3335179  72503 303894544      884543        s-trans-Propenoic acid
  676564.2123  0.7321 -5.5150 3 1513.3335179  72503 303894545      884544        s-trans-Propenoic acid
  676583.5296  0.1362 -4.6052 3 1115.4333173  72503 303862265      852264        s-trans-Propenoic acid
  676967.8767  0.0482 -4.3882 3  520.4463111  72503 303552036      541935        s-trans-Propenoic acid
  677008.3983  0.0481 -4.3881 3  520.4452111  72503 303552035      541936        s-trans-Propenoic acid
  677052.2522  0.0175 -5.2979 3  340.5255 89  72503 303441529      431330        s-trans-Propenoic acid
  677135.3438  0.6952 -5.4659 3 1493.2370179  72503 303894445      884444        s-trans-Propenoic acid
  677135.3438  0.6952 -5.4659 3 1493.2370179  72503 303894446      884445        s-trans-Propenoic acid
  677212.7129  0.0572 -4.0587 3  430.5526 87  72503 303432617      422518        s-trans-Propenoic acid
  677212.7129  0.0572 -4.0587 3  430.5526 87  72503 303432618      422517        s-trans-Propenoic acid
  677300.4596  0.1675 -5.4038 3 1174.5787181  72503 303901872      891971        s-trans-Propenoic acid
  677305.7389  0.1676 -4.7053 3 1174.5787181  72503 303901972      891971        s-trans-Propenoic acid
  677309.7128  0.1677 -4.7053 3 1174.5784181  72503 303901872      891871        s-trans-Propenoic acid
  677314.9921  0.1679 -5.4037 3 1174.5784181  72503 303901972      891871        s-trans-Propenoic acid
  677363.7608  0.1936 -5.4492 3 1128.5726175  72503 303872167      862066        s-trans-Propenoic acid
  677627.9398  0.1155 -3.9079 3  405.1073 65  72503 3033232 0      3131 1        s-trans-Propenoic acid
  677627.9398  0.1155 -3.9079 3  405.1073 65  72503 3033232 1      3131 0        s-trans-Propenoic acid
  677663.6229  0.3532 -5.0095 3 1296.8237177  72503 303883454      873453        s-trans-Propenoic acid
  677663.6229  0.3532 -5.0095 3 1296.8237177  72503 303883455      873454        s-trans-Propenoic acid
  677700.3488  0.0565 -4.5196 3  556.6758117  72503 303581940      571839        s-trans-Propenoic acid
  677717.6386  0.0137 -5.4655 3  263.6031 73  72503 303361620      351421        s-trans-Propenoic acid
  677725.4764  0.0137 -5.4655 3  263.6028 73  72503 303361621      351422        s-trans-Propenoic acid
  677741.6210  0.6591 -5.4180 3 1473.6230179  72503 303894346      884345        s-trans-Propenoic acid
  677741.6210  0.6591 -5.4180 3 1473.6230179  72503 303894347      884346        s-trans-Propenoic acid
  677791.7853  0.2099 -4.8079 3 1206.9463175  72503 303872959      862958        s-trans-Propenoic acid
  677796.1551  0.2099 -4.8079 3 1206.9465175  72503 303872958      862957        s-trans-Propenoic acid
  677853.9475  0.1340 -4.6871 3 1151.2677173  72503 303862661      852660        s-trans-Propenoic acid
  678158.5029  0.0520 -4.0973 3  441.4417 91  72503 303452520      442421        s-trans-Propenoic acid
  678158.5029  0.0520 -4.0973 3  441.4417 91  72503 303452521      442420        s-trans-Propenoic acid
  678224.9971  0.0126 -5.3174 3  317.8590 85  72503 303421528      411329        s-trans-Propenoic acid
  678387.2166  0.6236 -5.3713 3 1454.4944179  72503 303894247      884246        s-trans-Propenoic acid
  678387.2166  0.6236 -5.3713 3 1454.4944179  72503 303894248      884247        s-trans-Propenoic acid
  678645.9653  0.1638 -5.4323 3 1163.3350179  72503 303891970      882069        s-trans-Propenoic acid
  678713.2531  0.1295 -4.6861 3 1151.3112173  72503 303862660      852659        s-trans-Propenoic acid
  678725.1880  0.1657 -4.6859 3 1163.3350179  72503 303892070      882069        s-trans-Propenoic acid
  678764.6974  0.0537 -4.8710 3  487.1254111  72503 303551540      541441        s-trans-Propenoic acid
  678779.9382  0.1667 -4.6859 3 1163.3305179  72503 303891970      881969        s-trans-Propenoic acid
  678812.2129  0.0465 -4.3105 3  501.1726107  72503 303532133      522032        s-trans-Propenoic acid
  678813.0611  0.0465 -4.3105 3  501.1726107  72503 303532132      522033        s-trans-Propenoic acid
  678859.1609  0.1686 -5.4320 3 1163.3305179  72503 303892070      881969        s-trans-Propenoic acid
  678872.3825  0.1030 -3.9282 3  407.3999 69  72503 3033431 3      3330 4        s-trans-Propenoic acid
  678872.3825  0.1030 -3.9282 3  407.3999 69  72503 3033431 4      3330 3        s-trans-Propenoic acid
  678921.9676  0.0484 -4.1407 3  453.9083 95  72503 303472423      462324        s-trans-Propenoic acid
  678921.9676  0.0484 -4.1407 3  453.9083 95  72503 303472424      462323        s-trans-Propenoic acid
  678982.5780  0.3248 -4.9730 3 1282.2366177  72503 303883356      873355        s-trans-Propenoic acid
  678982.5788  0.3248 -4.9730 3 1282.2366177  72503 303883355      873354        s-trans-Propenoic acid
  678994.6143  0.0275 -5.1578 3  472.0911109  72503 303541539      531340        s-trans-Propenoic acid
  679076.9674  0.5889 -5.3258 3 1435.8542179  72503 303894148      884147        s-trans-Propenoic acid
  679076.9674  0.5889 -5.3258 3 1435.8542179  72503 303894149      884148        s-trans-Propenoic acid
  679194.2518  0.1895 -4.5575 3 1092.1137171  72503 303852164      842163        s-trans-Propenoic acid
  679275.6237  0.0109 -4.9813 3  352.9801 93  72503 303461334      451035        s-trans-Propenoic acid
  679406.2450  0.0464 -4.1896 3  467.9855 99  72503 303492327      482226        s-trans-Propenoic acid
  679406.2451  0.0464 -4.1896 3  467.9855 99  72503 303492326      482227        s-trans-Propenoic acid
  679456.8392  0.0458 -4.2456 3  483.7187103  72503 303512230      502129        s-trans-Propenoic acid
  679456.8507  0.0458 -4.2456 3  483.7187103  72503 303512229      502130        s-trans-Propenoic acid
  679743.5248  0.1437 -5.4738 3 1151.1670177  72503 303882068      872167        s-trans-Propenoic acid
  679816.5202  0.5549 -5.2815 3 1417.7059179  72503 303894049      884048        s-trans-Propenoic acid
  679816.5202  0.5549 -5.2815 3 1417.7059179  72503 303894050      884049        s-trans-Propenoic acid
  679846.0216  0.0540 -4.5172 3  556.6181117  72503 303581939      571840        s-trans-Propenoic acid
  680079.8981  0.2247 -4.8440 3 1282.5647209  72503 303A4 599      A3 598        s-trans-Propenoic acid
  680079.8981  0.2247 -5.2736 3 1282.5647209  72503 303A4 599      A3 698        s-trans-Propenoic acid
  680079.8981  0.2247 -5.2736 3 1282.5647209  72503 303A4 699      A3 598        s-trans-Propenoic acid
  680079.8981  0.2247 -4.8440 3 1282.5647209  72503 303A4 699      A3 698        s-trans-Propenoic acid
  680080.4716  0.2125 -4.8434 3 1279.4314207  72503 303A3 697      A2 696        s-trans-Propenoic acid
  680080.4716  0.2125 -5.2842 3 1279.4314207  72503 303A3 697      A2 796        s-trans-Propenoic acid
  680080.4716  0.2125 -5.2842 3 1279.4314207  72503 303A3 797      A2 696        s-trans-Propenoic acid
  680080.4716  0.2125 -4.8434 3 1279.4314207  72503 303A3 797      A2 796        s-trans-Propenoic acid
  680084.6582  0.2419 -4.8436 3 1285.1685211  72503 303A5 4A1      A4 4A0        s-trans-Propenoic acid
  680084.6582  0.2419 -5.2626 3 1285.1685211  72503 303A5 4A1      A4 5A0        s-trans-Propenoic acid
  680084.6582  0.2419 -5.2626 3 1285.1685211  72503 303A5 5A1      A4 4A0        s-trans-Propenoic acid
  680084.6582  0.2419 -4.8436 3 1285.1685211  72503 303A5 5A1      A4 5A0        s-trans-Propenoic acid
  680089.4651  0.2043 -4.8416 3 1275.7634205  72503 303A2 795      A1 794        s-trans-Propenoic acid
  680089.4651  0.2043 -5.2946 3 1275.7634205  72503 303A2 795      A1 894        s-trans-Propenoic acid
  680089.4651  0.2043 -5.2946 3 1275.7634205  72503 303A2 895      A1 794        s-trans-Propenoic acid
  680089.4651  0.2043 -4.8416 3 1275.7634205  72503 303A2 895      A1 894        s-trans-Propenoic acid
  680092.2229  0.2653 -4.8422 3 1287.2473213  72503 303A6 3A3      A5 3A2        s-trans-Propenoic acid
  680092.2229  0.2653 -5.2511 3 1287.2473213  72503 303A6 3A3      A5 4A2        s-trans-Propenoic acid
  680092.2229  0.2653 -5.2511 3 1287.2473213  72503 303A6 4A3      A5 3A2        s-trans-Propenoic acid
  680092.2229  0.2653 -4.8422 3 1287.2473213  72503 303A6 4A3      A5 4A2        s-trans-Propenoic acid
  680100.5005  0.2959 -4.8397 3 1288.8050215  72503 303A7 2A5      A6 2A4        s-trans-Propenoic acid
  680100.5005  0.2959 -5.2392 3 1288.8050215  72503 303A7 2A5      A6 3A4        s-trans-Propenoic acid
  680100.5005  0.2959 -5.2392 3 1288.8050215  72503 303A7 3A5      A6 2A4        s-trans-Propenoic acid
  680100.5005  0.2959 -4.8397 3 1288.8050215  72503 303A7 3A5      A6 3A4        s-trans-Propenoic acid
  680106.2649  0.0916 -3.9509 3  411.1869 73  72503 3033630 6      3529 7        s-trans-Propenoic acid
  680106.2649  0.0916 -3.9509 3  411.1869 73  72503 3033630 7      3529 6        s-trans-Propenoic acid
  680107.7463  0.3344 -4.8362 3 1289.8450217  72503 303A8 1A7      A7 1A6        s-trans-Propenoic acid
  680107.7463  0.3344 -5.2268 3 1289.8450217  72503 303A8 1A7      A7 2A6        s-trans-Propenoic acid
  680107.7463  0.3344 -5.2268 3 1289.8450217  72503 303A8 2A7      A7 1A6        s-trans-Propenoic acid
  680107.7463  0.3344 -4.8362 3 1289.8450217  72503 303A8 2A7      A7 2A6        s-trans-Propenoic acid
  680110.6808  0.1990 -4.8388 3 1271.5546203  72503 303A1 893      A0 892        s-trans-Propenoic acid
  680110.6808  0.1990 -5.3047 3 1271.5546203  72503 303A1 893      A0 992        s-trans-Propenoic acid
  680110.6808  0.1990 -5.3047 3 1271.5546203  72503 303A1 993      A0 892        s-trans-Propenoic acid
  680110.6808  0.1990 -4.8388 3 1271.5546203  72503 303A1 993      A0 992        s-trans-Propenoic acid
  680112.4931  0.3814 -4.8316 3 1290.3702219  72503 303A9 0A9      A8 0A8        s-trans-Propenoic acid
  680112.4931  0.3814 -5.2138 3 1290.3702219  72503 303A9 0A9      A8 1A8        s-trans-Propenoic acid
  680112.4931  0.3814 -5.2138 3 1290.3702219  72503 303A9 1A9      A8 0A8        s-trans-Propenoic acid
  680112.4931  0.3814 -4.8316 3 1290.3702219  72503 303A9 1A9      A8 1A8        s-trans-Propenoic acid
  680148.8539  0.1955 -4.8348 3 1266.7978201  72503 303A0 991      99 990        s-trans-Propenoic acid
  680148.8539  0.1955 -5.3146 3 1266.7978201  72503 303A0 991      991090        s-trans-Propenoic acid
  680148.8539  0.1955 -5.3146 3 1266.7978201  72503 303A01091      99 990        s-trans-Propenoic acid
  680148.8539  0.1955 -4.8348 3 1266.7978201  72503 303A01091      991090        s-trans-Propenoic acid
  680209.9511  0.1932 -4.8296 3 1261.4848199  72503 303991089      981088        s-trans-Propenoic acid
  680209.9511  0.1932 -5.3245 3 1261.4848199  72503 303991089      981188        s-trans-Propenoic acid
  680209.9511  0.1932 -5.3245 3 1261.4848199  72503 303991189      981088        s-trans-Propenoic acid
  680209.9511  0.1932 -4.8296 3 1261.4848199  72503 303991189      981188        s-trans-Propenoic acid
  680301.5933  0.1915 -4.8233 3 1255.6056197  72503 303981187      971186        s-trans-Propenoic acid
  680301.5933  0.1915 -5.3345 3 1255.6056197  72503 303981187      971286        s-trans-Propenoic acid
  680301.5933  0.1915 -5.3345 3 1255.6056197  72503 303981287      971186        s-trans-Propenoic acid
  680301.5933  0.1915 -4.8233 3 1255.6056197  72503 303981287      971286        s-trans-Propenoic acid
  680302.4206  0.1845 -4.7766 3 1195.2299175  72503 303872860      862859        s-trans-Propenoic acid
  680336.8514  0.1842 -4.7766 3 1195.2314175  72503 303872859      862858        s-trans-Propenoic acid
  680433.6657  0.1900 -4.8157 3 1249.1483195  72503 303971285      961284        s-trans-Propenoic acid
  680433.6657  0.1900 -5.3448 3 1249.1483195  72503 303971285      961384        s-trans-Propenoic acid
  680433.6657  0.1900 -5.3448 3 1249.1483195  72503 303971385      961284        s-trans-Propenoic acid
  680433.6657  0.1900 -4.8157 3 1249.1483195  72503 303971385      961384        s-trans-Propenoic acid
  680461.1476  0.2968 -4.9377 3 1268.1980177  72503 303883257      873256        s-trans-Propenoic acid
  680461.1568  0.2968 -4.9377 3 1268.1980177  72503 303883256      873255        s-trans-Propenoic acid
  680612.5212  0.5215 -5.2383 3 1400.0537179  72503 303893950      883949        s-trans-Propenoic acid
  680612.5212  0.5215 -5.2383 3 1400.0537179  72503 303893951      883950        s-trans-Propenoic acid
  680619.2282  0.1883 -4.8068 3 1242.0989193  72503 303961383      951382        s-trans-Propenoic acid
  680619.2282  0.1883 -5.3556 3 1242.0989193  72503 303961383      951482        s-trans-Propenoic acid
  680619.2282  0.1883 -5.3556 3 1242.0989193  72503 303961483      951382        s-trans-Propenoic acid
  680619.2282  0.1883 -4.8068 3 1242.0989193  72503 303961483      951482        s-trans-Propenoic acid
  680704.3475  0.1624 -4.6638 3 1151.1670177  72503 303882168      872167        s-trans-Propenoic acid
  680875.9166  0.1865 -4.7966 3 1234.4398191  72503 303951481      941480        s-trans-Propenoic acid
  680875.9166  0.1865 -5.3671 3 1234.4398191  72503 303951481      941580        s-trans-Propenoic acid
  680875.9166  0.1865 -5.3671 3 1234.4398191  72503 303951581      941480        s-trans-Propenoic acid
  680875.9166  0.1865 -4.7966 3 1234.4398191  72503 303951581      941580        s-trans-Propenoic acid
  681228.1955  0.1844 -5.3797 3 1226.1494189  72503 303941579      931678        s-trans-Propenoic acid
  681228.1958  0.1844 -4.7849 3 1226.1494189  72503 303941679      931678        s-trans-Propenoic acid
  681228.1961  0.1844 -4.7849 3 1226.1494189  72503 303941579      931578        s-trans-Propenoic acid
  681228.1963  0.1844 -5.3797 3 1226.1494189  72503 303941679      931578        s-trans-Propenoic acid
  681267.4128  0.1164 -4.6594 3 1141.5946173  72503 303862562      852561        s-trans-Propenoic acid
  681296.6603  0.1715 -4.6629 3 1151.1152177  72503 303882068      872067        s-trans-Propenoic acid
  681319.9302  0.0813 -3.9763 3  416.4759 77  72503 3033829 9      372810        s-trans-Propenoic acid
  681319.9302  0.0813 -3.9763 3  416.4759 77  72503 303382910      3728 9        s-trans-Propenoic acid
  681472.8639  0.4889 -5.1963 3 1382.9022179  72503 303893851      883850        s-trans-Propenoic acid
  681472.8639  0.4889 -5.1963 3 1382.9022179  72503 303893852      883851        s-trans-Propenoic acid
  681486.3238  0.0443 -4.7505 3  558.6778119  72503 303591742      581643        s-trans-Propenoic acid
  681711.1666  0.1820 -5.3940 3 1217.2004187  72503 303931677      921776        s-trans-Propenoic acid
  681711.1739  0.1820 -4.7717 3 1217.2004187  72503 303931777      921776        s-trans-Propenoic acid
  681711.1802  0.1820 -4.7717 3 1217.2004187  72503 303931677      921676        s-trans-Propenoic acid
  681711.1875  0.1820 -5.3940 3 1217.2004187  72503 303931777      921676        s-trans-Propenoic acid
  681840.0750  0.0823 -4.4789 3 1052.8025167  72503 303832261      822260        s-trans-Propenoic acid
  681897.3334  0.1197 -4.6173 3 1124.0530173  72503 303862364      852363        s-trans-Propenoic acid
  682136.1155  0.2693 -4.9035 3 1254.7237177  72503 303883158      873157        s-trans-Propenoic acid
  682136.2123  0.2693 -4.9035 3 1254.7237177  72503 303883157      873156        s-trans-Propenoic acid
  682257.4830  0.1906 -5.4705 3 1151.1152177  72503 303882168      872067        s-trans-Propenoic acid
  682377.3032  0.1796 -5.4108 3 1207.5571185  72503 303921775      911874        s-trans-Propenoic acid
  682377.4642  0.1796 -4.7568 3 1207.5571185  72503 303921875      911874        s-trans-Propenoic acid
  682377.5953  0.1796 -4.7568 3 1207.5571185  72503 303921775      911774        s-trans-Propenoic acid
  682377.7563  0.1796 -5.4108 3 1207.5571185  72503 303921875      911774        s-trans-Propenoic acid
  682407.0232  0.4569 -5.1555 3 1366.2568179  72503 303893752      883751        s-trans-Propenoic acid
  682407.0232  0.4569 -5.1555 3 1366.2568179  72503 303893753      883752        s-trans-Propenoic acid
  682453.9958  0.4323 -5.3167 3  953.9041159  72503 303792159      782058        s-trans-Propenoic acid
  682499.0604  0.0722 -4.0047 3  423.2763 81  72503 303402812      392713        s-trans-Propenoic acid
  682499.0604  0.0722 -4.0047 3  423.2763 81  72503 303402813      392712        s-trans-Propenoic acid
  682571.6413  0.0625 -4.5541 3  571.9353119  72503 303591941      581840        s-trans-Propenoic acid
  682691.6578  0.1492 -4.6394 3 1138.0017175  72503 303872266      862265        s-trans-Propenoic acid
  682883.9451  0.0753 -5.5620 3 1160.7738177  72503 303882167      872266        s-trans-Propenoic acid
  682961.4163  0.0136 -5.3030 3  328.8676 87  72503 303431529      421330        s-trans-Propenoic acid
  683050.0416  0.1958 -4.5951 3 1114.7692173  72503 303862165      852164        s-trans-Propenoic acid
  683298.3531  0.1095 -4.6353 3 1132.6152173  72503 303862463      852462        s-trans-Propenoic acid
  683302.4279  0.1595 -4.7463 3 1184.1903175  72503 303872761      862760        s-trans-Propenoic acid
  683307.0528  0.1771 -5.4313 3 1197.1712183  72503 303911873      901972        s-trans-Propenoic acid
  683310.0479  0.1772 -4.7399 3 1197.1712183  72503 303911973      901972        s-trans-Propenoic acid
  683312.3321  0.1773 -4.7399 3 1197.1710183  72503 303911873      901872        s-trans-Propenoic acid
  683315.3272  0.1773 -5.4313 3 1197.1710183  72503 303911973      901872        s-trans-Propenoic acid
  683426.5102  0.4255 -5.1158 3 1350.1241179  72503 303893653      883652        s-trans-Propenoic acid
  683426.5102  0.4255 -5.1158 3 1350.1241179  72503 303893654      883653        s-trans-Propenoic acid
  683518.7783  0.0521 -4.4138 3  534.7321113  72503 303562037      551936        s-trans-Propenoic acid
  683538.8625  0.1578 -4.7461 3 1184.2013175  72503 303872760      862759        s-trans-Propenoic acid
  683544.8388  0.1543 -4.8381 3  670.5044131  72503 303651947      641846        s-trans-Propenoic acid
  683597.0849  0.0520 -4.4137 3  534.7299113  72503 303562036      551937        s-trans-Propenoic acid
  683622.6033  0.0645 -4.0365 3  431.6002 85  72503 303422715      412616        s-trans-Propenoic acid
  683622.6033  0.0645 -4.0365 3  431.6002 85  72503 303422716      412615        s-trans-Propenoic acid
  683725.0687  0.0468 -4.6685 3  580.5993121  72503 303601842      591743        s-trans-Propenoic acid
  683835.5538  0.0136 -5.4422 3  272.8852 75  72503 303371621      361422        s-trans-Propenoic acid
  683852.5507  0.0136 -5.4421 3  272.8846 75  72503 303371622      361423        s-trans-Propenoic acid
  684058.4287  0.2421 -4.8703 3 1241.8339177  72503 303883059      873058        s-trans-Propenoic acid
  684059.3527  0.2421 -4.8703 3 1241.8339177  72503 303883058      873057        s-trans-Propenoic acid
  684133.8321  0.0103 -5.0141 3  330.1598 91  72503 303451035      44 936        s-trans-Propenoic acid
  684282.7075  0.0102 -5.3734 3  330.1548 91  72503 303451035      44 836        s-trans-Propenoic acid
  684357.9582  0.7582 -5.5441 3 1535.9012181  72503 303904545      894544        s-trans-Propenoic acid
  684357.9582  0.7582 -5.5441 3 1535.9012181  72503 303904546      894545        s-trans-Propenoic acid
  684545.5111  0.3947 -5.0773 3 1334.5115179  72503 303893554      883553        s-trans-Propenoic acid
  684545.5111  0.3947 -5.0773 3 1334.5115179  72503 303893555      883554        s-trans-Propenoic acid
  684595.4624  0.1740 -5.4577 3 1185.9748181  72503 303901971      892070        s-trans-Propenoic acid
  684641.9778  0.1752 -4.7207 3 1185.9748181  72503 303902071      892070        s-trans-Propenoic acid
  684659.6165  0.0582 -4.0721 3  441.4630 89  72503 303442618      432519        s-trans-Propenoic acid
  684659.6165  0.0582 -4.0721 3  441.4630 89  72503 303442619      432518        s-trans-Propenoic acid
  684674.6851  0.1758 -4.7207 3 1185.9721181  72503 303901971      891970        s-trans-Propenoic acid
  684721.2005  0.1770 -5.4575 3 1185.9721181  72503 303902071      891970        s-trans-Propenoic acid
  684947.8043  0.7199 -5.4953 3 1515.8238181  72503 303904446      894445        s-trans-Propenoic acid
  684947.8043  0.7199 -5.4953 3 1515.8238181  72503 303904447      894446        s-trans-Propenoic acid
  685147.0364  0.1151 -3.9165 3  413.1659 67  72503 3033332 1      3231 2        s-trans-Propenoic acid
  685147.0364  0.1151 -3.9165 3  413.1659 67  72503 3033332 2      3231 1        s-trans-Propenoic acid
  685489.0531  0.1104 -4.6545 3 1141.8454173  72503 303862561      852560        s-trans-Propenoic acid
  685564.3010  0.0535 -4.1119 3  452.8846 93  72503 303462521      452422        s-trans-Propenoic acid
  685564.3010  0.0535 -4.1119 3  452.8846 93  72503 303462522      452421        s-trans-Propenoic acid
  685574.2897  0.6823 -5.4476 3 1496.2301181  72503 303904347      894346        s-trans-Propenoic acid
  685574.2897  0.6823 -5.4476 3 1496.2301181  72503 303904348      894347        s-trans-Propenoic acid
  685662.5930  0.1160 -4.5919 3 1110.8659171  72503 303852461      842460        s-trans-Propenoic acid
  685730.9105  0.0501 -4.3326 3  514.8493109  72503 303542134      532033        s-trans-Propenoic acid
  685732.7065  0.0501 -4.3326 3  514.8492109  72503 303542133      532034        s-trans-Propenoic acid
  685781.8057  0.3645 -5.0399 3 1319.4281179  72503 303893456      883455        s-trans-Propenoic acid
  685781.8058  0.3645 -5.0399 3 1319.4281179  72503 303893455      883454        s-trans-Propenoic acid
  685939.0776  0.1600 -5.4950 3 1173.8728179  72503 303892069      882168        s-trans-Propenoic acid
  686185.4454  0.0484 -4.9264 3  453.2580107  72503 303531439      521340        s-trans-Propenoic acid
  686241.7910  0.6455 -5.4011 3 1477.1230181  72503 303904248      894247        s-trans-Propenoic acid
  686241.7910  0.6455 -5.4011 3 1477.1230181  72503 303904249      894248        s-trans-Propenoic acid
  686254.2549  0.2242 -4.8787 3 1302.1165209  72503 303A4 698      A3 697        s-trans-Propenoic acid
  686254.2549  0.2242 -5.3189 3 1302.1165209  72503 303A4 698      A3 797        s-trans-Propenoic acid
  686254.2549  0.2242 -5.3189 3 1302.1165209  72503 303A4 798      A3 697        s-trans-Propenoic acid
  686254.2549  0.2242 -4.8787 3 1302.1165209  72503 303A4 798      A3 797        s-trans-Propenoic acid
  686254.3991  0.2371 -4.8794 3 1305.2497211  72503 303A5 5A0      A4 599        s-trans-Propenoic acid
  686254.3991  0.2371 -5.3084 3 1305.2497211  72503 303A5 5A0      A4 699        s-trans-Propenoic acid
  686254.3991  0.2371 -5.3084 3 1305.2497211  72503 303A5 6A0      A4 599        s-trans-Propenoic acid
  686254.3991  0.2371 -4.8794 3 1305.2497211  72503 303A5 6A0      A4 699        s-trans-Propenoic acid
  686256.9022  0.0579 -4.5502 3  571.8370119  72503 303591940      581841        s-trans-Propenoic acid
  686259.6346  0.2554 -4.8791 3 1307.8537213  72503 303A6 4A2      A5 4A1        s-trans-Propenoic acid
  686259.6346  0.2554 -5.2976 3 1307.8537213  72503 303A6 4A2      A5 5A1        s-trans-Propenoic acid
  686259.6346  0.2554 -5.2976 3 1307.8537213  72503 303A6 5A2      A5 4A1        s-trans-Propenoic acid
  686259.6346  0.2554 -4.8791 3 1307.8537213  72503 303A6 5A2      A5 5A1        s-trans-Propenoic acid
  686262.2034  0.2155 -4.8769 3 1298.4487207  72503 303A3 796      A2 795        s-trans-Propenoic acid
  686262.2034  0.2155 -5.3290 3 1298.4487207  72503 303A3 796      A2 895        s-trans-Propenoic acid
  686262.2034  0.2155 -5.3290 3 1298.4487207  72503 303A3 896      A2 795        s-trans-Propenoic acid
  686262.2034  0.2155 -4.8769 3 1298.4487207  72503 303A3 896      A2 895        s-trans-Propenoic acid
  686267.4953  0.2800 -4.8777 3 1309.9327215  72503 303A7 3A4      A6 3A3        s-trans-Propenoic acid
  686267.4953  0.2800 -5.2863 3 1309.9327215  72503 303A7 3A4      A6 4A3        s-trans-Propenoic acid
  686267.4953  0.2800 -5.2863 3 1309.9327215  72503 303A7 4A4      A6 3A3        s-trans-Propenoic acid
  686267.4953  0.2800 -4.8777 3 1309.9327215  72503 303A7 4A4      A6 4A3        s-trans-Propenoic acid
  686267.8227  0.0504 -4.1567 3  465.8913 97  72503 303482424      472325        s-trans-Propenoic acid
  686267.8227  0.0504 -4.1567 3  465.8913 97  72503 303482425      472324        s-trans-Propenoic acid
  686275.9363  0.3120 -4.8752 3 1311.4907217  72503 303A8 2A6      A7 2A5        s-trans-Propenoic acid
  686275.9363  0.3120 -5.2745 3 1311.4907217  72503 303A8 2A6      A7 3A5        s-trans-Propenoic acid
  686275.9363  0.3120 -5.2745 3 1311.4907217  72503 303A8 3A6      A7 2A5        s-trans-Propenoic acid
  686275.9363  0.3120 -4.8752 3 1311.4907217  72503 303A8 3A6      A7 3A5        s-trans-Propenoic acid
  686281.9319  0.2098 -4.8740 3 1294.2406205  72503 303A2 894      A1 893        s-trans-Propenoic acid
  686281.9319  0.2098 -5.3388 3 1294.2406205  72503 303A2 894      A1 993        s-trans-Propenoic acid
  686281.9319  0.2098 -5.3388 3 1294.2406205  72503 303A2 994      A1 893        s-trans-Propenoic acid
  686281.9319  0.2098 -4.8740 3 1294.2406205  72503 303A2 994      A1 993        s-trans-Propenoic acid
  686283.2482  0.3521 -4.8717 3 1312.5309219  72503 303A9 1A8      A8 1A7        s-trans-Propenoic acid
  686283.2482  0.3521 -5.2622 3 1312.5309219  72503 303A9 1A8      A8 2A7        s-trans-Propenoic acid
  686283.2482  0.3521 -5.2622 3 1312.5309219  72503 303A9 2A8      A8 1A7        s-trans-Propenoic acid
  686283.2482  0.3521 -4.8717 3 1312.5309219  72503 303A9 2A8      A8 2A7        s-trans-Propenoic acid
  686287.9896  0.4011 -4.8672 3 1313.0563221  72503 303B0 0B0      A9 0A9        s-trans-Propenoic acid
  686287.9896  0.4011 -5.2494 3 1313.0563221  72503 303B0 0B0      A9 1A9        s-trans-Propenoic acid
  686287.9896  0.4011 -5.2494 3 1313.0563221  72503 303B0 1B0      A9 0A9        s-trans-Propenoic acid
  686287.9896  0.4011 -4.8672 3 1313.0563221  72503 303B0 1B0      A9 1A9        s-trans-Propenoic acid
  686300.5011  0.2151 -4.8382 3 1229.5550177  72503 303882960      872959        s-trans-Propenoic acid
  686308.4083  0.2151 -4.8382 3 1229.5553177  72503 303882959      872958        s-trans-Propenoic acid
  686318.0185  0.2061 -4.8699 3 1289.4852203  72503 303A1 992      A0 991        s-trans-Propenoic acid
  686318.0185  0.2061 -5.3485 3 1289.4852203  72503 303A1 992      A01091        s-trans-Propenoic acid
  686318.0185  0.2061 -5.3485 3 1289.4852203  72503 303A11092      A0 991        s-trans-Propenoic acid
  686318.0185  0.2061 -4.8699 3 1289.4852203  72503 303A11092      A01091        s-trans-Propenoic acid
  686376.2132  0.2036 -4.8647 3 1284.1742201  72503 303A01090      991089        s-trans-Propenoic acid
  686376.2132  0.2036 -5.3582 3 1284.1742201  72503 303A01090      991189        s-trans-Propenoic acid
  686376.2132  0.2036 -5.3582 3 1284.1742201  72503 303A01190      991089        s-trans-Propenoic acid
  686376.2132  0.2036 -4.8647 3 1284.1742201  72503 303A01190      991189        s-trans-Propenoic acid
  686388.7754  0.1027 -3.9374 3  415.9697 71  72503 3033531 4      3430 5        s-trans-Propenoic acid
  686388.7754  0.1027 -3.9374 3  415.9697 71  72503 3033531 5      3430 4        s-trans-Propenoic acid
  686463.8328  0.2018 -4.8583 3 1278.2980199  72503 303991188      981187        s-trans-Propenoic acid
  686463.8328  0.2018 -5.3678 3 1278.2980199  72503 303991188      981287        s-trans-Propenoic acid
  686463.8328  0.2018 -5.3678 3 1278.2980199  72503 303991288      981187        s-trans-Propenoic acid
  686463.8328  0.2018 -4.8583 3 1278.2980199  72503 303991288      981287        s-trans-Propenoic acid
  686527.6995  0.1725 -4.6989 3 1173.8728179  72503 303892169      882168        s-trans-Propenoic acid
  686582.5185  0.0489 -4.2652 3  496.8143105  72503 303522231      512130        s-trans-Propenoic acid
  686582.5453  0.0489 -4.2652 3  496.8143105  72503 303522230      512131        s-trans-Propenoic acid
  686590.3297  0.2002 -4.8507 3 1271.8452197  72503 303981286      971285        s-trans-Propenoic acid
  686590.3297  0.2002 -5.3777 3 1271.8452197  72503 303981286      971385        s-trans-Propenoic acid
  686590.3297  0.2002 -5.3777 3 1271.8452197  72503 303981386      971285        s-trans-Propenoic acid
  686590.3297  0.2002 -4.8507 3 1271.8452197  72503 303981386      971385        s-trans-Propenoic acid
  686664.0372  0.0490 -4.2074 3  480.5183101  72503 303502328      492227        s-trans-Propenoic acid
  686664.0375  0.0490 -4.2074 3  480.5183101  72503 303502327      492228        s-trans-Propenoic acid
  686678.8999  0.1031 -4.5298 3 1081.2270169  72503 303842361      832360        s-trans-Propenoic acid
  686687.9030  0.0700 -4.5916 3  587.5082121  72503 303601942      591841        s-trans-Propenoic acid
  686759.8905  0.1368 -4.7171 3 1173.8785175  72503 303872662      862661        s-trans-Propenoic acid
  686768.1324  0.1985 -4.8418 3 1264.8019195  72503 303971384      961383        s-trans-Propenoic acid
  686768.1324  0.1985 -5.3880 3 1264.8019195  72503 303971384      961483        s-trans-Propenoic acid
  686768.1324  0.1985 -5.3880 3 1264.8019195  72503 303971484      961383        s-trans-Propenoic acid
  686768.1324  0.1985 -4.8418 3 1264.8019195  72503 303971484      961483        s-trans-Propenoic acid
  686899.9003  0.1788 -4.6983 3 1173.8408179  72503 303892069      882068        s-trans-Propenoic acid
  686955.3894  0.6094 -5.3558 3 1458.5058181  72503 303904149      894148        s-trans-Propenoic acid
  686955.3894  0.6094 -5.3558 3 1458.5058181  72503 303904150      894149        s-trans-Propenoic acid
  687013.9311  0.1967 -4.8316 3 1257.1513193  72503 303961482      951481        s-trans-Propenoic acid
  687013.9311  0.1967 -5.3990 3 1257.1513193  72503 303961482      951581        s-trans-Propenoic acid
  687013.9311  0.1967 -5.3990 3 1257.1513193  72503 303961582      951481        s-trans-Propenoic acid
  687013.9311  0.1967 -4.8316 3 1257.1513193  72503 303961582      951581        s-trans-Propenoic acid
  687041.7332  0.0137 -5.2481 3  370.4348 95  72503 303471434      461235        s-trans-Propenoic acid
  687058.4765  0.3208 -5.1048 3  805.4095145  72503 303722053      711952        s-trans-Propenoic acid
  687158.1355  0.3349 -5.0036 3 1304.8850179  72503 303893357      883356        s-trans-Propenoic acid
  687158.1371  0.3349 -5.0036 3 1304.8850179  72503 303893356      883355        s-trans-Propenoic acid
  687237.7031  0.1989 -4.6325 3 1137.5533175  72503 303872166      862165        s-trans-Propenoic acid
  687350.7232  0.1945 -5.4111 3 1248.8727191  72503 303951580      941679        s-trans-Propenoic acid
  687350.7234  0.1945 -4.8199 3 1248.8727191  72503 303951680      941679        s-trans-Propenoic acid
  687350.7235  0.1945 -4.8199 3 1248.8727191  72503 303951580      941579        s-trans-Propenoic acid
  687350.7236  0.1945 -5.4111 3 1248.8727191  72503 303951680      941579        s-trans-Propenoic acid
  687488.5222  0.1915 -5.4930 3 1173.8408179  72503 303892169      882068        s-trans-Propenoic acid
  687617.3806  0.0914 -3.9609 3  420.2701 75  72503 3033730 7      3629 8        s-trans-Propenoic acid
  687617.3806  0.0914 -3.9609 3  420.2701 75  72503 3033730 8      3629 7        s-trans-Propenoic acid
  687673.9125  0.0064 -5.4703 3  246.7874 81  72503 30340 535      39 436        s-trans-Propenoic acid
  687674.5898  0.0064 -5.4703 3  246.7874 81  72503 30340 635      39 336        s-trans-Propenoic acid
  687721.0279  0.5740 -5.3117 3 1440.3822181  72503 303904050      894049        s-trans-Propenoic acid
  687721.0279  0.5740 -5.3117 3 1440.3822181  72503 303904051      894050        s-trans-Propenoic acid
  687774.7489  0.0148 -5.2900 3  340.1543 89  72503 303441530      431331        s-trans-Propenoic acid
  687811.2325  0.1922 -5.4247 3 1239.9398189  72503 303941678      931777        s-trans-Propenoic acid
  687811.2364  0.1922 -4.8067 3 1239.9398189  72503 303941778      931777        s-trans-Propenoic acid
  687811.2398  0.1922 -4.8067 3 1239.9398189  72503 303941678      931677        s-trans-Propenoic acid
  687811.2438  0.1922 -5.4247 3 1239.9398189  72503 303941778      931677        s-trans-Propenoic acid
  687845.4081  0.0097 -5.3146 3  347.4908 93  72503 303461235      451036        s-trans-Propenoic acid
  688129.7756  0.1302 -4.7156 3 1173.9506175  72503 303872661      862660        s-trans-Propenoic acid
  688443.9136  0.1896 -5.4405 3 1230.3187187  72503 303931776      921875        s-trans-Propenoic acid
  688444.0019  0.1896 -4.7918 3 1230.3187187  72503 303931876      921875        s-trans-Propenoic acid
  688444.0745  0.1896 -4.7918 3 1230.3187187  72503 303931776      921775        s-trans-Propenoic acid
  688444.1628  0.1897 -5.4405 3 1230.3187187  72503 303931876      921775        s-trans-Propenoic acid
  688545.7161  0.5394 -5.2687 3 1422.7565181  72503 303903951      893950        s-trans-Propenoic acid
  688545.7161  0.5394 -5.2687 3 1422.7565181  72503 303903952      893951        s-trans-Propenoic acid
  688588.4654  0.1298 -4.7812 3  653.1821129  72503 303641946      631845        s-trans-Propenoic acid
  688649.4069  0.0095 -4.9738 3  347.4639 93  72503 303461235      45 936        s-trans-Propenoic acid
  688673.6437  0.1621 -4.6744 3 1160.7738177  72503 303882267      872266        s-trans-Propenoic acid
  688704.3184  0.3057 -4.9684 3 1290.8958179  72503 303893258      883257        s-trans-Propenoic acid
  688704.3366  0.3057 -4.9684 3 1290.8958179  72503 303893257      883256        s-trans-Propenoic acid
  688822.1484  0.0814 -3.9872 3  426.0751 79  72503 303392910      382811        s-trans-Propenoic acid
  688822.1484  0.0814 -3.9872 3  426.0751 79  72503 303392911      382810        s-trans-Propenoic acid
  688827.5184  0.1334 -4.6508 3 1146.7986175  72503 303872365      862364        s-trans-Propenoic acid
  688888.0974  0.1071 -4.5124 3 1075.5462169  72503 303842262      832261        s-trans-Propenoic acid
  688961.2252  0.1884 -4.8071 3 1217.9224177  72503 303882861      872860        s-trans-Propenoic acid
  689021.0651  0.1879 -4.8070 3 1217.9250177  72503 303882860      872859        s-trans-Propenoic acid
  689323.0201  0.1871 -5.4597 3 1219.9639185  72503 303921874      911973        s-trans-Propenoic acid
  689324.7102  0.1872 -4.7750 3 1219.9639185  72503 303921974      911973        s-trans-Propenoic acid
  689326.0152  0.1872 -4.7750 3 1219.9638185  72503 303921874      911873        s-trans-Propenoic acid
  689327.7053  0.1873 -5.4597 3 1219.9638185  72503 303921974      911873        s-trans-Propenoic acid
  689437.8000  0.5054 -5.2269 3 1405.6337181  72503 303903852      893851        s-trans-Propenoic acid
  689437.8000  0.5054 -5.2269 3 1405.6337181  72503 303903853      893852        s-trans-Propenoic acid
  689439.2325  0.0113 -5.2733 3  364.9886 95  72503 303471335      461136        s-trans-Propenoic acid
  689747.7716  0.0796 -4.6326 3  603.4059123  72503 303611943      601842        s-trans-Propenoic acid
  689782.3856  0.0136 -5.4205 3  282.4411 77  72503 303381622      371423        s-trans-Propenoic acid
  689818.1748  0.0136 -5.4205 3  282.4399 77  72503 303381623      371424        s-trans-Propenoic acid
  689950.9357  0.0564 -4.4407 3  549.3005115  72503 303572038      561937        s-trans-Propenoic acid
  689967.8329  0.0081 -5.3684 3  330.1598 91  72503 303451135      44 936        s-trans-Propenoic acid
  689987.3282  0.0726 -4.0166 3  433.3948 83  72503 303412813      402714        s-trans-Propenoic acid
  689987.3282  0.0726 -4.0166 3  433.3948 83  72503 303412814      402713        s-trans-Propenoic acid
  690026.1873  0.1206 -4.6900 3 1164.3192175  72503 303872563      862562        s-trans-Propenoic acid
  690099.4535  0.0563 -4.4405 3  549.2964115  72503 303572037      561938        s-trans-Propenoic acid
  690116.7084  0.0081 -5.0094 3  330.1548 91  72503 303451135      44 836        s-trans-Propenoic acid
  690407.3266  0.4721 -5.1862 3 1389.0195181  72503 303903753      893752        s-trans-Propenoic acid
  690407.3266  0.4721 -5.1862 3 1389.0195181  72503 303903754      893753        s-trans-Propenoic acid
  690460.6473  0.2769 -4.9343 3 1277.4773179  72503 303893159      883158        s-trans-Propenoic acid
  690460.8332  0.2769 -4.9343 3 1277.4774179  72503 303893158      883157        s-trans-Propenoic acid
  690548.2075  0.1843 -5.4842 3 1208.8120183  72503 303911972      902071        s-trans-Propenoic acid
  690575.3360  0.1851 -4.7561 3 1208.8120183  72503 303912072      902071        s-trans-Propenoic acid
  690594.7229  0.1855 -4.7560 3 1208.8104183  72503 303911972      901971        s-trans-Propenoic acid
  690621.8514  0.1862 -5.4841 3 1208.8104183  72503 303912072      901971        s-trans-Propenoic acid
  690854.7430  0.1080 -5.5750 3 1183.7455179  72503 303892168      882267        s-trans-Propenoic acid
  690870.3414  0.0060 -5.3285 3  262.9527 83  72503 30341 635      40 536        s-trans-Propenoic acid
  690876.2762  0.0060 -5.3285 3  262.9527 83  72503 30341 735      40 436        s-trans-Propenoic acid
  690994.6686  0.0072 -5.0636 3  313.0159 89  72503 30344 935      43 836        s-trans-Propenoic acid
  691018.0501  0.0072 -5.4340 3  313.0151 89  72503 30344 935      43 736        s-trans-Propenoic acid
  691089.8750  0.0652 -4.0494 3  442.2420 87  72503 303432716      422617        s-trans-Propenoic acid
  691089.8750  0.0652 -4.0494 3  442.2420 87  72503 303432717      422616        s-trans-Propenoic acid
  691115.3421  0.1089 -4.7273 3  636.2297127  72503 303631945      621844        s-trans-Propenoic acid
  691334.5939  0.1182 -4.6672 3 1155.4076175  72503 303872464      862463        s-trans-Propenoic acid
  691368.0106  0.0923 -4.6777 3  619.6417125  72503 303621944      611843        s-trans-Propenoic acid
  691466.5438  0.4394 -5.1467 3 1372.9207181  72503 303903654      893653        s-trans-Propenoic acid
  691466.5438  0.4394 -5.1467 3 1372.9207181  72503 303903655      893654        s-trans-Propenoic acid
  691781.4715  0.2013 -4.6698 3 1160.4770177  72503 303882167      872166        s-trans-Propenoic acid
  692001.9226  0.1745 -5.5180 3 1196.7729181  72503 303902070      892169        s-trans-Propenoic acid
  692096.0137  0.0594 -4.0861 3  452.6329 91  72503 303452619      442520        s-trans-Propenoic acid
  692096.0137  0.0594 -4.0861 3  452.6329 91  72503 303452620      442519        s-trans-Propenoic acid
  692131.2461  0.1625 -4.7769 3 1206.9828177  72503 303882762      872761        s-trans-Propenoic acid
  692352.5299  0.0068 -5.4327 3  313.0159 89  72503 303441035      43 836        s-trans-Propenoic acid
  692359.2939  0.1828 -4.7344 3 1196.7729181  72503 303902170      892169        s-trans-Propenoic acid
  692375.9114  0.0068 -5.0623 3  313.0151 89  72503 303441035      43 736        s-trans-Propenoic acid
  692427.1042  0.2365 -4.9145 3 1325.0074211  72503 303A5 699      A4 698        s-trans-Propenoic acid
  692427.1042  0.2365 -5.3540 3 1325.0074211  72503 303A5 699      A4 798        s-trans-Propenoic acid
  692427.1042  0.2365 -5.3540 3 1325.0074211  72503 303A5 799      A4 698        s-trans-Propenoic acid
  692427.1042  0.2365 -4.9145 3 1325.0074211  72503 303A5 799      A4 798        s-trans-Propenoic acid
  692427.9485  0.2502 -4.9153 3 1328.1407213  72503 303A6 5A1      A5 5A0        s-trans-Propenoic acid
  692427.9485  0.2502 -5.3438 3 1328.1407213  72503 303A6 5A1      A5 6A0        s-trans-Propenoic acid
  692427.9485  0.2502 -5.3438 3 1328.1407213  72503 303A6 6A1      A5 5A0        s-trans-Propenoic acid
  692427.9485  0.2502 -4.9153 3 1328.1407213  72503 303A6 6A1      A5 6A0        s-trans-Propenoic acid
  692433.6489  0.2694 -4.9150 3 1330.7448215  72503 303A7 4A3      A6 4A2        s-trans-Propenoic acid
  692433.6489  0.2694 -5.3331 3 1330.7448215  72503 303A7 4A3      A6 5A2        s-trans-Propenoic acid
  692433.6489  0.2694 -5.3331 3 1330.7448215  72503 303A7 5A3      A6 4A2        s-trans-Propenoic acid
  692433.6489  0.2694 -4.9150 3 1330.7448215  72503 303A7 5A3      A6 5A2        s-trans-Propenoic acid
  692434.0362  0.2272 -4.9127 3 1321.3400209  72503 303A4 797      A3 796        s-trans-Propenoic acid
  692434.0362  0.2272 -5.3640 3 1321.3400209  72503 303A4 797      A3 896        s-trans-Propenoic acid
  692434.0362  0.2272 -5.3640 3 1321.3400209  72503 303A4 897      A3 796        s-trans-Propenoic acid
  692434.0362  0.2272 -4.9127 3 1321.3400209  72503 303A4 897      A3 896        s-trans-Propenoic acid
  692441.7997  0.2952 -4.9137 3 1332.8241217  72503 303A8 3A5      A7 3A4        s-trans-Propenoic acid
  692441.7997  0.2952 -5.3220 3 1332.8241217  72503 303A8 3A5      A7 4A4        s-trans-Propenoic acid
  692441.7997  0.2952 -5.3220 3 1332.8241217  72503 303A8 4A5      A7 3A4        s-trans-Propenoic acid
  692441.7997  0.2952 -4.9137 3 1332.8241217  72503 303A8 4A5      A7 4A4        s-trans-Propenoic acid
  692450.4013  0.3287 -4.9113 3 1334.3824219  72503 303A9 2A7      A8 2A6        s-trans-Propenoic acid
  692450.4013  0.3287 -5.3104 3 1334.3824219  72503 303A9 2A7      A8 3A6        s-trans-Propenoic acid
  692450.4013  0.3287 -5.3104 3 1334.3824219  72503 303A9 3A7      A8 2A6        s-trans-Propenoic acid
  692450.4013  0.3287 -4.9113 3 1334.3824219  72503 303A9 3A7      A8 3A6        s-trans-Propenoic acid
  692452.3221  0.2210 -4.9097 3 1317.1325207  72503 303A3 895      A2 894        s-trans-Propenoic acid
  692452.3221  0.2210 -5.3736 3 1317.1325207  72503 303A3 895      A2 994        s-trans-Propenoic acid
  692452.3221  0.2210 -5.3736 3 1317.1325207  72503 303A3 995      A2 894        s-trans-Propenoic acid
  692452.3221  0.2210 -4.9097 3 1317.1325207  72503 303A3 995      A2 994        s-trans-Propenoic acid
  692457.7778  0.3706 -4.9079 3 1335.4229221  72503 303B0 1A9      A9 1A8        s-trans-Propenoic acid
  692457.7778  0.3706 -5.2982 3 1335.4229221  72503 303B0 1A9      A9 2A8        s-trans-Propenoic acid
  692457.7778  0.3706 -5.2982 3 1335.4229221  72503 303B0 2A9      A9 1A8        s-trans-Propenoic acid
  692457.7778  0.3706 -4.9079 3 1335.4229221  72503 303B0 2A9      A9 2A8        s-trans-Propenoic acid
  692462.5131  0.4216 -4.9034 3 1335.9484223  72503 303B1 0B1      B0 0B0        s-trans-Propenoic acid
  692462.5131  0.4216 -5.2855 3 1335.9484223  72503 303B1 0B1      B0 1B0        s-trans-Propenoic acid
  692462.5131  0.4216 -5.2855 3 1335.9484223  72503 303B1 1B1      B0 0B0        s-trans-Propenoic acid
  692462.5131  0.4216 -4.9034 3 1335.9484223  72503 303B1 1B1      B0 1B0        s-trans-Propenoic acid
  692483.4091  0.2484 -4.9013 3 1264.6516179  72503 303893060      883059        s-trans-Propenoic acid
  692485.1235  0.2484 -4.9013 3 1264.6517179  72503 303893059      883058        s-trans-Propenoic acid
  692486.3908  0.2170 -4.9056 3 1312.3783205  72503 303A2 993      A1 992        s-trans-Propenoic acid
  692486.3908  0.2170 -5.3830 3 1312.3783205  72503 303A2 993      A11092        s-trans-Propenoic acid
  692486.3908  0.2170 -5.3830 3 1312.3783205  72503 303A21093      A1 992        s-trans-Propenoic acid
  692486.3908  0.2170 -4.9056 3 1312.3783205  72503 303A21093      A11092        s-trans-Propenoic acid
  692523.5723  0.1597 -4.7765 3 1207.0017177  72503 303882761      872760        s-trans-Propenoic acid
  692541.7867  0.2144 -4.9004 3 1307.0692203  72503 303A11091      A01090        s-trans-Propenoic acid
  692541.7867  0.2144 -5.3924 3 1307.0692203  72503 303A11091      A01190        s-trans-Propenoic acid
  692541.7867  0.2144 -5.3924 3 1307.0692203  72503 303A11191      A01090        s-trans-Propenoic acid
  692541.7867  0.2144 -4.9004 3 1307.0692203  72503 303A11191      A01190        s-trans-Propenoic acid
  692588.9960  0.0539 -4.3558 3  528.8005111  72503 303552135      542034        s-trans-Propenoic acid
  692590.5444  0.1871 -4.7341 3 1196.7533181  72503 303902070      892069        s-trans-Propenoic acid
  692592.7257  0.0539 -4.3558 3  528.8004111  72503 303552134      542035        s-trans-Propenoic acid
  692625.5403  0.2125 -4.8939 3 1301.1960201  72503 303A01189      991188        s-trans-Propenoic acid
  692625.5403  0.2125 -5.4017 3 1301.1960201  72503 303A01189      991288        s-trans-Propenoic acid
  692625.5403  0.2125 -5.4017 3 1301.1960201  72503 303A01289      991188        s-trans-Propenoic acid
  692625.5403  0.2125 -4.8939 3 1301.1960201  72503 303A01289      991288        s-trans-Propenoic acid
  692630.6080  0.4074 -5.1083 3 1357.3454181  72503 303903555      893554        s-trans-Propenoic acid
  692630.6080  0.4074 -5.1083 3 1357.3454181  72503 303903556      893555        s-trans-Propenoic acid
  692664.5924  0.1148 -3.9256 3  421.4783 69  72503 3033432 2      3331 3        s-trans-Propenoic acid
  692664.5924  0.1148 -3.9256 3  421.4783 69  72503 3033432 3      3331 2        s-trans-Propenoic acid
  692746.6977  0.2108 -4.8863 3 1294.7474199  72503 303991287      981286        s-trans-Propenoic acid
  692746.6977  0.2108 -5.4113 3 1294.7474199  72503 303991287      981386        s-trans-Propenoic acid
  692746.6977  0.2108 -5.4113 3 1294.7474199  72503 303991387      981286        s-trans-Propenoic acid
  692746.6977  0.2108 -4.8863 3 1294.7474199  72503 303991387      981386        s-trans-Propenoic acid
  692767.7077  0.7450 -5.5255 3 1538.6712183  72503 303914447      904446        s-trans-Propenoic acid
  692767.7077  0.7450 -5.5255 3 1538.6712183  72503 303914448      904447        s-trans-Propenoic acid
  692825.3676  0.0160 -5.2784 3  351.7153 91  72503 303451531      441332        s-trans-Propenoic acid
  692828.7879  0.0058 -5.2183 3  279.3907 85  72503 30342 735      41 636        s-trans-Propenoic acid
  692872.0787  0.0058 -5.2182 3  279.3907 85  72503 30342 835      41 536        s-trans-Propenoic acid
  692881.9785  0.0615 -4.5853 3  587.3447121  72503 303601941      591842        s-trans-Propenoic acid
  692917.0988  0.2092 -4.8774 3 1287.7100197  72503 303981385      971384        s-trans-Propenoic acid
  692917.0988  0.2092 -5.4212 3 1287.7100197  72503 303981385      971484        s-trans-Propenoic acid
  692917.0988  0.2092 -5.4212 3 1287.7100197  72503 303981485      971384        s-trans-Propenoic acid
  692917.0988  0.2092 -4.8774 3 1287.7100197  72503 303981485      971484        s-trans-Propenoic acid
  692947.9158  0.1954 -5.5168 3 1196.7533181  72503 303902170      892069        s-trans-Propenoic acid
  692950.0780  0.4538 -5.2943 3  932.6959157  72503 303782158      772057        s-trans-Propenoic acid
  692955.7960  0.0553 -4.1273 3  464.5888 95  72503 303472522      462423        s-trans-Propenoic acid
  692955.7960  0.0553 -4.1273 3  464.5888 95  72503 303472523      462422        s-trans-Propenoic acid
  693094.1833  0.0114 -4.9690 3  364.8666 95  72503 303471335      461036        s-trans-Propenoic acid
  693152.5584  0.2073 -4.8671 3 1280.0677195  72503 303971483      961482        s-trans-Propenoic acid
  693152.5584  0.2073 -5.4317 3 1280.0677195  72503 303971483      961582        s-trans-Propenoic acid
  693152.5584  0.2073 -5.4317 3 1280.0677195  72503 303971583      961482        s-trans-Propenoic acid
  693152.5584  0.2073 -4.8671 3 1280.0677195  72503 303971583      961582        s-trans-Propenoic acid
  693157.8913  0.0061 -5.1314 3  296.0850 87  72503 30343 835      42 736        s-trans-Propenoic acid
  693160.9929  0.0061 -5.5096 3  296.0849 87  72503 30343 835      42 636        s-trans-Propenoic acid
  693414.9704  0.7060 -5.4780 3 1519.0984183  72503 303914348      904347        s-trans-Propenoic acid
  693414.9704  0.7060 -5.4780 3 1519.0984183  72503 303914349      904348        s-trans-Propenoic acid
  693420.8663  0.0060 -5.5093 3  296.0850 87  72503 30343 935      42 736        s-trans-Propenoic acid
  693423.9679  0.0060 -5.1311 3  296.0849 87  72503 30343 935      42 636        s-trans-Propenoic acid
  693474.7274  0.2051 -5.4431 3 1271.8003193  72503 303961581      951680        s-trans-Propenoic acid
  693474.7275  0.2051 -4.8554 3 1271.8003193  72503 303961581      951580        s-trans-Propenoic acid
  693474.7275  0.2051 -4.8554 3 1271.8003193  72503 303961681      951680        s-trans-Propenoic acid
  693474.7276  0.2051 -5.4431 3 1271.8003193  72503 303961681      951580        s-trans-Propenoic acid
  693554.9966  0.0160 -4.9886 3  359.0750 95  72503 303471136      461037        s-trans-Propenoic acid
  693594.0598  0.0528 -4.1735 3  478.1377 99  72503 303492425      482326        s-trans-Propenoic acid
  693594.0598  0.0528 -4.1735 3  478.1377 99  72503 303492426      482325        s-trans-Propenoic acid
  693636.5904  0.0374 -4.9592 3  420.6306103  72503 303511338      501239        s-trans-Propenoic acid
  693668.7688  0.0524 -4.2858 3  510.1795107  72503 303532232      522131        s-trans-Propenoic acid
  693668.8297  0.0524 -4.2858 3  510.1795107  72503 303532231      522132        s-trans-Propenoic acid
  693894.4580  0.0519 -4.2259 3  493.3172103  72503 303512329      502228        s-trans-Propenoic acid
  693894.4587  0.0519 -4.2259 3  493.3172103  72503 303512328      502229        s-trans-Propenoic acid
  693902.9099  0.1025 -3.9472 3  424.7939 73  72503 3033631 5      3530 6        s-trans-Propenoic acid
  693902.9099  0.1025 -3.9472 3  424.7939 73  72503 3033631 6      3530 5        s-trans-Propenoic acid
  693914.1703  0.2027 -5.4560 3 1262.8828191  72503 303951679      941778        s-trans-Propenoic acid
  693914.1724  0.2027 -4.8422 3 1262.8828191  72503 303951779      941778        s-trans-Propenoic acid
  693914.1742  0.2027 -4.8422 3 1262.8828191  72503 303951679      941678        s-trans-Propenoic acid
  693914.1763  0.2027 -5.4560 3 1262.8828191  72503 303951779      941678        s-trans-Propenoic acid
  693918.6090  0.3760 -5.0711 3 1342.3033181  72503 303903457      893456        s-trans-Propenoic acid
  693918.6092  0.3760 -5.0711 3 1342.3033181  72503 303903456      893455        s-trans-Propenoic acid
  694024.5435  0.0158 -5.3368 3  359.0594 95  72503 303471136      46 937        s-trans-Propenoic acid
  694105.0154  0.6677 -5.4317 3 1500.0135183  72503 303914249      904248        s-trans-Propenoic acid
  694105.0154  0.6677 -5.4317 3 1500.0135183  72503 303914250      904249        s-trans-Propenoic acid
  694367.4113  0.0187 -5.5501 3  252.3500 69  72503 303341717      331518        s-trans-Propenoic acid
  694367.4971  0.0187 -5.5501 3  252.3500 69  72503 303341718      331519        s-trans-Propenoic acid
  694515.7189  0.2002 -5.4709 3 1253.2828189  72503 303941777      931876        s-trans-Propenoic acid
  694515.7672  0.2002 -4.8274 3 1253.2828189  72503 303941877      931876        s-trans-Propenoic acid
  694515.8072  0.2002 -4.8274 3 1253.2828189  72503 303941777      931776        s-trans-Propenoic acid
  694515.8554  0.2002 -5.4709 3 1253.2828189  72503 303941877      931776        s-trans-Propenoic acid
  694567.5525  0.1747 -4.7100 3 1183.7455179  72503 303892268      882267        s-trans-Propenoic acid
  694653.8165  0.1431 -4.5488 3 1098.5250171  72503 303852263      842262        s-trans-Propenoic acid
  694843.1821  0.6302 -5.3866 3 1481.4201183  72503 303914150      904149        s-trans-Propenoic acid
  694843.1821  0.6302 -5.3866 3 1481.4201183  72503 303914151      904150        s-trans-Propenoic acid
  694852.5950  0.2202 -4.8693 3 1252.4475179  72503 303892961      882960        s-trans-Propenoic acid
  694866.7269  0.2200 -4.8693 3 1252.4481179  72503 303892960      882959        s-trans-Propenoic acid
  694887.6230  0.0404 -5.2343 3  452.9678107  72503 303531439      521240        s-trans-Propenoic acid
  695125.2830  0.0914 -3.9715 3  429.6085 77  72503 3033830 8      3729 9        s-trans-Propenoic acid
  695125.2830  0.0914 -3.9715 3  429.6085 77  72503 3033830 9      3729 8        s-trans-Propenoic acid
  695347.7486  0.1976 -5.4889 3 1242.9573187  72503 303931875      921974        s-trans-Propenoic acid
  695348.6974  0.1976 -4.8107 3 1242.9573187  72503 303931975      921974        s-trans-Propenoic acid
  695349.4387  0.1976 -4.8107 3 1242.9573187  72503 303931875      921874        s-trans-Propenoic acid
  695350.3875  0.1977 -5.4889 3 1242.9573187  72503 303931975      921874        s-trans-Propenoic acid
  695355.1124  0.3450 -5.0349 3 1327.8062181  72503 303903358      893357        s-trans-Propenoic acid
  695355.1157  0.3450 -5.0349 3 1327.8062181  72503 303903357      893356        s-trans-Propenoic acid
  695482.3348  0.1484 -4.6853 3 1169.7754177  72503 303882366      872365        s-trans-Propenoic acid
  695534.1434  0.0138 -5.4005 3  292.2729 79  72503 303391623      381424        s-trans-Propenoic acid
  695562.2288  0.0486 -4.7179 3  596.4402123  72503 303611843      601744        s-trans-Propenoic acid
  695607.3901  0.0138 -5.4004 3  292.2704 79  72503 303391624      381425        s-trans-Propenoic acid
  695635.7275  0.5935 -5.3426 3 1463.3221183  72503 303914051      904050        s-trans-Propenoic acid
  695635.7275  0.5935 -5.3426 3 1463.3221183  72503 303914052      904051        s-trans-Propenoic acid
  695675.3367  0.1399 -4.7480 3 1196.7863177  72503 303882663      872662        s-trans-Propenoic acid
  696135.2295  0.3442 -5.5233 3 1137.5533175  72503 303872266      862165        s-trans-Propenoic acid
  696213.3782  0.1193 -4.6829 3 1164.7108175  72503 303872562      862561        s-trans-Propenoic acid
  696238.5533  0.0611 -4.4690 3  564.1539117  72503 303582039      571938        s-trans-Propenoic acid
  696319.8919  0.0816 -3.9986 3  435.9304 81  72503 303402911      392812        s-trans-Propenoic acid
  696319.8919  0.0816 -3.9986 3  435.9304 81  72503 303402912      392811        s-trans-Propenoic acid
  696490.0477  0.5575 -5.2998 3 1445.7239183  72503 303913952      903951        s-trans-Propenoic acid
  696490.0477  0.5575 -5.2998 3 1445.7239183  72503 303913953      903952        s-trans-Propenoic acid
  696493.6133  0.3941 -5.5055 3 1114.7692173  72503 303862265      852164        s-trans-Propenoic acid
  696508.5371  0.1949 -5.5117 3 1231.8471185  72503 303921973      912072        s-trans-Propenoic acid
  696515.0482  0.0608 -4.4687 3  564.1463117  72503 303582038      571939        s-trans-Propenoic acid
  696524.2584  0.1954 -4.7919 3 1231.8471185  72503 303922073      912072        s-trans-Propenoic acid
  696535.6656  0.1956 -4.7919 3 1231.8462185  72503 303921973      911972        s-trans-Propenoic acid
  696551.3869  0.1961 -5.5116 3 1231.8462185  72503 303922073      911972        s-trans-Propenoic acid
  696644.4417  0.2045 -4.7070 3 1183.5524179  72503 303892168      882167        s-trans-Propenoic acid
  696838.1047  0.0255 -4.9746 3  389.2352 99  72503 303491237      481138        s-trans-Propenoic acid
  696972.5694  0.3146 -4.9999 3 1313.8685181  72503 303903259      893258        s-trans-Propenoic acid
  696972.6052  0.3146 -4.9999 3 1313.8685181  72503 303903258      893257        s-trans-Propenoic acid
  697122.9938  0.0967 -4.5581 3 1104.1322171  72503 303852362      842361        s-trans-Propenoic acid
  697229.3141  0.0345 -5.2776 3  420.5107103  72503 303511338      501139        s-trans-Propenoic acid
  697346.0575  0.1274 -4.6187 3 1133.7371173  72503 303862462      852461        s-trans-Propenoic acid
  697414.9721  0.5222 -5.2582 3 1428.6308183  72503 303913853      903852        s-trans-Propenoic acid
  697414.9721  0.5222 -5.2582 3 1428.6308183  72503 303913854      903853        s-trans-Propenoic acid
  697469.4564  0.0732 -4.0290 3  443.7704 85  72503 303422814      412715        s-trans-Propenoic acid
  697469.4564  0.0732 -4.0290 3  443.7704 85  72503 303422815      412714        s-trans-Propenoic acid
  697571.1701  0.3051 -5.5422 3 1160.4770177  72503 303882267      872166        s-trans-Propenoic acid
  697672.4797  0.1922 -4.8383 3 1240.9037179  72503 303892862      882861        s-trans-Propenoic acid
  697775.0973  0.1913 -4.8382 3 1240.9083179  72503 303892861      882860        s-trans-Propenoic acid
  697817.0479  0.1311 -4.7456 3 1196.9042177  72503 303882662      872661        s-trans-Propenoic acid
  697829.7670  0.0375 -5.1913 3  486.4894111  72503 303551540      541341        s-trans-Propenoic acid
  697989.5981  0.1878 -5.5426 3 1219.8676183  72503 303912071      902170        s-trans-Propenoic acid
  698194.1014  0.0245 -5.3087 3  389.1900 99  72503 303491237      481038        s-trans-Propenoic acid
  698204.7624  0.1933 -4.7705 3 1219.8676183  72503 303912171      902170        s-trans-Propenoic acid
  698310.7162  0.0174 -5.2686 3  363.5455 93  72503 303461532      451333        s-trans-Propenoic acid
  698346.9694  0.1962 -4.7703 3 1219.8556183  72503 303912071      902070        s-trans-Propenoic acid
  698421.1615  0.4875 -5.2177 3 1412.0490183  72503 303913754      903753        s-trans-Propenoic acid
  698421.1615  0.4875 -5.2177 3 1412.0490183  72503 303913755      903754        s-trans-Propenoic acid
  698548.7993  0.0663 -4.0629 3  453.1420 89  72503 303442717      432618        s-trans-Propenoic acid
  698548.7993  0.0663 -4.0629 3  453.1420 89  72503 303442718      432617        s-trans-Propenoic acid
  698562.1337  0.2016 -5.5418 3 1219.8556183  72503 303912171      902070        s-trans-Propenoic acid
  698599.0090  0.2493 -4.9509 3 1348.1043213  72503 303A6 6A0      A5 699        s-trans-Propenoic acid
  698599.0090  0.2493 -5.3898 3 1348.1043213  72503 303A6 6A0      A5 799        s-trans-Propenoic acid
  698599.0090  0.2493 -5.3898 3 1348.1043213  72503 303A6 7A0      A5 699        s-trans-Propenoic acid
  698599.0090  0.2493 -4.9509 3 1348.1043213  72503 303A6 7A0      A5 799        s-trans-Propenoic acid
  698600.5365  0.2638 -4.9518 3 1351.2376215  72503 303A7 5A2      A6 5A1        s-trans-Propenoic acid
  698600.5365  0.2638 -5.3797 3 1351.2376215  72503 303A7 5A2      A6 6A1        s-trans-Propenoic acid
  698600.5365  0.2638 -5.3797 3 1351.2376215  72503 303A7 6A2      A6 5A1        s-trans-Propenoic acid
  698600.5365  0.2638 -4.9518 3 1351.2376215  72503 303A7 6A2      A6 6A1        s-trans-Propenoic acid
  698604.9516  0.2393 -4.9490 3 1344.4371211  72503 303A5 798      A4 797        s-trans-Propenoic acid
  698604.9516  0.2393 -5.3995 3 1344.4371211  72503 303A5 798      A4 897        s-trans-Propenoic acid
  698604.9516  0.2393 -5.3995 3 1344.4371211  72503 303A5 898      A4 797        s-trans-Propenoic acid
  698604.9516  0.2393 -4.9490 3 1344.4371211  72503 303A5 898      A4 897        s-trans-Propenoic acid
  698606.6917  0.2840 -4.9515 3 1353.8419217  72503 303A8 4A4      A7 4A3        s-trans-Propenoic acid
  698606.6917  0.2840 -5.3692 3 1353.8419217  72503 303A8 4A4      A7 5A3        s-trans-Propenoic acid
  698606.6917  0.2840 -5.3692 3 1353.8419217  72503 303A8 5A4      A7 4A3        s-trans-Propenoic acid
  698606.6917  0.2840 -4.9515 3 1353.8419217  72503 303A8 5A4      A7 5A3        s-trans-Propenoic acid
  698615.1270  0.3112 -4.9502 3 1355.9215219  72503 303A9 3A6      A8 3A5        s-trans-Propenoic acid
  698615.1270  0.3112 -5.3583 3 1355.9215219  72503 303A9 3A6      A8 4A5        s-trans-Propenoic acid
  698615.1270  0.3112 -5.3583 3 1355.9215219  72503 303A9 4A6      A8 3A5        s-trans-Propenoic acid
  698615.1270  0.3112 -4.9502 3 1355.9215219  72503 303A9 4A6      A8 4A5        s-trans-Propenoic acid
  698621.8373  0.2327 -4.9460 3 1340.2303209  72503 303A4 896      A3 895        s-trans-Propenoic acid
  698621.8373  0.2327 -5.4089 3 1340.2303209  72503 303A4 896      A3 995        s-trans-Propenoic acid
  698621.8373  0.2327 -5.4089 3 1340.2303209  72503 303A4 996      A3 895        s-trans-Propenoic acid
  698621.8373  0.2327 -4.9460 3 1340.2303209  72503 303A4 996      A3 995        s-trans-Propenoic acid
  698623.8863  0.3462 -4.9479 3 1357.4801221  72503 303B0 2A8      A9 2A7        s-trans-Propenoic acid
  698623.8863  0.3462 -5.3468 3 1357.4801221  72503 303B0 2A8      A9 3A7        s-trans-Propenoic acid
  698623.8863  0.3462 -5.3468 3 1357.4801221  72503 303B0 3A8      A9 2A7        s-trans-Propenoic acid
  698623.8863  0.3462 -4.9479 3 1357.4801221  72503 303B0 3A8      A9 3A7        s-trans-Propenoic acid
  698631.3261  0.3898 -4.9445 3 1358.5208223  72503 303B1 1B0      B0 1A9        s-trans-Propenoic acid
  698631.3261  0.3898 -5.3348 3 1358.5208223  72503 303B1 1B0      B0 2A9        s-trans-Propenoic acid
  698631.3261  0.3898 -5.3348 3 1358.5208223  72503 303B1 2B0      B0 1A9        s-trans-Propenoic acid
  698631.3261  0.3898 -4.9445 3 1358.5208223  72503 303B1 2B0      B0 2A9        s-trans-Propenoic acid
  698636.0548  0.4429 -4.9401 3 1359.0464225  72503 303B2 0B2      B1 0B1        s-trans-Propenoic acid
  698636.0548  0.4429 -5.3222 3 1359.0464225  72503 303B2 0B2      B1 1B1        s-trans-Propenoic acid
  698636.0548  0.4429 -5.3222 3 1359.0464225  72503 303B2 1B2      B1 0B1        s-trans-Propenoic acid
  698636.0548  0.4429 -4.9401 3 1359.0464225  72503 303B2 1B2      B1 1B1        s-trans-Propenoic acid
  698653.9529  0.2285 -4.9419 3 1335.4771207  72503 303A3 994      A2 993        s-trans-Propenoic acid
  698653.9529  0.2285 -5.4181 3 1335.4771207  72503 303A3 994      A21093        s-trans-Propenoic acid
  698653.9529  0.2285 -5.4181 3 1335.4771207  72503 303A31094      A2 993        s-trans-Propenoic acid
  698653.9529  0.2285 -4.9419 3 1335.4771207  72503 303A31094      A21093        s-trans-Propenoic acid
  698658.4819  0.1260 -4.7216 3 1187.3360177  72503 303882564      872563        s-trans-Propenoic acid
  698706.6482  0.2257 -4.9366 3 1330.1699205  72503 303A21092      A11091        s-trans-Propenoic acid
  698706.6482  0.2257 -5.4271 3 1330.1699205  72503 303A21092      A11191        s-trans-Propenoic acid
  698706.6482  0.2257 -5.4271 3 1330.1699205  72503 303A21192      A11091        s-trans-Propenoic acid
  698706.6482  0.2257 -4.9366 3 1330.1699205  72503 303A21192      A11191        s-trans-Propenoic acid
  698786.6834  0.2236 -4.9301 3 1324.2995203  72503 303A11190      A01189        s-trans-Propenoic acid
  698786.6834  0.2236 -5.4362 3 1324.2995203  72503 303A11190      A01289        s-trans-Propenoic acid
  698786.6834  0.2236 -5.4362 3 1324.2995203  72503 303A11290      A01189        s-trans-Propenoic acid
  698786.6834  0.2236 -4.9301 3 1324.2995203  72503 303A11290      A01289        s-trans-Propenoic acid
  698815.2193  0.2845 -4.9660 3 1300.5086181  72503 303903160      893159        s-trans-Propenoic acid
  698815.5724  0.2845 -4.9660 3 1300.5086181  72503 303903159      893158        s-trans-Propenoic acid
  698902.7230  0.2219 -4.9224 3 1317.8549201  72503 303A01288      991287        s-trans-Propenoic acid
  698902.7230  0.2219 -5.4454 3 1317.8549201  72503 303A01288      991387        s-trans-Propenoic acid
  698902.7230  0.2219 -5.4454 3 1317.8549201  72503 303A01388      991287        s-trans-Propenoic acid
  698902.7230  0.2219 -4.9224 3 1317.8549201  72503 303A01388      991387        s-trans-Propenoic acid
  698936.1344  0.1277 -3.9152 3  427.7105 67  72503 3033333 0      3232 1        s-trans-Propenoic acid
  698936.1344  0.1277 -3.9152 3  427.7105 67  72503 3033333 1      3232 0        s-trans-Propenoic acid
  699066.0573  0.2202 -4.9134 3 1310.8232199  72503 303991386      981385        s-trans-Propenoic acid
  699066.0573  0.2202 -5.4549 3 1310.8232199  72503 303991386      981485        s-trans-Propenoic acid
  699066.0573  0.2202 -5.4549 3 1310.8232199  72503 303991486      981385        s-trans-Propenoic acid
  699066.0573  0.2202 -4.9134 3 1310.8232199  72503 303991486      981485        s-trans-Propenoic acid
  699088.0285  0.1292 -4.7003 3 1178.4680177  72503 303882465      872464        s-trans-Propenoic acid
  699104.3355  0.4519 -5.4884 3 1092.1137171  72503 303852264      842163        s-trans-Propenoic acid
  699136.0475  0.0145 -5.2513 3  382.6618 97  72503 303481435      471236        s-trans-Propenoic acid
  699145.4891  0.2958 -5.0571 3  785.9561143  72503 303712052      701951        s-trans-Propenoic acid
  699291.6892  0.2183 -4.9032 3 1303.1887197  72503 303981484      971483        s-trans-Propenoic acid
  699291.6892  0.2183 -5.4649 3 1303.1887197  72503 303981484      971583        s-trans-Propenoic acid
  699291.6892  0.2183 -5.4649 3 1303.1887197  72503 303981584      971483        s-trans-Propenoic acid
  699291.6892  0.2183 -4.9032 3 1303.1887197  72503 303981584      971583        s-trans-Propenoic acid
  699334.2546  0.1812 -4.5872 3 1121.6962173  72503 303862264      852263        s-trans-Propenoic acid
  699380.2736  0.0581 -4.3800 3  543.0277113  72503 303562136      552035        s-trans-Propenoic acid
  699387.8735  0.0581 -4.3799 3  543.0275113  72503 303562135      552036        s-trans-Propenoic acid
  699521.1033  0.0610 -4.1009 3  464.0626 93  72503 303462620      452521        s-trans-Propenoic acid
  699521.1033  0.0610 -4.1009 3  464.0626 93  72503 303462621      452520        s-trans-Propenoic acid
  699521.6595  0.4536 -5.1783 3 1395.9856183  72503 303913655      903654        s-trans-Propenoic acid
  699521.6595  0.4536 -5.1783 3 1395.9856183  72503 303913656      903655        s-trans-Propenoic acid
  699600.0317  0.2162 -5.4758 3 1294.9321195  72503 303971582      961681        s-trans-Propenoic acid
  699600.0317  0.2162 -4.8915 3 1294.9321195  72503 303971682      961681        s-trans-Propenoic acid
  699600.0318  0.2162 -4.8915 3 1294.9321195  72503 303971582      961581        s-trans-Propenoic acid
  699600.0318  0.2162 -5.4758 3 1294.9321195  72503 303971682      961581        s-trans-Propenoic acid
  699921.5188  0.0645 -4.6228 3  603.1402123  72503 303611942      601843        s-trans-Propenoic acid
  700019.6839  0.2137 -5.4880 3 1286.0292193  72503 303961680      951779        s-trans-Propenoic acid
  700019.6850  0.2137 -4.8783 3 1286.0292193  72503 303961780      951779        s-trans-Propenoic acid
  700019.6860  0.2137 -4.8783 3 1286.0292193  72503 303961680      951679        s-trans-Propenoic acid
  700019.6871  0.2137 -5.4880 3 1286.0292193  72503 303961780      951679        s-trans-Propenoic acid
  700169.1301  0.0490 -5.1866 3  490.9011111  72503 303551639      541440        s-trans-Propenoic acid
  700180.3890  0.1145 -3.9351 3  430.0446 71  72503 3033532 3      3431 4        s-trans-Propenoic acid
  700180.3890  0.1145 -3.9351 3  430.0446 71  72503 3033532 4      3431 3        s-trans-Propenoic acid
  700331.9390  0.0574 -4.1433 3  476.5547 97  72503 303482523      472424        s-trans-Propenoic acid
  700331.9390  0.0574 -4.1433 3  476.5547 97  72503 303482524      472423        s-trans-Propenoic acid
  700357.2512  0.2771 -5.5623 3 1183.5524179  72503 303892268      882167        s-trans-Propenoic acid
  700405.6063  0.1872 -4.7463 3 1206.9138181  72503 303902269      892268        s-trans-Propenoic acid
  700592.2104  0.2111 -5.5021 3 1276.4493191  72503 303951778      941877        s-trans-Propenoic acid
  700592.2366  0.2111 -4.8635 3 1276.4493191  72503 303951878      941877        s-trans-Propenoic acid
  700592.2586  0.2111 -4.8635 3 1276.4493191  72503 303951778      941777        s-trans-Propenoic acid
  700592.2848  0.2111 -5.5021 3 1276.4493191  72503 303951878      941777        s-trans-Propenoic acid
  700595.1941  0.7706 -5.5565 3 1561.7794185  72503 303924448      914447        s-trans-Propenoic acid
  700595.1941  0.7706 -5.5565 3 1561.7794185  72503 303924449      914448        s-trans-Propenoic acid
  700712.3814  0.0561 -4.3072 3  523.8154109  72503 303542233      532132        s-trans-Propenoic acid
  700712.5173  0.0561 -4.3072 3  523.8154109  72503 303542232      532133        s-trans-Propenoic acid
  700732.6763  0.4202 -5.1401 3 1380.4491183  72503 303913556      903555        s-trans-Propenoic acid
  700732.6763  0.4202 -5.1401 3 1380.4491183  72503 303913557      903556        s-trans-Propenoic acid
  700790.9564  0.0536 -5.2083 3  476.1467109  72503 303541638      531439        s-trans-Propenoic acid
  700899.2538  0.0555 -4.1911 3  490.6481101  72503 303502426      492327        s-trans-Propenoic acid
  700899.2538  0.0555 -4.1911 3  490.6481101  72503 303502427      492326        s-trans-Propenoic acid
  700945.3317  0.2547 -4.9331 3 1287.7504181  72503 303903061      893060        s-trans-Propenoic acid
  700948.4750  0.2546 -4.9331 3 1287.7505181  72503 303903060      893059        s-trans-Propenoic acid
  701007.3787  0.1655 -4.8083 3 1230.0698179  72503 303892763      882762        s-trans-Propenoic acid
  701021.0969  0.0184 -5.5227 3  261.0606 71  72503 303351718      341519        s-trans-Propenoic acid
  701021.3116  0.0184 -5.5227 3  261.0606 71  72503 303351719      341520        s-trans-Propenoic acid
  701059.7254  0.0142 -5.3821 3  302.3826 81  72503 303401624      391425        s-trans-Propenoic acid
  701095.4606  0.0552 -4.2452 3  506.3829105  72503 303522330      512229        s-trans-Propenoic acid
  701095.4622  0.0552 -4.2452 3  506.3829105  72503 303522329      512230        s-trans-Propenoic acid
  701205.5480  0.0141 -5.3820 3  302.3777 81  72503 303401625      391426        s-trans-Propenoic acid
  701263.8210  0.7301 -5.5093 3 1542.2282185  72503 303924349      914348        s-trans-Propenoic acid
  701263.8210  0.7301 -5.5093 3 1542.2282185  72503 303924350      914349        s-trans-Propenoic acid
  701380.5455  0.2084 -5.5190 3 1266.1517189  72503 303941876      931975        s-trans-Propenoic acid
  701381.0755  0.2085 -4.8469 3 1266.1517189  72503 303941976      931975        s-trans-Propenoic acid
  701381.4943  0.2085 -4.8469 3 1266.1516189  72503 303941876      931875        s-trans-Propenoic acid
  701382.0243  0.2085 -5.5190 3 1266.1516189  72503 303941976      931875        s-trans-Propenoic acid
  701391.3939  0.0588 -4.8144 3  574.2211121  72503 303601743      591644        s-trans-Propenoic acid
  701414.5136  0.1024 -3.9575 3  433.8728 75  72503 3033731 6      3630 7        s-trans-Propenoic acid
  701414.5136  0.1024 -3.9575 3  433.8728 75  72503 3033731 7      3630 6        s-trans-Propenoic acid
  701646.1929  0.0659 -4.8720 3  537.2079117  72503 303581642      571543        s-trans-Propenoic acid
  701648.3321  0.1609 -4.8076 3 1230.1018179  72503 303892762      882761        s-trans-Propenoic acid
  701767.7301  0.2090 -4.7443 3 1206.7899181  72503 303902169      892168        s-trans-Propenoic acid
  701894.5882  0.1641 -4.7208 3 1192.9742179  72503 303892367      882366        s-trans-Propenoic acid
  701977.0692  0.6904 -5.4631 3 1523.1664185  72503 303924250      914249        s-trans-Propenoic acid
  701977.0692  0.6904 -5.4631 3 1523.1664185  72503 303924251      914250        s-trans-Propenoic acid
  702074.7365  0.3874 -5.1030 3 1365.4500183  72503 303913458      903457        s-trans-Propenoic acid
  702074.7371  0.3874 -5.1030 3 1365.4500183  72503 303913457      903456        s-trans-Propenoic acid
  702344.1703  0.0662 -4.4988 3  579.2953119  72503 303592040      581939        s-trans-Propenoic acid
  702478.4936  0.2058 -5.5402 3 1255.0806187  72503 303931974      922073        s-trans-Propenoic acid
  702487.5492  0.2061 -4.8282 3 1255.0806187  72503 303932074      922073        s-trans-Propenoic acid
  702494.2149  0.2063 -4.8282 3 1255.0801187  72503 303931974      921973        s-trans-Propenoic acid
  702503.2705  0.2066 -5.5401 3 1255.0801187  72503 303932074      921973        s-trans-Propenoic acid
  702629.6349  0.0916 -3.9826 3  439.2023 79  72503 3033930 9      382910        s-trans-Propenoic acid
  702629.6349  0.0916 -3.9826 3  439.2023 79  72503 303393010      3829 9        s-trans-Propenoic acid
  702740.5510  0.6515 -5.4182 3 1504.5976185  72503 303924151      914150        s-trans-Propenoic acid
  702740.5510  0.6515 -5.4182 3 1504.5976185  72503 303924152      914151        s-trans-Propenoic acid
  702849.4578  0.0655 -4.4983 3  579.2814119  72503 303592039      581940        s-trans-Propenoic acid
  703262.7569  0.2138 -4.6270 3 1145.0235175  72503 303872265      862264        s-trans-Propenoic acid
  703450.8013  0.2250 -4.9012 3 1275.6253181  72503 303902962      892961        s-trans-Propenoic acid
  703475.7443  0.2248 -4.9012 3 1275.6263181  72503 303902961      892960        s-trans-Propenoic acid
  703560.8563  0.6133 -5.3744 3 1486.5260185  72503 303924052      914051        s-trans-Propenoic acid
  703560.8563  0.6133 -5.3744 3 1486.5260185  72503 303924053      914052        s-trans-Propenoic acid
  703574.4224  0.3552 -5.0670 3 1351.0007183  72503 303913359      903358        s-trans-Propenoic acid
  703574.4290  0.3552 -5.0670 3 1351.0007183  72503 303913358      903357        s-trans-Propenoic acid
  703812.7426  0.0821 -4.0107 3  446.0420 83  72503 303412912      402813        s-trans-Propenoic acid
  703812.7426  0.0821 -4.0107 3  446.0420 83  72503 303412913      402812        s-trans-Propenoic acid
  704014.6115  0.0420 -5.1760 3  505.8667113  72503 303561640      551441        s-trans-Propenoic acid
  704067.0577  0.2041 -4.8070 3 1243.1572185  72503 303922172      912171        s-trans-Propenoic acid
  704153.6861  0.2060 -4.8069 3 1243.1500185  72503 303922072      912071        s-trans-Propenoic acid
  704333.5642  0.5111 -5.4709 3 1069.5802169  72503 303842263      832162        s-trans-Propenoic acid
  704445.7931  0.5759 -5.3318 3 1468.9563185  72503 303923953      913952        s-trans-Propenoic acid
  704445.7931  0.5759 -5.3318 3 1468.9563185  72503 303923954      913953        s-trans-Propenoic acid
  704455.6172  0.0187 -5.2608 3  375.6383 95  72503 303471533      461334        s-trans-Propenoic acid
  704554.2998  0.0545 -5.2332 3  461.6381107  72503 303531637      521438        s-trans-Propenoic acid
  704573.1886  0.1435 -4.7797 3 1219.9916179  72503 303892664      882663        s-trans-Propenoic acid
  704769.9587  0.2626 -4.9879 3 1371.4071215  72503 303A7 6A1      A6 6A0        s-trans-Propenoic acid
  704769.9587  0.2626 -5.4261 3 1371.4071215  72503 303A7 6A1      A6 7A0        s-trans-Propenoic acid
  704769.9587  0.2626 -5.4261 3 1371.4071215  72503 303A7 7A1      A6 6A0        s-trans-Propenoic acid
  704769.9587  0.2626 -4.9879 3 1371.4071215  72503 303A7 7A1      A6 7A0        s-trans-Propenoic acid
  704772.1533  0.2780 -4.9888 3 1374.5404217  72503 303A8 5A3      A7 5A2        s-trans-Propenoic acid
  704772.1533  0.2780 -5.4162 3 1374.5404217  72503 303A8 5A3      A7 6A2        s-trans-Propenoic acid
  704772.1533  0.2780 -5.4162 3 1374.5404217  72503 303A8 6A3      A7 5A2        s-trans-Propenoic acid
  704772.1533  0.2780 -4.9888 3 1374.5404217  72503 303A8 6A3      A7 6A2        s-trans-Propenoic acid
  704774.9378  0.2520 -4.9859 3 1367.7401213  72503 303A6 799      A5 798        s-trans-Propenoic acid
  704774.9378  0.2520 -5.4356 3 1367.7401213  72503 303A6 799      A5 898        s-trans-Propenoic acid
  704774.9378  0.2520 -5.4356 3 1367.7401213  72503 303A6 899      A5 798        s-trans-Propenoic acid
  704774.9378  0.2520 -4.9859 3 1367.7401213  72503 303A6 899      A5 898        s-trans-Propenoic acid
  704778.7538  0.2993 -4.9886 3 1377.1449219  72503 303A9 4A5      A8 4A4        s-trans-Propenoic acid
  704778.7538  0.2993 -5.4059 3 1377.1449219  72503 303A9 4A5      A8 5A4        s-trans-Propenoic acid
  704778.7538  0.2993 -5.4059 3 1377.1449219  72503 303A9 5A5      A8 4A4        s-trans-Propenoic acid
  704778.7538  0.2993 -4.9886 3 1377.1449219  72503 303A9 5A5      A8 5A4        s-trans-Propenoic acid
  704787.4683  0.3278 -4.9873 3 1379.2248221  72503 303B0 3A7      A9 3A6        s-trans-Propenoic acid
  704787.4683  0.3278 -5.3951 3 1379.2248221  72503 303B0 3A7      A9 4A6        s-trans-Propenoic acid
  704787.4683  0.3278 -5.3951 3 1379.2248221  72503 303B0 4A7      A9 3A6        s-trans-Propenoic acid
  704787.4683  0.3278 -4.9873 3 1379.2248221  72503 303B0 4A7      A9 4A6        s-trans-Propenoic acid
  704790.4637  0.2450 -4.9829 3 1363.5338211  72503 303A5 897      A4 896        s-trans-Propenoic acid
  704790.4637  0.2450 -5.4448 3 1363.5338211  72503 303A5 897      A4 996        s-trans-Propenoic acid
  704790.4637  0.2450 -5.4448 3 1363.5338211  72503 303A5 997      A4 896        s-trans-Propenoic acid
  704790.4637  0.2450 -4.9829 3 1363.5338211  72503 303A5 997      A4 996        s-trans-Propenoic acid
  704796.3824  0.3643 -4.9850 3 1380.7837223  72503 303B1 2A9      B0 2A8        s-trans-Propenoic acid
  704796.3824  0.3643 -5.3837 3 1380.7837223  72503 303B1 2A9      B0 3A8        s-trans-Propenoic acid
  704796.3824  0.3643 -5.3837 3 1380.7837223  72503 303B1 3A9      B0 2A8        s-trans-Propenoic acid
  704796.3824  0.3643 -4.9850 3 1380.7837223  72503 303B1 3A9      B0 3A8        s-trans-Propenoic acid
  704801.2887  0.0212 -5.1440 3  357.4861 93  72503 303461433      451134        s-trans-Propenoic acid
  704803.8842  0.4098 -4.9817 3 1381.8246225  72503 303B2 1B1      B1 1B0        s-trans-Propenoic acid
  704803.8842  0.4098 -5.3719 3 1381.8246225  72503 303B2 1B1      B1 2B0        s-trans-Propenoic acid
  704803.8842  0.4098 -5.3719 3 1381.8246225  72503 303B2 2B1      B1 1B0        s-trans-Propenoic acid
  704803.8842  0.4098 -4.9817 3 1381.8246225  72503 303B2 2B1      B1 2B0        s-trans-Propenoic acid
  704808.6056  0.4650 -4.9774 3 1382.3504227  72503 303B3 0B3      B2 0B2        s-trans-Propenoic acid
  704808.6056  0.4650 -5.3594 3 1382.3504227  72503 303B3 0B3      B2 1B2        s-trans-Propenoic acid
  704808.6056  0.4650 -5.3594 3 1382.3504227  72503 303B3 1B3      B2 0B2        s-trans-Propenoic acid
  704808.6056  0.4650 -4.9774 3 1382.3504227  72503 303B3 1B3      B2 1B2        s-trans-Propenoic acid
  704820.6879  0.2404 -4.9787 3 1358.7817209  72503 303A4 995      A3 994        s-trans-Propenoic acid
  704820.6879  0.2404 -5.4537 3 1358.7817209  72503 303A4 995      A31094        s-trans-Propenoic acid
  704820.6879  0.2404 -5.4537 3 1358.7817209  72503 303A41095      A3 994        s-trans-Propenoic acid
  704820.6879  0.2404 -4.9787 3 1358.7817209  72503 303A41095      A31094        s-trans-Propenoic acid
  704870.7756  0.2374 -4.9733 3 1353.4763207  72503 303A31093      A21092        s-trans-Propenoic acid
  704870.7756  0.2374 -5.4625 3 1353.4763207  72503 303A31093      A21192        s-trans-Propenoic acid
  704870.7756  0.2374 -5.4625 3 1353.4763207  72503 303A31193      A21092        s-trans-Propenoic acid
  704870.7756  0.2374 -4.9733 3 1353.4763207  72503 303A31193      A21192        s-trans-Propenoic acid
  704944.9240  0.0740 -4.0420 3  454.4034 87  72503 303432815      422716        s-trans-Propenoic acid
  704944.9240  0.0740 -4.0420 3  454.4034 87  72503 303432816      422715        s-trans-Propenoic acid
  704947.2315  0.2352 -4.9668 3 1347.6085205  72503 303A21191      A11190        s-trans-Propenoic acid
  704947.2315  0.2352 -5.4713 3 1347.6085205  72503 303A21191      A11290        s-trans-Propenoic acid
  704947.2315  0.2352 -5.4713 3 1347.6085205  72503 303A21291      A11190        s-trans-Propenoic acid
  704947.2315  0.2352 -4.9668 3 1347.6085205  72503 303A21291      A11290        s-trans-Propenoic acid
  705058.3615  0.2335 -4.9591 3 1341.1678203  72503 303A11289      A01288        s-trans-Propenoic acid
  705058.3615  0.2335 -5.4801 3 1341.1678203  72503 303A11289      A01388        s-trans-Propenoic acid
  705058.3615  0.2335 -5.4801 3 1341.1678203  72503 303A11389      A01288        s-trans-Propenoic acid
  705058.3615  0.2335 -4.9591 3 1341.1678203  72503 303A11389      A01388        s-trans-Propenoic acid
  705190.0844  0.4579 -5.2644 3  911.6662155  72503 303772157      762056        s-trans-Propenoic acid
  705214.9423  0.2317 -4.9501 3 1334.1416201  72503 303A01387      991386        s-trans-Propenoic acid
  705214.9423  0.2317 -5.4892 3 1334.1416201  72503 303A01387      991486        s-trans-Propenoic acid
  705214.9423  0.2317 -5.4892 3 1334.1416201  72503 303A01487      991386        s-trans-Propenoic acid
  705214.9423  0.2317 -4.9501 3 1334.1416201  72503 303A01487      991486        s-trans-Propenoic acid
  705267.1268  0.3234 -5.0322 3 1337.1170183  72503 303913260      903259        s-trans-Propenoic acid
  705267.1962  0.3234 -5.0322 3 1337.1170183  72503 303913259      903258        s-trans-Propenoic acid
  705404.7074  0.5391 -5.2903 3 1451.8941185  72503 303923854      913853        s-trans-Propenoic acid
  705404.7074  0.5391 -5.2903 3 1451.8941185  72503 303923855      913854        s-trans-Propenoic acid
  705431.2224  0.2298 -4.9398 3 1326.5146199  72503 303991485      981484        s-trans-Propenoic acid
  705431.2224  0.2298 -5.4988 3 1326.5146199  72503 303991485      981584        s-trans-Propenoic acid
  705431.2224  0.2298 -5.4988 3 1326.5146199  72503 303991585      981484        s-trans-Propenoic acid
  705431.2224  0.2298 -4.9398 3 1326.5146199  72503 303991585      981584        s-trans-Propenoic acid
  705726.4744  0.2276 -4.9281 3 1318.2683197  72503 303981583      971582        s-trans-Propenoic acid
  705726.4744  0.2276 -5.5092 3 1318.2683197  72503 303981583      971682        s-trans-Propenoic acid
  705726.4744  0.2276 -5.5092 3 1318.2683197  72503 303981683      971582        s-trans-Propenoic acid
  705726.4744  0.2276 -4.9281 3 1318.2683197  72503 303981683      971682        s-trans-Propenoic acid
  705958.6951  0.0220 -5.2224 3  345.3697 91  72503 303451432      441133        s-trans-Propenoic acid
  705998.7202  0.0676 -4.0771 3  464.3008 91  72503 303452718      442619        s-trans-Propenoic acid
  705998.7202  0.0676 -4.0771 3  464.3008 91  72503 303452719      442618        s-trans-Propenoic acid
  706097.3524  0.0626 -4.4052 3  557.5322115  72503 303572137      562036        s-trans-Propenoic acid
  706112.5541  0.0626 -4.4052 3  557.5318115  72503 303572136      562037        s-trans-Propenoic acid
  706127.5045  0.2252 -5.5207 3 1309.3794195  72503 303971681      961780        s-trans-Propenoic acid
  706127.5050  0.2252 -4.9149 3 1309.3794195  72503 303971781      961780        s-trans-Propenoic acid
  706127.5056  0.2252 -4.9149 3 1309.3794195  72503 303971681      961680        s-trans-Propenoic acid
  706127.5061  0.2252 -5.5207 3 1309.3794195  72503 303971781      961680        s-trans-Propenoic acid
  706213.3267  0.1995 -4.7831 3 1230.2768183  72503 303912270      902269        s-trans-Propenoic acid
  706249.1569  0.0098 -5.0216 3  341.3087 93  72503 303461036      45 937        s-trans-Propenoic acid
  706317.3233  0.0148 -5.3653 3  312.7732 83  72503 303411625      401426        s-trans-Propenoic acid
  706332.5480  0.0098 -5.3842 3  341.3059 93  72503 303461036      45 837        s-trans-Propenoic acid
  706437.5089  0.1958 -4.8703 3 1264.1755181  72503 303902863      892862        s-trans-Propenoic acid
  706448.9200  0.5031 -5.2500 3 1435.3458185  72503 303923755      913754        s-trans-Propenoic acid
  706448.9200  0.5031 -5.2500 3 1435.3458185  72503 303923756      913755        s-trans-Propenoic acid
  706452.5766  0.1274 -3.9246 3  436.0199 69  72503 3033433 1      3332 2        s-trans-Propenoic acid
  706452.5766  0.1274 -3.9246 3  436.0199 69  72503 3033433 2      3332 1        s-trans-Propenoic acid
  706460.2036  0.0959 -4.5892 3 1127.3857173  72503 303862363      852362        s-trans-Propenoic acid
  706538.5987  0.1427 -4.7345 3 1201.7871179  72503 303892466      882465        s-trans-Propenoic acid
  706551.5811  0.0067 -5.4777 3  255.8227 83  72503 30341 536      40 437        s-trans-Propenoic acid
  706551.9252  0.0067 -5.4777 3  255.8227 83  72503 30341 636      40 337        s-trans-Propenoic acid
  706599.8840  0.0147 -5.3650 3  312.7636 83  72503 303411626      401427        s-trans-Propenoic acid
  706611.0917  0.1942 -4.8701 3 1264.1835181  72503 303902862      892861        s-trans-Propenoic acid
  706621.4159  0.0124 -5.2850 3  377.0094 97  72503 303481336      471137        s-trans-Propenoic acid
  706672.9268  0.2225 -5.5340 3 1299.8186193  72503 303961779      951878        s-trans-Propenoic acid
  706672.9410  0.2225 -4.9001 3 1299.8186193  72503 303961879      951878        s-trans-Propenoic acid
  706672.9531  0.2225 -4.9001 3 1299.8186193  72503 303961779      951778        s-trans-Propenoic acid
  706672.9673  0.2225 -5.5340 3 1299.8186193  72503 303961879      951778        s-trans-Propenoic acid
  706840.7809  0.2365 -4.6674 3 1168.4818177  72503 303882266      872265        s-trans-Propenoic acid
  706934.0449  0.0628 -4.1163 3  475.7526 95  72503 303472621      462522        s-trans-Propenoic acid
  706934.0449  0.0628 -4.1163 3  475.7526 95  72503 303472622      462521        s-trans-Propenoic acid
  707008.3222  0.0201 -5.0798 3  369.7688 95  72503 303471434      461135        s-trans-Propenoic acid
  707092.6007  0.2151 -4.7818 3 1230.1984183  72503 303912170      902169        s-trans-Propenoic acid
  707114.2200  0.0103 -5.3278 3  359.0750 95  72503 303471236      461037        s-trans-Propenoic acid
  707115.5458  0.1330 -4.7543 3 1210.6407179  72503 303892565      882564        s-trans-Propenoic acid
  707201.5313  0.2919 -4.9984 3 1323.8186183  72503 303913161      903160        s-trans-Propenoic acid
  707202.1942  0.2919 -4.9984 3 1323.8186183  72503 303913160      903159        s-trans-Propenoic acid
  707420.7086  0.2198 -5.5498 3 1289.5472191  72503 303951877      941976        s-trans-Propenoic acid
  707421.0033  0.2198 -4.8836 3 1289.5472191  72503 303951977      941976        s-trans-Propenoic acid
  707421.2387  0.2198 -4.8836 3 1289.5472191  72503 303951877      941876        s-trans-Propenoic acid
  707421.3603  0.1333 -4.7117 3 1187.9340177  72503 303882563      872562        s-trans-Propenoic acid
  707421.5333  0.2198 -5.5498 3 1289.5472191  72503 303951977      941876        s-trans-Propenoic acid
  707573.4128  0.0182 -5.4972 3  270.0386 73  72503 303361719      351520        s-trans-Propenoic acid
  707573.9318  0.0182 -5.4972 3  270.0386 73  72503 303361720      351521        s-trans-Propenoic acid
  707583.7669  0.0102 -4.9805 3  359.0594 95  72503 303471236      46 937        s-trans-Propenoic acid
  707592.3347  0.4678 -5.2108 3 1419.3191185  72503 303923657      913656        s-trans-Propenoic acid
  707592.3348  0.4678 -5.2108 3 1419.3191185  72503 303923656      913655        s-trans-Propenoic acid
  707665.8131  0.0667 -4.6631 3  619.2216125  72503 303621943      611844        s-trans-Propenoic acid
  707691.6240  0.0599 -4.1601 3  488.7828 99  72503 303492524      482425        s-trans-Propenoic acid
  707691.6240  0.0599 -4.1601 3  488.7828 99  72503 303492525      482424        s-trans-Propenoic acid
  707694.1957  0.1143 -3.9452 3  438.8651 73  72503 3033632 4      3531 5        s-trans-Propenoic acid
  707694.1957  0.1143 -3.9452 3  438.8651 73  72503 3033632 5      3531 4        s-trans-Propenoic acid
  707709.8224  0.0602 -4.3295 3  537.7228111  72503 303552234      542133        s-trans-Propenoic acid
  707710.1195  0.0602 -4.3295 3  537.7228111  72503 303552233      542134        s-trans-Propenoic acid
  707849.1645  0.1337 -4.7761 3 1220.1808179  72503 303892663      882662        s-trans-Propenoic acid
  708104.3898  0.1801 -4.7571 3 1216.3869181  72503 303902368      892367        s-trans-Propenoic acid
  708181.8896  0.0586 -4.2094 3  503.4230103  72503 303512428      502327        s-trans-Propenoic acid
  708181.8897  0.0586 -4.2094 3  503.4230103  72503 303512427      502328        s-trans-Propenoic acid
  708212.3796  0.0718 -4.5303 3  594.7280121  72503 303602041      591940        s-trans-Propenoic acid
  708264.8410  0.0588 -4.2653 3  519.7162107  72503 303532331      522230        s-trans-Propenoic acid
  708264.8449  0.0588 -4.2653 3  519.7162107  72503 303532330      522231        s-trans-Propenoic acid
  708463.9608  0.2173 -4.8650 3 1278.5131189  72503 303942075      932074        s-trans-Propenoic acid
  708467.8304  0.2174 -4.8650 3 1278.5128189  72503 303941975      931974        s-trans-Propenoic acid
  708482.5420  0.0639 -4.9278 3  501.4665113  72503 303561541      551442        s-trans-Propenoic acid
  708852.3093  0.4331 -5.1727 3 1403.8230185  72503 303923558      913557        s-trans-Propenoic acid
  708852.3094  0.4331 -5.1727 3 1403.8230185  72503 303923557      913556        s-trans-Propenoic acid
  708866.5329  0.0122 -4.9655 3  376.9345 97  72503 303481336      471037        s-trans-Propenoic acid
  708923.3013  0.1024 -3.9683 3  443.2065 77  72503 3033831 7      3730 8        s-trans-Propenoic acid
  708923.3013  0.1024 -3.9683 3  443.2065 77  72503 3033831 8      3730 7        s-trans-Propenoic acid
  708961.2364  0.1317 -4.6465 3 1156.9981175  72503 303872463      862462        s-trans-Propenoic acid
  709118.7248  0.0706 -4.5293 3  594.7034121  72503 303602040      591941        s-trans-Propenoic acid
  709121.0047  0.7546 -5.5413 3 1565.6198187  72503 303934350      924349        s-trans-Propenoic acid
  709121.0047  0.7546 -5.5413 3 1565.6198187  72503 303934351      924350        s-trans-Propenoic acid
  709446.5534  0.2607 -4.9656 3 1311.1314183  72503 303913062      903061        s-trans-Propenoic acid
  709452.2480  0.2606 -4.9656 3 1311.1317183  72503 303913061      903060        s-trans-Propenoic acid
  709858.1380  0.7134 -5.4953 3 1546.5818187  72503 303934251      924250        s-trans-Propenoic acid
  709858.1380  0.7134 -5.4953 3 1546.5818187  72503 303934252      924251        s-trans-Propenoic acid
  709898.9970  0.0062 -5.3366 3  272.4052 85  72503 30342 636      41 537        s-trans-Propenoic acid
  709902.1137  0.0062 -5.3366 3  272.4052 85  72503 30342 736      41 437        s-trans-Propenoic acid
  709904.1077  0.0083 -5.3810 3  341.3087 93  72503 303461136      45 937        s-trans-Propenoic acid
  709921.7637  0.1686 -4.8405 3 1253.4529181  72503 303902764      892763        s-trans-Propenoic acid
  709947.3130  0.2152 -4.8441 3 1266.6423187  72503 303932173      922172        s-trans-Propenoic acid
  709975.6826  0.2638 -5.0021 3  766.8119141  72503 303702051      691950        s-trans-Propenoic acid
  709987.4988  0.0083 -5.0185 3  341.3059 93  72503 303461136      45 837        s-trans-Propenoic acid
  709999.6257  0.2165 -4.8440 3 1266.6380187  72503 303932073      922072        s-trans-Propenoic acid
  710016.3717  0.0522 -5.2552 3  447.4101105  72503 303521636      511437        s-trans-Propenoic acid
  710018.2590  0.0221 -5.3094 3  333.4378 89  72503 303441431      431132        s-trans-Propenoic acid
  710037.3265  0.0544 -4.7733 3  612.5454125  72503 303621844      611745        s-trans-Propenoic acid
  710130.0834  0.0918 -3.9943 3  449.0517 81  72503 303403010      392911        s-trans-Propenoic acid
  710130.0834  0.0918 -3.9943 3  449.0517 81  72503 303403011      392910        s-trans-Propenoic acid
  710250.9433  0.3990 -5.1357 3 1388.8687185  72503 303923459      913458        s-trans-Propenoic acid
  710250.9444  0.3990 -5.1357 3 1388.8687185  72503 303923458      913457        s-trans-Propenoic acid
  710430.3169  0.2492 -4.7078 3 1192.0595179  72503 303892267      882266        s-trans-Propenoic acid
  710647.7090  0.6730 -5.4506 3 1528.0385187  72503 303934152      924151        s-trans-Propenoic acid
  710647.7091  0.6730 -5.4506 3 1528.0385187  72503 303934153      924152        s-trans-Propenoic acid
  710939.9429  0.2765 -5.0254 3 1394.9157217  72503 303A8 6A2      A7 6A1        s-trans-Propenoic acid
  710939.9429  0.2765 -5.4629 3 1394.9157217  72503 303A8 6A2      A7 7A1        s-trans-Propenoic acid
  710939.9429  0.2765 -5.4629 3 1394.9157217  72503 303A8 7A2      A7 6A1        s-trans-Propenoic acid
  710939.9429  0.2765 -5.0254 3 1394.9157217  72503 303A8 7A2      A7 7A1        s-trans-Propenoic acid
  710942.7893  0.2928 -5.0263 3 1398.0491219  72503 303A9 5A4      A8 5A3        s-trans-Propenoic acid
  710942.7893  0.2928 -5.4532 3 1398.0491219  72503 303A9 5A4      A8 6A3        s-trans-Propenoic acid
  710942.7893  0.2928 -5.4532 3 1398.0491219  72503 303A9 6A4      A8 5A3        s-trans-Propenoic acid
  710942.7893  0.2928 -5.0263 3 1398.0491219  72503 303A9 6A4      A8 6A3        s-trans-Propenoic acid
  710943.9832  0.2653 -5.0233 3 1391.2488215  72503 303A7 7A0      A6 799        s-trans-Propenoic acid
  710943.9832  0.2653 -5.4722 3 1391.2488215  72503 303A7 7A0      A6 899        s-trans-Propenoic acid
  710943.9832  0.2653 -5.4722 3 1391.2488215  72503 303A7 8A0      A6 799        s-trans-Propenoic acid
  710943.9832  0.2653 -5.0233 3 1391.2488215  72503 303A7 8A0      A6 899        s-trans-Propenoic acid
  710949.8259  0.3152 -5.0262 3 1400.6538221  72503 303B0 4A6      A9 4A5        s-trans-Propenoic acid
  710949.8259  0.3152 -5.4431 3 1400.6538221  72503 303B0 4A6      A9 5A5        s-trans-Propenoic acid
  710949.8259  0.3152 -5.4431 3 1400.6538221  72503 303B0 5A6      A9 4A5        s-trans-Propenoic acid
  710949.8259  0.3152 -5.0262 3 1400.6538221  72503 303B0 5A6      A9 5A5        s-trans-Propenoic acid
  710951.7697  0.1617 -4.8393 3 1253.5063181  72503 303902763      892762        s-trans-Propenoic acid
  710958.1877  0.2577 -5.0202 3 1387.0431213  72503 303A6 898      A5 897        s-trans-Propenoic acid
  710958.1877  0.2577 -5.4812 3 1387.0431213  72503 303A6 898      A5 997        s-trans-Propenoic acid
  710958.1877  0.2577 -5.4812 3 1387.0431213  72503 303A6 998      A5 897        s-trans-Propenoic acid
  710958.1877  0.2577 -5.0202 3 1387.0431213  72503 303A6 998      A5 997        s-trans-Propenoic acid
  710958.8143  0.3451 -5.0250 3 1402.7340223  72503 303B1 3A8      B0 3A7        s-trans-Propenoic acid
  710958.8143  0.3451 -5.4324 3 1402.7340223  72503 303B1 3A8      B0 4A7        s-trans-Propenoic acid
  710958.8143  0.3451 -5.4324 3 1402.7340223  72503 303B1 4A8      B0 3A7        s-trans-Propenoic acid
  710958.8143  0.3451 -5.0250 3 1402.7340223  72503 303B1 4A8      B0 4A7        s-trans-Propenoic acid
  710967.8806  0.3833 -5.0227 3 1404.2931225  72503 303B2 2B0      B1 2A9        s-trans-Propenoic acid
  710967.8806  0.3833 -5.4212 3 1404.2931225  72503 303B2 2B0      B1 3A9        s-trans-Propenoic acid
  710967.8806  0.3833 -5.4212 3 1404.2931225  72503 303B2 3B0      B1 2A9        s-trans-Propenoic acid
  710967.8806  0.3833 -5.0227 3 1404.2931225  72503 303B2 3B0      B1 3A9        s-trans-Propenoic acid
  710975.4432  0.4307 -5.0194 3 1405.3344227  72503 303B3 1B2      B2 1B1        s-trans-Propenoic acid
  710975.4432  0.4307 -5.4095 3 1405.3344227  72503 303B3 1B2      B2 2B1        s-trans-Propenoic acid
  710975.4432  0.4307 -5.4095 3 1405.3344227  72503 303B3 2B2      B2 1B1        s-trans-Propenoic acid
  710975.4432  0.4307 -5.0194 3 1405.3344227  72503 303B3 2B2      B2 2B1        s-trans-Propenoic acid
  710980.1567  0.4880 -5.0151 3 1405.8603229  72503 303B4 0B4      B3 0B3        s-trans-Propenoic acid
  710980.1567  0.4880 -5.3971 3 1405.8603229  72503 303B4 0B4      B3 1B3        s-trans-Propenoic acid
  710980.1567  0.4880 -5.3971 3 1405.8603229  72503 303B4 1B4      B3 0B3        s-trans-Propenoic acid
  710980.1567  0.4880 -5.0151 3 1405.8603229  72503 303B4 1B4      B3 1B3        s-trans-Propenoic acid
  710986.5790  0.2528 -5.0160 3 1382.2920211  72503 303A5 996      A4 995        s-trans-Propenoic acid
  710986.5790  0.2528 -5.4899 3 1382.2920211  72503 303A5 996      A41095        s-trans-Propenoic acid
  710986.5790  0.2528 -5.4899 3 1382.2920211  72503 303A51096      A4 995        s-trans-Propenoic acid
  710986.5790  0.2528 -5.0160 3 1382.2920211  72503 303A51096      A41095        s-trans-Propenoic acid
  711034.1470  0.2496 -5.0106 3 1376.9882209  72503 303A41094      A31093        s-trans-Propenoic acid
  711034.1470  0.2496 -5.4984 3 1376.9882209  72503 303A41094      A31193        s-trans-Propenoic acid
  711034.1470  0.2496 -5.4984 3 1376.9882209  72503 303A41194      A31093        s-trans-Propenoic acid
  711034.1470  0.2496 -5.0106 3 1376.9882209  72503 303A41194      A31193        s-trans-Propenoic acid
  711107.1552  0.2473 -5.0040 3 1371.1230207  72503 303A31192      A21191        s-trans-Propenoic acid
  711107.1552  0.2473 -5.5069 3 1371.1230207  72503 303A31192      A21291        s-trans-Propenoic acid
  711107.1552  0.2473 -5.5069 3 1371.1230207  72503 303A31292      A21191        s-trans-Propenoic acid
  711107.1552  0.2473 -5.0040 3 1371.1230207  72503 303A31292      A21291        s-trans-Propenoic acid
  711213.5717  0.2455 -4.9963 3 1364.6860205  72503 303A21290      A11289        s-trans-Propenoic acid
  711213.5717  0.2455 -5.5154 3 1364.6860205  72503 303A21290      A11389        s-trans-Propenoic acid
  711213.5717  0.2455 -5.5154 3 1364.6860205  72503 303A21390      A11289        s-trans-Propenoic acid
  711213.5717  0.2455 -4.9963 3 1364.6860205  72503 303A21390      A11389        s-trans-Propenoic acid
  711249.0179  0.0156 -5.3500 3  323.4478 85  72503 303421626      411427        s-trans-Propenoic acid
  711300.2637  0.0827 -4.0233 3  456.4103 85  72503 303422913      412814        s-trans-Propenoic acid
  711300.2637  0.0827 -4.0233 3  456.4103 85  72503 303422914      412813        s-trans-Propenoic acid
  711363.6921  0.2437 -4.9872 3 1357.6650203  72503 303A11388      A01387        s-trans-Propenoic acid
  711363.6921  0.2437 -5.5242 3 1357.6650203  72503 303A11388      A01487        s-trans-Propenoic acid
  711363.6921  0.2437 -5.5242 3 1357.6650203  72503 303A11488      A01387        s-trans-Propenoic acid
  711363.6921  0.2437 -4.9872 3 1357.6650203  72503 303A11488      A01487        s-trans-Propenoic acid
  711387.4253  0.0071 -5.0726 3  323.7346 91  72503 30345 936      44 837        s-trans-Propenoic acid
  711400.0460  0.0071 -5.4450 3  323.7342 91  72503 30345 936      44 737        s-trans-Propenoic acid
  711496.2895  0.0199 -5.2554 3  387.9858 97  72503 303481534      471335        s-trans-Propenoic acid
  711496.6613  0.6334 -5.4070 3 1509.9942187  72503 303934053      924052        s-trans-Propenoic acid
  711496.6613  0.6334 -5.4070 3 1509.9942187  72503 303934054      924053        s-trans-Propenoic acid
  711571.0639  0.2418 -4.9769 3 1350.0452201  72503 303A01486      991485        s-trans-Propenoic acid
  711571.0639  0.2418 -5.5333 3 1350.0452201  72503 303A01486      991585        s-trans-Propenoic acid
  711571.0639  0.2418 -5.5333 3 1350.0452201  72503 303A01586      991485        s-trans-Propenoic acid
  711571.0639  0.2418 -4.9769 3 1350.0452201  72503 303A01586      991585        s-trans-Propenoic acid
  711782.0903  0.0155 -5.3495 3  323.4297 85  72503 303421627      411428        s-trans-Propenoic acid
  711817.0542  0.3654 -5.0999 3 1374.4694185  72503 303923360      913359        s-trans-Propenoic acid
  711817.0673  0.3654 -5.0999 3 1374.4694185  72503 303923359      913358        s-trans-Propenoic acid
  711853.9067  0.2396 -4.9652 3 1341.8088199  72503 303991584      981583        s-trans-Propenoic acid
  711853.9067  0.2396 -5.5432 3 1341.8088199  72503 303991584      981683        s-trans-Propenoic acid
  711853.9067  0.2396 -5.5432 3 1341.8088199  72503 303991684      981583        s-trans-Propenoic acid
  711853.9067  0.2396 -4.9652 3 1341.8088199  72503 303991684      981683        s-trans-Propenoic acid
  712009.6867  0.2117 -4.8204 3 1253.8335185  72503 303922271      912270        s-trans-Propenoic acid
  712088.1223  0.0060 -5.2270 3  289.2624 87  72503 30343 736      42 637        s-trans-Propenoic acid
  712097.8382  0.2296 -4.9338 3 1299.0899183  72503 303912963      902962        s-trans-Propenoic acid
  712111.6771  0.0060 -5.2270 3  289.2624 87  72503 30343 836      42 537        s-trans-Propenoic acid
  712141.3101  0.2292 -4.9338 3 1299.0918183  72503 303912962      902961        s-trans-Propenoic acid
  712191.4242  0.0068 -5.4442 3  323.7346 91  72503 303451036      44 837        s-trans-Propenoic acid
  712204.0448  0.0068 -5.0718 3  323.7342 91  72503 303451036      44 737        s-trans-Propenoic acid
  712237.3877  0.2371 -4.9520 3 1332.9333197  72503 303981782      971781        s-trans-Propenoic acid
  712237.3880  0.2371 -4.9520 3 1332.9333197  72503 303981682      971681        s-trans-Propenoic acid
  712319.1298  0.5628 -5.4515 3 1047.1711167  72503 303832262      822161        s-trans-Propenoic acid
  712413.1869  0.0751 -4.0557 3  465.2942 89  72503 303442816      432717        s-trans-Propenoic acid
  712413.1869  0.0751 -4.0557 3  465.2942 89  72503 303442817      432716        s-trans-Propenoic acid
  712413.2415  0.5945 -5.3645 3 1492.4541187  72503 303933954      923953        s-trans-Propenoic acid
  712413.2415  0.5945 -5.3645 3 1492.4541187  72503 303933955      923954        s-trans-Propenoic acid
  712569.5224  0.2227 -4.8196 3 1253.7845185  72503 303922171      912170        s-trans-Propenoic acid
  712695.2709  0.0189 -5.0322 3  382.2095 97  72503 303481435      471136        s-trans-Propenoic acid
  712731.1375  0.0674 -4.4316 3  572.3156117  72503 303582138      572037        s-trans-Propenoic acid
  712739.4921  0.0156 -5.2582 3  395.1068 99  72503 303491436      481237        s-trans-Propenoic acid
  712757.4588  0.2344 -4.9373 3 1323.3906195  72503 303971880      961879        s-trans-Propenoic acid
  712757.4653  0.2344 -4.9373 3 1323.3906195  72503 303971780      961779        s-trans-Propenoic acid
  712760.9954  0.0674 -4.4315 3  572.3148117  72503 303582137      572038        s-trans-Propenoic acid
  712799.5646  0.0061 -5.1405 3  306.3784 89  72503 30344 836      43 737        s-trans-Propenoic acid
  712801.1826  0.0061 -5.5200 3  306.3784 89  72503 30344 836      43 637        s-trans-Propenoic acid
  712948.4400  0.0061 -5.5198 3  306.3784 89  72503 30344 936      43 737        s-trans-Propenoic acid
  712950.0580  0.0061 -5.1404 3  306.3784 89  72503 30344 936      43 637        s-trans-Propenoic acid
  713279.8915  0.0379 -5.1824 3  521.0130115  72503 303571641      561442        s-trans-Propenoic acid
  713407.3491  0.5564 -5.3232 3 1475.4238187  72503 303933855      923854        s-trans-Propenoic acid
  713407.3491  0.5564 -5.3232 3 1475.4238187  72503 303933856      923855        s-trans-Propenoic acid
  713418.3255  0.1479 -4.8124 3 1243.4936181  72503 303902665      892664        s-trans-Propenoic acid
  713438.9517  0.0691 -4.0919 3  475.7187 93  72503 303462719      452620        s-trans-Propenoic acid
  713438.9517  0.0691 -4.0919 3  475.7187 93  72503 303462720      452619        s-trans-Propenoic acid
  713467.7267  0.2316 -4.9208 3 1313.1443193  72503 303961978      951977        s-trans-Propenoic acid
  713467.8583  0.2316 -4.9208 3 1313.1442193  72503 303961878      951877        s-trans-Propenoic acid
  713589.3297  0.3322 -5.0652 3 1360.6421185  72503 303923261      913260        s-trans-Propenoic acid
  713589.4629  0.3322 -5.0652 3 1360.6422185  72503 303923260      913259        s-trans-Propenoic acid
  713681.6991  0.1584 -4.7699 3 1225.3547181  72503 303902467      892466        s-trans-Propenoic acid
  713760.6581  0.0782 -4.5637 3  610.4567123  72503 303612042      601941        s-trans-Propenoic acid
  713967.4565  0.1271 -3.9345 3  444.5831 71  72503 3033533 2      3432 3        s-trans-Propenoic acid
  713967.4565  0.1271 -3.9345 3  444.5831 71  72503 3033533 3      3432 2        s-trans-Propenoic acid
  714014.5010  0.0180 -5.4736 3  279.2854 75  72503 303371720      361521        s-trans-Propenoic acid
  714015.7161  0.0180 -5.4736 3  279.2853 75  72503 303371721      361522        s-trans-Propenoic acid
  714154.6430  0.1962 -4.7943 3 1240.0067183  72503 303912369      902368        s-trans-Propenoic acid
  714271.6345  0.2550 -4.7480 3 1215.7569181  72503 303902268      892267        s-trans-Propenoic acid
  714333.9568  0.0650 -4.1324 3  487.7033 97  72503 303482622      472523        s-trans-Propenoic acid
  714333.9568  0.0650 -4.1324 3  487.7033 97  72503 303482623      472522        s-trans-Propenoic acid
  714452.2744  0.2289 -4.9024 3 1302.1449191  72503 303952076      942075        s-trans-Propenoic acid
  714454.5068  0.2290 -4.9024 3 1302.1448191  72503 303951976      941975        s-trans-Propenoic acid
  714491.0154  0.5189 -5.2830 3 1458.9104187  72503 303933756      923755        s-trans-Propenoic acid
  714491.0154  0.5189 -5.2830 3 1458.9104187  72503 303933757      923756        s-trans-Propenoic acid
  714491.3652  0.1138 -4.6233 3 1150.9506175  72503 303872364      862363        s-trans-Propenoic acid
  714657.1718  0.0647 -4.3528 3  551.9028113  72503 303562235      552134        s-trans-Propenoic acid
  714657.8087  0.0647 -4.3528 3  551.9028113  72503 303562234      552135        s-trans-Propenoic acid
  715033.6839  0.0627 -4.1776 3  501.2735101  72503 303502525      492426        s-trans-Propenoic acid
  715033.6839  0.0627 -4.1776 3  501.2735101  72503 303502526      492425        s-trans-Propenoic acid
  715205.7704  0.1142 -3.9558 3  447.9400 75  72503 3033732 5      3631 6        s-trans-Propenoic acid
  715205.7704  0.1142 -3.9558 3  447.9400 75  72503 3033732 6      3631 5        s-trans-Propenoic acid
  715256.1460  0.1992 -4.9031 3 1287.7397183  72503 303912864      902863        s-trans-Propenoic acid
  715350.1368  0.1421 -4.7881 3 1234.2276181  72503 303902566      892565        s-trans-Propenoic acid
  715355.9737  0.0758 -4.5620 3  610.4137123  72503 303612041      601942        s-trans-Propenoic acid
  715400.2196  0.0628 -4.2863 3  533.3178109  72503 303542332      532231        s-trans-Propenoic acid
  715400.2286  0.0628 -4.2863 3  533.3178109  72503 303542331      532232        s-trans-Propenoic acid
  715440.3539  0.0620 -4.2285 3  516.4630105  72503 303522429      512328        s-trans-Propenoic acid
  715440.3540  0.0620 -4.2285 3  516.4630105  72503 303522428      512329        s-trans-Propenoic acid
  715545.6575  0.1966 -4.9028 3 1287.7535183  72503 303912863      902862        s-trans-Propenoic acid
  715621.4514  0.2993 -5.0315 3 1347.4083185  72503 303923162      913161        s-trans-Propenoic acid
  715622.6817  0.2993 -5.0315 3 1347.4084185  72503 303923161      913160        s-trans-Propenoic acid
  715679.0758  0.4822 -5.2439 3 1442.9218187  72503 303933657      923656        s-trans-Propenoic acid
  715679.0758  0.4822 -5.2439 3 1442.9218187  72503 303933658      923657        s-trans-Propenoic acid
  715773.0109  0.0168 -5.3363 3  334.4107 87  72503 303431627      421428        s-trans-Propenoic acid
  715832.6244  0.0475 -5.2712 3  433.4943103  72503 303511635      501436        s-trans-Propenoic acid
  715845.4974  0.2268 -4.8816 3 1290.3236189  72503 303942174      932173        s-trans-Propenoic acid
  715876.8317  0.2276 -4.8816 3 1290.3211189  72503 303942074      932073        s-trans-Propenoic acid
  716235.9411  0.0215 -5.3979 3  321.7167 87  72503 303431430      421131        s-trans-Propenoic acid
  716428.9738  0.1025 -3.9797 3  452.7953 79  72503 3033931 8      3830 9        s-trans-Propenoic acid
  716428.9738  0.1025 -3.9797 3  452.7953 79  72503 3033931 9      3830 8        s-trans-Propenoic acid
  716514.6679  0.0677 -4.7068 3  635.5851127  72503 303631944      621845        s-trans-Propenoic acid
  716752.1785  0.0165 -5.3353 3  334.3774 87  72503 303431628      421429        s-trans-Propenoic acid
  716990.1399  0.4461 -5.2060 3 1427.4678187  72503 303933559      923558        s-trans-Propenoic acid
  716990.1401  0.4461 -5.2060 3 1427.4678187  72503 303933558      923557        s-trans-Propenoic acid
  717108.9513  0.2910 -5.0634 3 1418.6301219  72503 303A9 6A3      A8 6A2        s-trans-Propenoic acid
  717108.9513  0.2910 -5.5003 3 1418.6301219  72503 303A9 6A3      A8 7A2        s-trans-Propenoic acid
  717108.9513  0.2910 -5.5003 3 1418.6301219  72503 303A9 7A3      A8 6A2        s-trans-Propenoic acid
  717108.9513  0.2910 -5.0634 3 1418.6301219  72503 303A9 7A3      A8 7A2        s-trans-Propenoic acid
  717112.0763  0.2791 -5.0613 3 1414.9634217  72503 303A8 7A1      A7 7A0        s-trans-Propenoic acid
  717112.0763  0.2791 -5.5094 3 1414.9634217  72503 303A8 7A1      A7 8A0        s-trans-Propenoic acid
  717112.0763  0.2791 -5.5094 3 1414.9634217  72503 303A8 8A1      A7 7A0        s-trans-Propenoic acid
  717112.0763  0.2791 -5.0613 3 1414.9634217  72503 303A8 8A1      A7 8A0        s-trans-Propenoic acid
  717112.4347  0.3082 -5.0644 3 1421.7636221  72503 303B0 5A5      A9 5A4        s-trans-Propenoic acid
  717112.4347  0.3082 -5.4908 3 1421.7636221  72503 303B0 5A5      A9 6A4        s-trans-Propenoic acid
  717112.4347  0.3082 -5.4908 3 1421.7636221  72503 303B0 6A5      A9 5A4        s-trans-Propenoic acid
  717112.4347  0.3082 -5.0644 3 1421.7636221  72503 303B0 6A5      A9 6A4        s-trans-Propenoic acid
  717119.8986  0.3318 -5.0643 3 1424.3686223  72503 303B1 4A7      B0 4A6        s-trans-Propenoic acid
  717119.8986  0.3318 -5.4808 3 1424.3686223  72503 303B1 4A7      B0 5A6        s-trans-Propenoic acid
  717119.8986  0.3318 -5.4808 3 1424.3686223  72503 303B1 5A7      B0 4A6        s-trans-Propenoic acid
  717119.8986  0.3318 -5.0643 3 1424.3686223  72503 303B1 5A7      B0 5A6        s-trans-Propenoic acid
  717124.9959  0.2710 -5.0581 3 1410.7581215  72503 303A7 899      A6 898        s-trans-Propenoic acid
  717124.9959  0.2710 -5.5182 3 1410.7581215  72503 303A7 899      A6 998        s-trans-Propenoic acid
  717124.9959  0.2710 -5.5182 3 1410.7581215  72503 303A7 999      A6 898        s-trans-Propenoic acid
  717124.9959  0.2710 -5.0581 3 1410.7581215  72503 303A7 999      A6 998        s-trans-Propenoic acid
  717129.1560  0.3631 -5.0631 3 1426.4490225  72503 303B2 3A9      B1 3A8        s-trans-Propenoic acid
  717129.1560  0.3631 -5.4703 3 1426.4490225  72503 303B2 3A9      B1 4A8        s-trans-Propenoic acid
  717129.1560  0.3631 -5.4703 3 1426.4490225  72503 303B2 4A9      B1 3A8        s-trans-Propenoic acid
  717129.1560  0.3631 -5.0631 3 1426.4490225  72503 303B2 4A9      B1 4A8        s-trans-Propenoic acid
  717138.3720  0.4029 -5.0609 3 1428.0085227  72503 303B3 2B1      B2 2B0        s-trans-Propenoic acid
  717138.3720  0.4029 -5.4592 3 1428.0085227  72503 303B3 2B1      B2 3B0        s-trans-Propenoic acid
  717138.3720  0.4029 -5.4592 3 1428.0085227  72503 303B3 3B1      B2 2B0        s-trans-Propenoic acid
  717138.3720  0.4029 -5.0609 3 1428.0085227  72503 303B3 3B1      B2 3B0        s-trans-Propenoic acid
  717145.9942  0.4523 -5.0577 3 1429.0499229  72503 303B4 1B3      B3 1B2        s-trans-Propenoic acid
  717145.9942  0.4523 -5.4476 3 1429.0499229  72503 303B4 1B3      B3 2B2        s-trans-Propenoic acid
  717145.9942  0.4523 -5.4476 3 1429.0499229  72503 303B4 2B3      B3 1B2        s-trans-Propenoic acid
  717145.9942  0.4523 -5.0577 3 1429.0499229  72503 303B4 2B3      B3 2B2        s-trans-Propenoic acid
  717150.6991  0.5119 -5.0534 3 1429.5761231  72503 303B5 0B5      B4 0B4        s-trans-Propenoic acid
  717150.6991  0.5119 -5.4354 3 1429.5761231  72503 303B5 0B5      B4 1B4        s-trans-Propenoic acid
  717150.6991  0.5119 -5.4354 3 1429.5761231  72503 303B5 1B5      B4 0B4        s-trans-Propenoic acid
  717150.6991  0.5119 -5.0534 3 1429.5761231  72503 303B5 1B5      B4 1B4        s-trans-Propenoic acid
  717151.6100  0.2657 -5.0538 3 1406.0080213  72503 303A6 997      A5 996        s-trans-Propenoic acid
  717151.6100  0.2657 -5.5267 3 1406.0080213  72503 303A6 997      A51096        s-trans-Propenoic acid
  717151.6100  0.2657 -5.5267 3 1406.0080213  72503 303A61097      A5 996        s-trans-Propenoic acid
  717151.6100  0.2657 -5.0538 3 1406.0080213  72503 303A61097      A51096        s-trans-Propenoic acid
  717196.7419  0.2623 -5.0484 3 1400.7058211  72503 303A51095      A41094        s-trans-Propenoic acid
  717196.7419  0.2623 -5.5349 3 1400.7058211  72503 303A51095      A41194        s-trans-Propenoic acid
  717196.7419  0.2623 -5.5349 3 1400.7058211  72503 303A51195      A41094        s-trans-Propenoic acid
  717196.7419  0.2623 -5.0484 3 1400.7058211  72503 303A51195      A41194        s-trans-Propenoic acid
  717266.4265  0.2598 -5.0418 3 1394.8430209  72503 303A41193      A31192        s-trans-Propenoic acid
  717266.4265  0.2598 -5.0418 3 1394.8430209  72503 303A41293      A31292        s-trans-Propenoic acid
  717368.3140  0.2579 -5.0340 3 1388.4095207  72503 303A31291      A21290        s-trans-Propenoic acid
  717368.3140  0.2579 -5.0340 3 1388.4095207  72503 303A31391      A21390        s-trans-Propenoic acid
  717459.4744  0.0529 -4.9641 3  466.9693109  72503 303541440      531341        s-trans-Propenoic acid
  717512.2492  0.2561 -5.0249 3 1381.3935205  72503 303A21389      A11388        s-trans-Propenoic acid
  717512.2492  0.2561 -5.0249 3 1381.3935205  72503 303A21489      A11488        s-trans-Propenoic acid
  717626.2599  0.0923 -4.0065 3  459.1571 83  72503 303413011      402912        s-trans-Propenoic acid
  717626.2599  0.0923 -4.0065 3  459.1571 83  72503 303413012      402911        s-trans-Propenoic acid
  717711.1263  0.2542 -5.0146 3 1373.7807203  72503 303A11487      A01486        s-trans-Propenoic acid
  717711.1263  0.2542 -5.0146 3 1373.7807203  72503 303A11587      A01586        s-trans-Propenoic acid
  717748.4145  0.7368 -5.5283 3 1570.2601189  72503 303944252      934251        s-trans-Propenoic acid
  717748.4145  0.7368 -5.5283 3 1570.2601189  72503 303944253      934252        s-trans-Propenoic acid
  717807.9089  0.2240 -4.8582 3 1277.5836187  72503 303932272      922271        s-trans-Propenoic acid
  717891.2562  0.0151 -4.9958 3  370.8627 97  72503 303481137      471038        s-trans-Propenoic acid
  717982.1914  0.2520 -5.0029 3 1365.5536201  72503 303A01585      991584        s-trans-Propenoic acid
  717982.1914  0.2520 -5.0029 3 1365.5536201  72503 303A01685      991684        s-trans-Propenoic acid
  717989.6141  0.2666 -4.9989 3 1334.7960185  72503 303923063      913062        s-trans-Propenoic acid
  717999.8081  0.2664 -4.9989 3 1334.7964185  72503 303923062      913061        s-trans-Propenoic acid
  718160.0513  0.2316 -4.8577 3 1277.5532187  72503 303932172      922171        s-trans-Propenoic acid
  718162.1145  0.0149 -5.3487 3  370.8537 97  72503 303481137      47 938        s-trans-Propenoic acid
  718304.5015  0.1401 -4.8071 3 1243.7921181  72503 303902664      892663        s-trans-Propenoic acid
  718313.5226  0.4443 -5.2256 3  890.8534153  72503 303762156      752055        s-trans-Propenoic acid
  718349.1097  0.2495 -4.9897 3 1356.6910199  72503 303991783      981782        s-trans-Propenoic acid
  718349.1099  0.2495 -4.9897 3 1356.6910199  72503 303991683      981682        s-trans-Propenoic acid
  718448.0406  0.4105 -5.1692 3 1412.5601187  72503 303933460      923459        s-trans-Propenoic acid
  718448.0430  0.4105 -5.1692 3 1412.5601187  72503 303933459      923458        s-trans-Propenoic acid
  718468.8336  0.2575 -4.7880 3 1239.5824183  72503 303912269      902268        s-trans-Propenoic acid
  718564.8781  0.6949 -5.4837 3 1551.7432189  72503 303944153      934152        s-trans-Propenoic acid
  718564.8781  0.6949 -5.4837 3 1551.7432189  72503 303944154      934153        s-trans-Propenoic acid
  718781.9994  0.0835 -4.0365 3  467.0355 87  72503 303432914      422815        s-trans-Propenoic acid
  718781.9994  0.0835 -4.0365 3  467.0355 87  72503 303432915      422814        s-trans-Propenoic acid
  718801.6459  0.2285 -4.9430 3  748.0095139  72503 303692050      681949        s-trans-Propenoic acid
  718845.4100  0.2467 -4.9750 3 1347.1657197  72503 303981881      971880        s-trans-Propenoic acid
  718845.4135  0.2467 -4.9750 3 1347.1657197  72503 303981781      971780        s-trans-Propenoic acid
  718859.5967  0.1719 -4.8735 3 1277.1334183  72503 303912765      902764        s-trans-Propenoic acid
  718866.6810  0.0856 -4.5992 3  626.4871125  72503 303622043      611942        s-trans-Propenoic acid
  719035.2883  0.1495 -4.7409 3 1211.5310179  72503 303892564      882563        s-trans-Propenoic acid
  719270.0201  0.0726 -4.4591 3  587.3796119  72503 303592139      582038        s-trans-Propenoic acid
  719327.6223  0.0726 -4.4590 3  587.3780119  72503 303592138      582039        s-trans-Propenoic acid
  719443.4002  0.6538 -5.4403 3 1533.7272189  72503 303944054      934053        s-trans-Propenoic acid
  719443.4002  0.6538 -5.4403 3 1533.7272189  72503 303944055      934054        s-trans-Propenoic acid
  719520.5707  0.2438 -4.9586 3 1336.9430195  72503 303971979      961978        s-trans-Propenoic acid
  719520.6439  0.2438 -4.9586 3 1336.9430195  72503 303971879      961878        s-trans-Propenoic acid
  719659.6706  0.0211 -5.2529 3  400.5798 99  72503 303491535      481336        s-trans-Propenoic acid
  719773.2767  0.0183 -5.3242 3  345.6676 89  72503 303441628      431429        s-trans-Propenoic acid
  719873.6769  0.0764 -4.0701 3  476.4431 91  72503 303452817      442718        s-trans-Propenoic acid
  719873.6769  0.0764 -4.0701 3  476.4431 91  72503 303452818      442717        s-trans-Propenoic acid